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Revision 1.17 - (download) (annotate)
Mon Aug 1 12:09:44 2011 UTC (2 years, 11 months ago) by ccb
Branch: MAIN
CVS Tags: post-merge-30_07_11, release-6_2_991
Changes since 1.16: +8 -6 lines
 update trunk to refmac dictionary version 5.28
global
_lib_name      mon_lib
_lib_version   5.28
_lib_update   10/04/11
---------------------------------

#
# ---   LIST OF MONOMERS ---
#
data_comp_list
loop_
    _chem_comp.id
    _chem_comp.three_letter_code
    _chem_comp.name
    _chem_comp.group
    _chem_comp.number_atoms_all
    _chem_comp.number_atoms_nh
    _chem_comp.desc_level
000      000 'methyl hydrogen carbonate           ' non-polymer         9   5 .
001      001 '"1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY' non-polymer        87  45 .
002      002 'N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-' non-polymer        66  32 .
003      003 '5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHT' non-polymer        58  33 .
004      004 '(2S)-amino(phenyl)ethanoic acid     ' peptide            19  11 .
005      005 '(2S,3S)-3-amino-2-hydroxy-4-phenylbu' non-polymer        26  14 .
006      006 '(4R)-3-[(2S,3S)-3-{[(2,6-dimethylphe' non-polymer        86  45 .
007      007 '1-METHYLAMINE-1-BENZYL-CYCLOPENTANE ' non-polymer        30  13 .
008      008 '"(S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHEN' non-polymer        48  26 .
009      009 '(4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzy' non-polymer        88  45 .
00A      00A '5'-O-[(S)-{[(4-chlorophenyl)carbonyl' non-polymer        48  32 .
00B      00B '(4R)-5,5-dimethyl-1,3-thiazolidine-4' non-polymer        20  10 .
00C      00C '3-sulfo-D-alanine                   ' non-polymer        16  10 .
00G      00G '5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indo' non-polymer        31  17 .
012      012 '(4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dime' non-polymer        79  40 .
017      017 '"(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FU' non-polymer        75  38 .
018      018 '2-nitro-N-(thiophen-3-ylmethyl)-4-(t' non-polymer        29  20 .
01A      01A '4-Chlorophenacyl-coenzyme A         ' non-polymer        95  58 .
01G      01G '.                                   ' non-polymer        57  38 .
01I      01I '.                                   ' non-polymer        28  22 .
01K      01K '.                                   ' non-polymer       113  64 .
01W      01W '(2S)-2-ammonio-4-[(2,4-dinitrophenyl' peptide            32  20 .
020      020 'N-(furan-2-ylmethyl)-2-nitro-4-(trif' non-polymer        29  20 .
023      023 'N^2^-[(2R)-2-{(1S)-1-[FORMYL(HYDROXY' non-polymer        61  28 .
024      024 '"4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CY' non-polymer        45  27 .
028      028 '(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSP' non-polymer        34  16 .
031      031 '"(3aS,5R,6aR)-hexahydro-2H-cyclopent' non-polymer        81  42 .
032      032 'N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo' non-polymer        51  33 .
033      033 '"N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)' non-polymer        58  35 .
039      039 '2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLO' non-polymer        46  31 .
03R      03R '"2-({6-{3-[AMINO(IMINO)METHYL]PHENOX' non-polymer        64  39 .
041      041 '2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL' non-polymer        30  20 .
042      042 'N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN' non-polymer        51  26 .
047      047 '1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-' non-polymer        53  25 .
055      055 '"(2S)-{[(3-{[(2-chloro-6-methylpheny' non-polymer        56  35 .
057      057 'N-(2-hydroxy-1,1-dimethylethyl)-1-me' non-polymer        49  27 .
059      059 '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(' non-polymer        62  32 .
061      061 '"2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZO' non-polymer        58  34 .
062      062 '"3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL' non-polymer        60  35 .
064      064 '"3-[(E)-2-(2-chloro-4-{[3-(2,6-dichl' non-polymer        57  36 .
065      065 '(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FUR' non-polymer        76  40 .
066      066 '6-{[3-(dimethylcarbamoyl)phenyl]sulf' non-polymer        63  37 .
068      068 '.                                   ' non-polymer        42  23 .
069      069 'N,3-DIHYDROXYBENZAMIDE              ' non-polymer        18  11 .
071      071 '8-{[2-methoxy-5-(4-methylpiperazin-1' non-polymer        61  33 .
072      072 '(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)B' non-polymer        89  44 .
073      073 '"(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZO' non-polymer        71  43 .
074      074 '[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIO' non-polymer        57  27 .
075      075 '.                                   ' non-polymer       101  56 .
077      077 '(3S)-5-biphenyl-4-yl-3-hydroxypentan' non-polymer        37  20 .
084      084 '4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMI' non-polymer        66  37 .
088      088 '"3-[(5-{[3-(2,6-dichlorophenyl)-5-(1' non-polymer        60  37 .
090      090 'N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[' non-polymer        42  26 .
093      093 'N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSUL' non-polymer        40  24 .
094      094 '1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLU' non-polymer        52  34 .
096      096 '(2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-' non-polymer        61  31 .
097      097 '(2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(m' non-polymer        52  23 .
098      098 '(3R)-N~2~-(cyclopropylmethyl)-N~1~-h' non-polymer        61  32 .
099      099 '(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl' non-polymer        49  27 .
0A0      0A0 '2-methyl-L-aspartic acid            ' peptide            17  10 .
0A1      0A1 'O-methyl-L-tyrosine                 ' peptide            26  14 .
0A2      0A2 '[(1R)-1,5-diaminopentyl][bis(ethanol' non-polymer        39  15 .
0A3      0A3 '"(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-t' non-polymer        42  27 .
0A4      0A4 '"(2R)-2-{(R)-carboxy[(thiophen-2-yla' non-polymer        35  23 .
0A5      0A5 '4-bromobutanoic acid                ' non-polymer        13   7 .
0A6      0A6 '(3R)-4-ethoxy-3-hydroxy-4-oxobutanoi' non-polymer        20  11 .
0A7      0A7 '2-(carboxymethyl)benzoic acid       ' non-polymer        19  13 .
0A8      0A8 'S-[(2-chloroethyl)carbamoyl]-L-cyste' peptide            23  13 .
0A9      0A9 'methyl L-phenylalaninate            ' non-polymer        26  13 .
0AB      0AB '(3S,4S)-3-amino-4-methyl-3,4-dihydro' non-polymer        18   9 .
0AD      0AD '.                                   ' DNA                44  26 .
0AF      0AF '7-hydroxy-L-tryptophan              ' peptide            27  16 .
0AG      0AG 'N-(ethoxycarbonyl)-L-leucine        ' non-polymer        30  14 .
0AH      0AH 'O-(bromoacetyl)-L-serine            ' peptide            18  11 .
0AI      0AI 'methyl 2-(acetylamino)-2-deoxy-alpha' non-polymer        31  17 .
0AJ      0AJ '(1R)-1-(ethylsulfanyl)-1-(methylsulf' non-polymer        19   7 .
0AK      0AK '(2S)-2-amino-4-(2-chloroethoxy)-4-ox' peptide            21  12 .
0AO      0AO '(2S)-2-amino-3-naphthalen-1-ylpropan' non-polymer        28  15 .
0AP      0AP '.                                   ' DNA                35  24 .
0AS      0AS 'asiatic acid                        ' non-polymer        82  35 .
0AY      0AY 'diethyl [(1R)-1,5-diaminopentyl]boro' non-polymer        37  14 .
0AZ      0AZ '(4R)-4-hydroxy-L-proline            ' P-peptide          17   9 .
0BD      0BD '"3-methyl-1-(2-methylpropyl)butyl 4-' non-polymer        72  32 .
0BI      0BI '(4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-m' non-polymer        87  42 .
0BN      0BN '4-carbamimidoyl-L-phenylalanine     ' peptide            27  15 .
0C       0C  'L-CYTIDINE-5'-MONOPHOSPHATE         ' non-polymer        33  21 .
0CE      0CE '2-methyl-11-(1-methylethyl)-8-[(2S)-' non-polymer        62  34 .
0CL      0CL '1,3-dichloropropane                 ' non-polymer        11   5 .
0CO      0CO '(1S,3R,5Z,7E,14beta,17alpha,23R)-23-' non-polymer        76  32 .
0CP      0CP '5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-' non-polymer        47  23 .
0CR      0CR '"MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-' non-polymer       175 103 .
0CS      0CS '3-[(S)-HYDROPEROXYSULFINYL]-L-ALANIN' peptide            16  10 .
0D5      0D5 '.                                   ' non-polymer       144  71 .
0DC      0DC '.                                   ' non-polymer        32  20 .
0DG      0DG '.                                   ' non-polymer        35  23 .
0DT      0DT '.                                   ' non-polymer        34  21 .
0E2      0E2 'N-acetyl-L-valyl-O-benzyl-L-threonyl' non-polymer        95  44 .
0E3      0E3 'N-acetyl-L-valyl-O-benzyl-L-threonyl' non-polymer        93  44 .
0E4      0E4 'N-acetyl-L-tyrosyl-L-valyl-L-alanyl-' non-polymer        66  35 .
0EZ      0EZ '"tert-butyl [(1S,2S)-1-benzyl-2-hydr' non-polymer        91  43 .
0FA      0FA 'N~2~-phosphono-L-leucinamide        ' non-polymer        28  13 .
0G6      0G6 '"D-phenylalanyl-N-[(2S,3S)-6-{[amino' non-polymer        65  31 .
0G       0G  'L-GUANOSINE-5'-MONOPHOSPHATE        ' non-polymer        36  24 .
0HG      0HG 'N-[(4S)-4-ammonio-4-carboxybutanoyl]' non-polymer        49  28 .
0IN      0IN '7-(pyridin-3-ylmethyl)quinolin-8-ol ' non-polymer        30  18 .
0JZ      0JZ '(4R,5R,11R,12R,18R,19S)-4,11,18-tris' non-polymer        72  36 .
0LI      0LI '"3-(imidazo[1,2-b]pyridazin-3-ylethy' non-polymer        66  39 .
0MA      0MA 'maslinic acid                       ' non-polymer        79  34 .
0MO      0MO '(4R)-4-(3-butoxy-4-methoxybenzyl)imi' non-polymer        42  20 .
0NC      0NC 'N-methyl-L-alaninamide              ' non-polymer        17   7 .
0PA      0PA 'cyclopentylacetic acid              ' non-polymer        20   9 .
0PJ      0PJ 'N-[(S)-({[(benzyloxy)carbonyl]amino}' non-polymer        65  32 .
0PN      0PN 'N-[(benzyloxy)carbonyl]-L-valyl-L-al' non-polymer        79  40 .
0PQ      0PQ 'N-{(2R)-3-[(S)-[(1R)-1-amino-2-pheny' non-polymer        65  35 .
0PY      0PY 'pyridine                            ' non-polymer        11   6 .
0U       0U  'L-URIDINE-5'-MONOPHOSPHATE          ' non-polymer        32  21 .
0UN      0UN 'N-{3-[(5-chloro-2-{[2-methoxy-4-(4-m' non-polymer        62  35 .
0YG      0YG 'N-[(2Z)-2-amino-3-(4-hydroxyphenyl)p' non-polymer        28  17 .
0Z6      0Z6 '"D-phenylalanyl-N-[(2S,3S)-6-{[amino' non-polymer        71  35 .
100      100 '1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(' non-polymer        28  20 .
101      101 '.                                   ' non-polymer        34  22 .
102      102 'GAMMA-DEOXY-GAMMA-SULFO-GUANOSINE-5'' non-polymer        46  32 .
103      103 '.                                   ' non-polymer        33  21 .
104      104 'N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIA' non-polymer        28  10 .
105      105 'N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CA' non-polymer        32  20 .
106      106 '4-(5-BROMO-2-OXO-2H-INDOL-3-YLAZO)-B' non-polymer        32  23 .
107      107 '4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-' non-polymer        46  31 .
108      108 '2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLA' non-polymer        31  17 .
109      109 '2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLA' non-polymer        31  17 .
10A      10A 'DIDECYL-DIMETHYL-AMMONIUM           ' non-polymer        71  23 .
10C      10C '"4-AMINO-1-{2,5-ANHYDRO-4-[(PHOSPHON' non-polymer        34  22 .
10F      10F '"N-({4-[{[(2R,4S,4aR,6S,8aS)-2-amino' non-polymer        61  34 .
10M      10M 'decyl 4-O-alpha-D-glucopyranosyl-1-t' non-polymer        75  33 .
10U      10U '(S)-N-(4-carbamimidoylbenzyl)-1-(2-(' non-polymer        56  27 .
110      110 '"3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-' non-polymer        78  40 .
111      111 '(1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N' non-polymer        53  28 .
112      112 'THIOPHOSPHORIC ACID O-((ADENOSYL-PHO' non-polymer        52  35 .
113      113 '"7,8-DIHYDROXY-1-METHOXY-3-METHYL-10' non-polymer        36  23 .
114      114 'COMPACTIN                           ' non-polymer        64  29 .
115      115 '7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-1' non-polymer        57  30 .
116      116 '"7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMET' non-polymer        68  33 .
117      117 '"7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-' non-polymer        75  41 .
118      118 'TETRAPHENYLANTIMONIUM ION           ' non-polymer        45  25 .
11B      11B '"(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHY' non-polymer        65  35 .
11F      11F '5-[(3S)-3-(2-methoxybiphenyl-4-yl)bu' non-polymer        49  27 .
11M      11M '"1-(1'-{[3-(methylsulfanyl)-2-benzot' non-polymer        53  29 .
11N      11N '1-[1'-(3-phenylacryloyl)spiro[1-benz' non-polymer        50  26 .
11O      11O '(TRANS-12,13-EPOXY)-11-HYDROXY-9(Z)-' non-polymer        53  22 .
11P      11P '"[(7R)-6,7-dihydro-5H-cyclopenta[c]p' non-polymer        32  19 .
11R      11R 'RUTHENIUM WIRE, 11 CARBON LINKER    ' non-polymer       135  60 .
11S      11S '5-chloro-1H-indole                  ' non-polymer        16  10 .
11U      11U '(S)-N-(4-carbamimidoylbenzyl)-1-(2-(' non-polymer        59  28 .
11X      11X 'N-(pyridin-3-ylmethyl)aniline       ' non-polymer        26  14 .
120      120 '2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1' non-polymer        31  19 .
121      121 '2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOI' non-polymer        31  19 .
122      122 '2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZO' non-polymer        32  19 .
123      123 '2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BE' non-polymer        36  21 .
124      124 '2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CAR' non-polymer        33  19 .
125      125 '2'-O-FLUOROETHYL-5-METHYL-URIDINE-5'' RNA                41  25 .
126      126 '2'-O-METHYL-[TRI(OXYETHYL)]-5-METHYL' RNA                59  32 .
127      127 '2'-O-AMINOOXY-ETHYL-5-METHYL-URIDINE' RNA                44  26 .
128      128 'SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O' non-polymer        59  46 .
129      129 '[2(FORMYL-HYDROXY-AMINO)-ETHYL]-PHOS' non-polymer        18  10 .
12A      12A '2-METHYLTHIO-N6-(AMINOCARBONYL-L-THR' RNA                55  35 .
12B      12B 'BENZO[CD]INDOL-2(1H)-ONE            ' non-polymer        20  13 .
12C      12C '4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLA' non-polymer        52  30 .
12D      12D '.                                   ' non-polymer        55  42 .
12F      12F '.                                   ' non-polymer       118  72 .
12H      12H '12-HYDROXYDODECANOIC ACID           ' non-polymer        38  15 .
12M      12M '(2-ETHYLPHENYL)METHANOL             ' non-polymer        22  10 .
12P      12P 'DODECAETHYLENE GLYCOL               ' non-polymer        87  37 .
12Q      12Q '1-METHYLQUINOLIN-2(1H)-ONE          ' non-polymer        21  12 .
12U      12U 'N-cycloheptylglycyl-N-(4-carbamimido' non-polymer        62  29 .
130      130 '2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDA' non-polymer        41  25 .
132      132 '6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)' non-polymer        43  26 .
133      133 '6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PH' non-polymer        44  25 .
134      134 '6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CY' non-polymer        52  28 .
135      135 'N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY' non-polymer        32  19 .
136      136 'N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2' non-polymer        35  22 .
137      137 '1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-' non-polymer        38  23 .
138      138 '.                                   ' non-polymer        85  52 .
139      139 '.                                   ' non-polymer        65  42 .
13A      13A '7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTET' non-polymer        33  21 .
13D      13D '1,3-DIAMINOPROPANE                  ' non-polymer        15   5 .
13P      13P '1,3-DIHYDROXYACETONEPHOSPHATE       ' non-polymer        15  10 .
13R      13R '13(R)-HYDROPEROXY-9(Z),11(E)-OCTADEC' non-polymer        53  22 .
13S      13S '13(S)-HYDROPEROXY-9(Z),11(E)-OCTADEC' non-polymer        53  22 .
13T      13T '13-DEOXYTEDANOLIDE                  ' non-polymer        92  42 .
13U      13U 'N-cyclooctylglycyl-N-(4-carbamimidoy' non-polymer        65  30 .
13Z      13Z '2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-' non-polymer        55  26 .
140      140 'N-PALMITOYLGLYCINE                  ' non-polymer        56  22 .
141      141 'PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIONE ' non-polymer        13  11 .
142      142 'CARBIDOPA                           ' non-polymer        29  16 .
143      143 'S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL' peptide            28  17 .
144      144 'TRIS-HYDROXYMETHYL-METHYL-AMMONIUM  ' non-polymer        20   8 .
145      145 '1-O-[O-NITROPHENYL]-BETA-D-GALACTOPY' non-polymer        36  21 .
146      146 '"[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-' non-polymer       106  62 .
147      147 '1-O-[P-NITROPHENYL]-BETA-D-GALACTOPY' pyranose           36  21 .
149      149 'D-galactonolactone                  ' pyranose           22  12 .
14A      14A 'N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-' non-polymer        54  27 .
14C      14C '2-(2-chloropyridin-4-yl)-4-methyl-1H' non-polymer        28  19 .
14H      14H 'N-[(1R,3R)-3-hydroxy-1-(hydroxymethy' non-polymer        69  28 .
14I      14I '.                                   ' non-polymer        28  22 .
14O      14O '5-fluoro-1H-indole                  ' non-polymer        16  10 .
14T      14T '3,4-DIFLUOROPHENYL 2-DEOXY-2-[(DIFLU' non-polymer        40  25 .
14W      14W 'N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE' non-polymer        28  13 .
150      150 '4,5-DIMETHYL-1,2-PHENYLENEDIAMINE   ' non-polymer        22  10 .
151      151 '"(2S)-3-METHYL-2-((2R,3S)-3-[(METHYL' non-polymer        59  30 .
152      152 'CARNITINE                           ' non-polymer        26  11 .
153      153 '"(2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-T' non-polymer        50  33 .
154      154 '"(2S)-2-[(5-BENZOFURAN-2-YL-THIOPHEN' non-polymer        57  37 .
155      155 '6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOP' non-polymer        53  29 .
156      156 '"4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6' non-polymer        52  27 .
157      157 '6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPT' non-polymer        38  16 .
158      158 '3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PEN' non-polymer        23  13 .
159      159 '2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMO' non-polymer        27  17 .
15A      15A '(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)im' non-polymer        32  15 .
15B      15B 'N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1' non-polymer        74  37 .
15C      15C '2-(4-acetylphenyl)-4-methyl-1H-isoin' non-polymer        34  21 .
15M      15M '(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-' non-polymer        67  30 .
15P      15P 'POLYETHYLENE GLYCOL (N=34)          ' non-polymer       244 104 .
15X      15X '1-{4-[(2-fluoro-6-methoxy-3'-nitrobi' non-polymer        47  29 .
160      160 '"3-(3-{2-[(5-METHANESULFONYL-THIOPHE' non-polymer        58  35 .
161      161 '"5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLC' non-polymer        50  32 .
162      162 '"(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H' non-polymer        64  33 .
163      163 '"(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H' non-polymer        64  33 .
164      164 '2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYC' non-polymer        27  17 .
165      165 'N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANY' non-polymer        74  39 .
166      166 '6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HY' non-polymer        53  28 .
167      167 '6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-ME' non-polymer        56  29 .
168      168 'PANTOTHENYL-AMINOETHANOL-ACETATE PIV' non-polymer        59  27 .
169      169 '"1-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE' non-polymer        62  30 .
16A      16A 'CETYL-TRIMETHYL-AMMONIUM            ' non-polymer        62  20 .
16C      16C 'N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-' non-polymer       105  38 .
16D      16D 'HEXANE-1,6-DIAMINE                  ' non-polymer        24   8 .
16G      16G 'N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE  ' pyranose           33  19 .
16H      16H 'N-[(1R,3R)-3-hydroxy-1-(hydroxymethy' non-polymer        75  30 .
16P      16P '3,6,9,12,15,18-HEXAOXAICOSANE       ' non-polymer        50  20 .
16U      16U 'N-(3-chlorobenzyl)-1-(4-methylpentan' non-polymer        48  23 .
16X      16X '4-(2-amino-4-methyl-1,3-thiazol-5-yl' non-polymer        35  23 .
170      170 '(2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-O' non-polymer        54  37 .
171      171 '2-PHENYLAMINO-ETHANESULFONIC ACID   ' non-polymer        24  13 .
172      172 '2-AMINO-5-HYDROXY-BENZIMIDAZOLE     ' non-polymer        18  11 .
173      173 'BENZOYL-FORMIC ACID                 ' non-polymer        16  11 .
174      174 '4-CHLORO-BENZOIC ACID               ' non-polymer        14  10 .
175      175 '3,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZO' non-polymer        30  15 .
176      176 '"1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-' non-polymer        61  34 .
177      177 '"1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYR' non-polymer        68  33 .
178      178 '4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-' non-polymer        43  21 .
179      179 'N-[(naphthalen-2-ylamino)(oxo)acetyl' non-polymer        47  27 .
17A      17A '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(' non-polymer        66  36 .
17B      17B '(2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)im' non-polymer        38  17 .
17H      17H '17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-P' non-polymer        51  23 .
17M      17M '17-METHYL-17-ALPHA-DIHYDROEQUILENIN ' non-polymer        43  21 .
17R      17R '(2R)-4-[4-fluoro-2-(trifluoromethyl)' non-polymer        51  32 .
180      180 '"2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-' non-polymer        59  34 .
181      181 '1-((2-HYDROXYETHOXY)METHYL)-5-(PHENY' non-polymer        34  20 .
182      182 '1-((2-HYDROXYETHOXY)METHYL)-5-(PHENY' non-polymer        34  20 .
183      183 '1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BE' non-polymer        50  28 .
184      184 '"6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6' non-polymer        56  29 .
185      185 '(6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHEN' non-polymer        45  29 .
186      186 '"[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLC' non-polymer        54  30 .
187      187 '1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[' non-polymer        54  37 .
188      188 'PYOCHELIN FE(III)                   ' non-polymer        36  22 .
189      189 'N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[' non-polymer        84  41 .
18B      18B '.                                   ' non-polymer        77  43 .
18C      18C 'N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-' non-polymer       111  40 .
18D      18D '"3,5-DIDEOXY-5-(PROPANOYLAMINO)-D-GL' non-polymer        42  22 .
18N      18N '1H-benzo[de]isoquinoline-1,3(2H)-dio' non-polymer        22  15 .
190      190 'N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROM' non-polymer        77  40 .
191      191 'PROPIONYL COENZYME A                ' non-polymer        89  52 .
192      192 '1-AMINOCYCLOBUTANECARBOXLIC ACID    ' non-polymer        16   8 .
193      193 '(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUT' peptide            27  13 .
194      194 '4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}' non-polymer        43  31 .
195      195 '4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHE' non-polymer        59  43 .
196      196 '3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDRO' non-polymer        31  21 .
197      197 '"4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YL' non-polymer        73  41 .
198      198 'R-BICALUTAMIDE                      ' non-polymer        43  29 .
199      199 'N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHEN' non-polymer        55  31 .
19A      19A 'N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-' non-polymer        37  21 .
19B      19B '4-methyl-N-(3-morpholin-4-ylphenyl)-' non-polymer        69  37 .
19U      19U '1-[(2R)-2-aminobutanoyl]-N-(3-chloro' non-polymer        44  22 .
1A2      1A2 '"5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO' non-polymer        52  30 .
1AA      1AA '"5'-O-[({[(2-{[(2-AMINOPHENYL)CARBON' non-polymer        59  37 .
1AB      1AB '1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL  ' non-polymer        20   9 .
1AC      1AC '1-AMINOCYCLOPROPANECARBOXYLIC ACID  ' non-polymer        13   7 .
1AD      1AD '(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PR' non-polymer        44  19 .
1AE      1AE '(1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DI' non-polymer        22  13 .
1AF      1AF '2,4-BIS{[4-(N-CYCLOPENTYLDIAMINOMETH' non-polymer        69  33 .
1AH      1AH '3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-' non-polymer        86  45 .
1AL      1AL 'ALLANTOATE ION                      ' non-polymer        19  12 .
1AN      1AN '2-FLUOROANILINE                     ' non-polymer        14   8 .
1AP      1AP '2,6-DIAMINOPURINE NUCLEOTIDE        ' DNA                36  23 .
1AR      1AR '4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-AL' pyranose           30  14 .
1AU      1AU '1-[1-(3-aminophenyl)-3-tert-butyl-1H' non-polymer        55  30 .
1AW      1AW '1-[1-(3-aminophenyl)-3-tert-butyl-1H' non-polymer        49  26 .
1AZ      1AZ '1-(3,4-dichlorobenzyl)-3,7-dimethyl-' non-polymer        47  28 .
1BA      1BA '4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZ' non-polymer        41  21 .
1BD      1BD '3-[({(1E)-[2-(trifluoromethyl)phenyl' non-polymer        27  18 .
1BH      1BH 'N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-' non-polymer        67  34 .
1BM      1BM '3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-{[2-(' non-polymer        61  32 .
1BN      1BN '1-BENZYL-1H-IMIDAZOLE               ' non-polymer        22  12 .
1BO      1BO '1-BUTANOL                           ' non-polymer        15   5 .
1BP      1BP '1-BROMOPROPANE-2-OL                 ' non-polymer        12   5 .
1BU      1BU '1-{4-[(6-aminoquinazolin-4-yl)amino]' non-polymer        68  38 .
1BY      1BY '[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIY' non-polymer        29  17 .
1C2      1C2 '"3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3' non-polymer        49  26 .
1C5      1C5 '[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GL' non-polymer        77  41 .
1CA      1CA 'DESOXYCORTICOSTERONE                ' non-polymer        54  24 .
1CB      1CB 'CYCLOPENTANAMINE                    ' non-polymer        17   6 .
1CD      1CD '(13R,15S)-13-METHYL-16-OXA-8,9,12,22' non-polymer        51  30 .
1CE      1CE '3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-t' non-polymer        32  20 .
1CI      1CI '1-(4-CHLOROPHENYL)-1H-IMIDAZOLE     ' non-polymer        19  12 .
1CM      1CM '(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMI' non-polymer        34  18 .
1CN      1CN '5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL' non-polymer        29  22 .
1CP      1CP 'COPROPORPHYRIN I                    ' non-polymer        88  48 .
1CR      1CR '"PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-' non-polymer       175 103 .
1CS      1CS '1-(2-CHLOROPHENYLSULFONYL)-3-(4-METH' non-polymer        35  23 .
1CX      1CX '(5S)-4,5-difluoro-6-[(2-fluoro-4-iod' non-polymer        36  24 .
1CY      1CY '1-(4-chlorophenyl)-6,6-dimethyl-1,6-' non-polymer        31  17 .
1D2      1D2 'CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMET' non-polymer        63  24 .
1D4      1D4 'CYCLOTRIDECYL 3,4,6-TRIDEOXY-3-(DIME' non-polymer        66  25 .
1DA      1DA '1-DEAZA-ADENOSINE                   ' non-polymer        33  19 .
1DB      1DB '1-DECANE-SULFONIC-ACID              ' non-polymer        36  14 .
1DG      1DG '(4R)-ISONICOTINIC-ACETYL-NICOTINAMID' non-polymer        85  56 .
1DM      1DM 'N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YL' non-polymer        75  39 .
1DO      1DO '1-DODECANOL                         ' non-polymer        39  13 .
1DP      1DP 'N1-deaza-adenosine-5'-monophosphate ' non-polymer        36  23 .
1DR      1DR '1,10-dihydropyrrolo[2,3-a]carbazole-' non-polymer        28  18 .
1EM      1EM '(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHY' non-polymer        81  31 .
1EU      1EU '1-(4-acetyl-6-pyridin-3-yl-1H-benzim' non-polymer        41  24 .
1F1      1F1 '1H-indole-6-carboxylic acid         ' non-polymer        18  12 .
1FA      1FA '"[(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-' non-polymer        68  42 .
1FH      1FH '12-PHENYLHEME                       ' non-polymer        85  49 .
1FL      1FL '5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BEN' non-polymer        25  18 .
1FN      1FN '1-(4-fluorophenyl)-N-[3-fluoro-4-(1H' non-polymer        50  34 .
1FR      1FR '3-[3-chloro-5-(5-{[(1S)-1-phenylethy' non-polymer        51  29 .
1GK      1GK 'N-(furan-2-ylmethyl)-4-[(2-methylphe' non-polymer        39  23 .
1GL      1GL '4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALAC' pyranose           25  11 .
1GN      1GN '2-DEOXY-2-AMINOGALACTOSE            ' pyranose           25  12 .
1GP      1GP 'SN-GLYCEROL-1-PHOSPHATE             ' non-polymer        17  10 .
1GW      1GW '5-(2-FORMYLTHIEN-5-YL)-URIDINE-5'-DI' non-polymer        67  43 .
1HP      1HP '4-(2-amino-1-methyl-1H-imidazo[4,5-b' non-polymer        30  18 .
1IG      1IG 'N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDI' non-polymer        55  29 .
1IN      1IN '"1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-' non-polymer        96  45 .
1IP      1IP 'N~2~-(PHOSPHONOACETYL)-L-ASPARAGINE ' non-polymer        26  16 .
1IQ      1IQ '"2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-D' non-polymer        39  23 .
1JZ      1JZ '1-[4-(hydroxymethyl)phenyl]guanidine' non-polymer        23  12 .
1L2      1L2 '"(2S)-3-(alpha-D-galactopyranosyloxy' non-polymer       135  55 .
1LG      1LG '2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETR' non-polymer        50  31 .
1LI      1LI 'N-[(1S,2R)-3-{[1-(3-tert-butylphenyl' non-polymer        72  34 .
1LP      1LP 'TRANYLCYPROMINE                     ' non-polymer        20  10 .
1LU      1LU '(2S)-2-hydroxy-4-methyl-pentanoic ac' non-polymer        20   9 .
1MA      1MA '6-HYDRO-1-METHYLADENOSINE-5'-MONOPHO' RNA                38  24 .
1MC      1MC '1-METHYLCYTOSINE                    ' non-polymer        16   9 .
1MG      1MG '1N-METHYLGUANOSINE-5'-MONOPHOSPHATE ' RNA                39  25 .
1MM      1MM '"METHYL 2-[({[(4-METHOXY-6-METHYL-1,' non-polymer        41  26 .
1MR      1MR 'N-METHYLANILINE                     ' non-polymer        17   8 .
1MS      1MS 'N-[(4-methylpyrimidin-2-yl)carbamoyl' non-polymer        34  23 .
1MZ      1MZ '1-METHYLIMIDAZOLE                   ' non-polymer        13   6 .
1N1      1N1 '"N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[' non-polymer        59  33 .
1N5      1N5 '(2R,4S)-2,4,7-trihydroxyheptanoic ac' non-polymer        25  12 .
1N8      1N8 'N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(T' non-polymer        72  41 .
1N9      1N9 '"2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY' non-polymer        96  50 .
1NB      1NB '2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENA' non-polymer        28  12 .
1NH      1NH '"(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,' non-polymer        62  35 .
1NP      1NP '1-NAPHTHOL                          ' non-polymer        19  11 .
1NT      1NT '(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDR' non-polymer        38  25 .
1O2      1O2 '"(2S)-3-(alpha-D-galactopyranosyloxy' non-polymer       133  53 .
1OH      1OH '4-(1-methyl-1-phenylethyl)phenol    ' non-polymer        32  16 .
1P1      1P1 '.                                   ' non-polymer       146  86 .
1P2      1P2 '.                                   ' non-polymer       148  86 .
1P3      1P3 '(3R)-1-ACETYL-3-METHYLPIPERIDINE    ' non-polymer        25  10 .
1P5      1P5 '(3S)-1-[6-(2-aminopyrazolo[1,5-a]pyr' non-polymer        55  29 .
1P6      1P6 '3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]' non-polymer        42  26 .
1PA      1PA '4-(carboxymethyl)-L-phenylalanine   ' peptide            27  16 .
1PB      1PB '1,4-DIPHENYL-2-BUTENE               ' non-polymer        32  16 .
1PC      1PC '1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE   ' non-polymer        43  18 .
1PD      1PD '2-({3-[5-hydroxy-2-(3-methylbutyl)-3' non-polymer        57  35 .
1PE      1PE 'PENTAETHYLENE GLYCOL                ' non-polymer        38  16 .
1PG      1PG '2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY' non-polymer        41  17 .
1PI      1PI '(3R)-3-[(2S)-2-amino-3-oxopropyl]pip' non-polymer        32  14 .
1PL      1PL '"(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,' non-polymer        38  17 .
1PM      1PM '"methyl (3S)-3-{2-[(1,3-benzodioxol-' non-polymer        60  35 .
1PN      1PN '(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM' non-polymer        37  20 .
1PP      1PP '(S)-{[(3R)-5-TERT-BUTYL-2-PHENYL-2,3' non-polymer        51  27 .
1PR      1PR '"PHOSPHORIC ACID MONO-[5-({[5-CARBAM' non-polymer        62  37 .
1PS      1PS '3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE' non-polymer        24  13 .
1PT      1PT 'CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATIN' non-polymer        23   9 .
1PU      1PU '1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRR' non-polymer        39  23 .
1RB      1RB '1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE' non-polymer        35  22 .
1RC      1RC '(1R)-2-[(5-chloro-2,4-dihydroxypheny' non-polymer        42  25 .
1RG      1RG '"(4R,5S)-3-({(3S,5S)-5-[(3-carboxyph' non-polymer        58  33 .
1SA      1SA '5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAM' non-polymer        14  10 .
1SC      1SC '5'-O-THIOPHOSPHONOCYTIDINE          ' non-polymer        35  21 .
1SD      1SD '(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-' non-polymer        28  15 .
1SM      1SM '"METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN' non-polymer        41  25 .
1SP      1SP '(2S)-pentane-1,2-diol               ' non-polymer        19   7 .
1SQ      1SQ 'ISOQUINOLIN-1-AMINE                 ' non-polymer        19  11 .
1ST      1ST '(5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5' non-polymer        60  36 .
1TB      1TB '"METHYL 2-[4-METHOXY-6-METHYL-1,3,5-' non-polymer        44  27 .
1TP      1TP '"1-(2-{(2S,4R,5R)-3-[(4-AMINO-2-METH' non-polymer        54  32 .
1TQ      1TQ '6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPH' peptide            31  19 .
1TY      1TY '"3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENY' peptide            40  23 .
1U4      1U4 'N-[(S)-({[(benzyloxy)carbonyl]amino}' non-polymer        66  35 .
1UN      1UN '"2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-' non-polymer        85  40 .
1X5      1X5 '2-[(cyclopropylcarbonyl)amino]-5-[me' non-polymer        42  24 .
1ZN      1ZN '"(2S,3S,4E,6E,8S,9S)-3-amino-9-metho' non-polymer        52  24 .
1ZZ      1ZZ '5'-O-[(S)-(dodecanoyloxy)(hydroxy)ph' non-polymer        71  36 .
200      200 '4-CHLORO-L-PHENYLALANINE            ' peptide            22  13 .
201      201 '3-AMIDO-5-BIPHENYL-BENZOIC ACID     ' non-polymer        38  24 .
202      202 'BROMIC ACID                         ' non-polymer         5   4 .
203      203 '1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIA' non-polymer        16  12 .
204      204 '2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOX' non-polymer        22  13 .
205      205 '2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZO' non-polymer        26  20 .
207      207 '1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPU' non-polymer        36  18 .
208      208 '"(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-ME' non-polymer        53  31 .
209      209 '8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURI' non-polymer        23  14 .
20A      20A '1-ethyl-N-(phenylmethyl)-4-(tetrahyd' non-polymer        53  28 .
20C      20C '2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-' non-polymer        32  22 .
20E      20E '(2beta,3beta,5beta,22R)-2,3,14,20,22' non-polymer        78  34 .
20S      20S 'BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-' non-polymer        68  32 .
210      210 'PAMIDRONATE                         ' non-polymer        24  13 .
211      211 '2,2',2''-NITRILOTRIETHANOL          ' non-polymer        25  10 .
213      213 '.                                   ' non-polymer        76  47 .
214      214 '"6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL' non-polymer        84  52 .
215      215 '"(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHO' non-polymer        61  34 .
216      216 '[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYD' non-polymer        60  30 .
217      217 '(2S)-HEX-5-ENE-1,2-DIOL             ' non-polymer        20   8 .
218      218 '1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        38  19 .
219      219 'CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDR' non-polymer        38  20 .
21P      21P '"4-[2-(1,1,3,3-tetramethyl-2,3-dihyd' non-polymer        52  27 .
21U      21U 'D-leucyl-N-(3-chlorobenzyl)-L-prolin' non-polymer        50  24 .
220      220 'UNDECA-3,7-DIENE-1,3,7,11-TETRACARBA' non-polymer        39  19 .
221      221 '(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)' non-polymer        32  23 .
222      222 '2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2' non-polymer        56  37 .
223      223 '(3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D' non-polymer        36  19 .
224      224 '1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-' non-polymer        37  20 .
225      225 'FELODIPINE                          ' non-polymer        44  25 .
226      226 'naphthalene-1,2,4,5,7-pentol        ' non-polymer        23  15 .
227      227 '6,7-DIMETHOXY-4-{8-[(4-METHYLPIPERAZ' non-polymer        63  34 .
228      228 'N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-' non-polymer        55  31 .
229      229 '7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROX' non-polymer        35  19 .
22A      22A '7-({[2-hydroxy-1-(hydroxymethyl)ethy' non-polymer        31  17 .
22B      22B 'BACTERIORUBERIN                     ' non-polymer       130  54 .
22F      22F '(4-fluorophenyl)(pyridin-4-yl)methan' non-polymer        23  15 .
22K      22K '5-[(1R,3S)-3-aminocyclohexyl]-6-brom' non-polymer        44  24 .
22M      22M '2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBO' non-polymer        34  19 .
22U      22U 'D-phenylalanyl-N-(3-chlorobenzyl)-L-' non-polymer        51  27 .
22X      22X '(3R)-3-[(1S)-4-(acetylamino)-1-(3-ch' non-polymer        81  36 .
230      230 '(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[' non-polymer        56  34 .
232      232 '1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]' non-polymer       113  57 .
233      233 '"[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHY' non-polymer        50  24 .
234      234 '"5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHO' non-polymer        45  30 .
235      235 '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(' non-polymer        56  30 .
237      237 '"(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-' non-polymer        62  37 .
238      238 '.                                   ' non-polymer        42  28 .
239      239 '6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMI' non-polymer        42  24 .
23A      23A '2,3-DIHYDROXYBENZALDEHYDE           ' non-polymer        16  10 .
23C      23C '"2-[(1R)-1-carboxy-2-naphthalen-1-yl' non-polymer        42  29 .
23D      23D 'N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3' non-polymer        51  27 .
23F      23F '(2Z)-2-AMINO-3-PHENYLACRYLIC ACID   ' non-polymer        20  12 .
23G      23G '.                                   ' RNA                37  27 .
23I      23I '"N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-' non-polymer       104  49 .
23M      23M '2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBO' non-polymer        34  19 .
23N      23N '(2R)-2-benzyl-3-nitropropanoic acid ' non-polymer        25  15 .
23Q      23Q '(2S,3S,11bS)-3-[3-(fluoromethyl)phen' non-polymer        54  27 .
23R      23R '(1S,2S,3R,5Z,7E,14beta,17alpha,23R)-' non-polymer        79  33 .
23S      23S '(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PY' peptide            23  14 .
23T      23T '2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPH' non-polymer        41  28 .
23U      23U 'beta-phenyl-D-phenylalanyl-N-(3-chlo' non-polymer        61  33 .
23Z      23Z '(2R)-1-{5-acetyl-3-[3-{[2-oxo-2-(1H-' non-polymer        85  45 .
240      240 '"(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-' non-polymer        61  38 .
241      241 '"(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-' non-polymer        61  38 .
242      242 '3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-' non-polymer        48  31 .
243      243 '(9Z,11E,13S)-13-hydroxyoctadeca-9,11' non-polymer        52  21 .
244      244 '[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BEN' non-polymer        31  20 .
245      245 '1-(2-chloropyridin-4-yl)-3-phenylure' non-polymer        27  17 .
246      246 '1-benzyl-3-(2-chloropyridin-4-yl)ure' non-polymer        30  18 .
247      247 '(3R)-3-amino-2,2-difluoro-3-(4-hydro' non-polymer        23  15 .
24A      24A '"{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHY' non-polymer        61  33 .
24B      24B '(2,4-DIFLUOROPHENYL)METHANOL        ' non-polymer        16  10 .
24D      24D 'N-(2,4-dichlorobenzyl)-4-(pyrimidin-' non-polymer        43  25 .
24F      24F '"(2R)-({[5-(4-ethoxyphenyl)thiophen-' non-polymer        63  34 .
24H      24H '"{[(1S)-2-(2-amino-6-oxo-1,6-dihydro' non-polymer        35  21 .
24I      24I '(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPH' non-polymer        35  21 .
24P      24P '(2R)-2-[(4-benzylphenoxy)methyl]pyrr' non-polymer        41  20 .
24T      24T '2-AMINO-4-METHYLTHIAZOLE            ' non-polymer        13   7 .
24U      24U '1-butanoyl-N-(4-carbamimidoylbenzyl)' non-polymer        47  23 .
24X      24X '.                                   ' non-polymer        63  35 .
250      250 '(2R)-2-hydroxy-3-[4-(2-hydroxyethyl)' non-polymer        37  17 .
251      251 'N-[amino(imino)methyl]-2-(2,5-diphen' non-polymer        42  24 .
252      252 '(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPH' non-polymer        40  18 .
253      253 '10,11-dimethoxy-4-methyldibenzo[c,f]' non-polymer        43  25 .
254      254 '"6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHY' non-polymer        56  30 .
255      255 'N-(tert-butyl)-4-[5-(pyridin-2-ylami' non-polymer        55  31 .
256      256 'PHENYL(SULFO)ACETIC ACID            ' non-polymer        21  14 .
258      258 '(2-chloroethoxy)benzene             ' non-polymer        19  10 .
259      259 '1-(methylsulfanyl)-4-nitrobenzene   ' non-polymer        18  11 .
25A      25A '5'-O-MONOPHOSPHORYLADENYLYL(2'->5')A' non-polymer       101  67 .
25B      25B '(1R,2R)-2-[(4-chlorophenyl)carbonyl]' non-polymer        68  34 .
25D      25D '2-cyclohexyl-N-[(3-{[(2,4,6-trimethy' non-polymer        71  37 .
25H      25H '{2-[2-(2-amino-6-oxo-1,6-dihydro-9H-' non-polymer        34  20 .
25P      25P '4-[(2S)-2-{[4-(4-chlorophenoxy)pheno' non-polymer        50  27 .
25R      25R '2,5-dimethylpyrazine                ' non-polymer        16   8 .
25T      25T '2-AMINO-5-METHYLTHIAZOLE            ' non-polymer        14   7 .
260      260 '2-(bromomethyl)-1,3-difluorobenzene ' non-polymer        15  10 .
261      261 '2-ethoxyphenol                      ' non-polymer        20  10 .
262      262 '2-FORMYLPHENYL DIHYDROGEN PHOSPHATE ' non-polymer        18  13 .
263      263 '1-(azidomethyl)-3-methylbenzene     ' non-polymer        20  11 .
264      264 '(phenylamino)acetonitrile           ' non-polymer        18  10 .
265      265 '2-nitrothiophene                    ' non-polymer        11   8 .
266      266 '2-(propylsulfanyl)ethanol           ' non-polymer        19   7 .
268      268 '2-phenoxyethanol                    ' non-polymer        20  10 .
269      269 '(1R)-3-chloro-1-phenylpropan-1-ol   ' non-polymer        22  11 .
26A      26A '6N-DIMETHYLADENOSINE                ' non-polymer        38  21 .
26B      26B 'O-tert-butyl-N-[(3-{[(2,4,6-trimethy' non-polymer        71  37 .
26C      26C '.                                   ' non-polymer        24  17 .
26D      26D 'PYRIDINE-2,6-DIAMINE                ' non-polymer        15   8 .
26P      26P '2-AMINO-6-OXOPIMELIC ACID           ' non-polymer        22  13 .
26U      26U 'N-(4-carbamimidoylbenzyl)-1-(4-methy' non-polymer        53  25 .
270      270 '2H-BENZOIMIDAZOL-2-YLAMINE          ' non-polymer        17  10 .
271      271 'N-methyl-1-phenylmethanamine        ' non-polymer        20   9 .
272      272 '4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)B' non-polymer        27  18 .
273      273 'cyclopentanecarboximidamide         ' non-polymer        20   8 .
274      274 '(3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIME' non-polymer        69  39 .
275      275 '5-amino-1,2-dimethylpyridinium      ' non-polymer        20   9 .
276      276 '4-[[2-[[4-chloro-3-(trifluoromethyl)' non-polymer        47  32 .
277      277 'N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-' non-polymer        53  23 .
278      278 '1-(1-methyl-1H-pyrrol-2-yl)methanami' non-polymer        18   8 .
279      279 'N-ethyl-4-{[5-(methoxycarbamoyl)-2-m' non-polymer        50  28 .
27A      27A '(Z)-2-[2-(4-methylpiperazin-1-yl)ben' non-polymer        38  19 .
27P      27P '1-[2-(4-benzylphenoxy)ethyl]pyrrolid' non-polymer        44  21 .
27U      27U 'N-(4-carbamimidoylbenzyl)-1-(3-pheny' non-polymer        54  28 .
280      280 '1-methyl-1H-imidazole-5-carbaldehyde' non-polymer        14   8 .
281      281 '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(' non-polymer        57  33 .
282      282 '3-methoxypyridine                   ' non-polymer        15   8 .
283      283 '(3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]' non-polymer        37  20 .
284      284 '(4S)-4-methyl-1,4,5,6-tetrahydropyri' non-polymer        20   8 .
285      285 '(2R,4R,5R)-2,4,5-trimethyl-1,3-oxazo' non-polymer        21   8 .
286      286 '2-ethenyl-1-methylpyridinium        ' non-polymer        19   9 .
287      287 '4-{[5-(methoxycarbamoyl)-2-methylphe' non-polymer        60  34 .
288      288 '"5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACI' non-polymer        49  25 .
289      289 'D-glycero-alpha-D-manno-heptopyranos' pyranose           28  14 .
28P      28P 'N-[3-(4-benzylphenoxy)propyl]-N-meth' non-polymer        48  24 .
290      290 '6-methyl-3,9-dihydro-2H-purin-2-one ' non-polymer        17  11 .
291      291 'prop-2-en-1-yl 7-O-carbamoyl-L-glyce' pyranose           39  20 .
292      292 'N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-' non-polymer        39  22 .
293      293 '(2S,4R,5S,6R)-6-((S)-1,2-dihydroxyet' pyranose           27  13 .
294      294 'N-hydroxy-4-({4-[4-(trifluoromethyl)' non-polymer        48  30 .
295      295 '(2S,3S)-3-(4-fluorophenyl)-2,3-dihyd' non-polymer        22  14 .
296      296 '(3R)-3-amino-2,2-difluoro-3-(4-metho' non-polymer        26  16 .
297      297 'dodecane-1,12-diamine               ' non-polymer        42  14 .
298      298 'N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(' non-polymer        34  14 .
299      299 '2,6-DIFORMYL-4-METHYLPHENYL DIHYDROG' non-polymer        23  16 .
29U      29U '1-[(2R)-2-aminobutanoyl]-N-(4-carbam' non-polymer        49  24 .
2A1      2A1 '(2S)-2-aminopropan-1-ol             ' non-polymer        14   5 .
2A5      2A5 '.                                   ' non-polymer        45  29 .
2A6      2A6 '2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE ' non-polymer        45  24 .
2AA      2AA '"5'-O-{[({[2-({[5-(DIMETHYLAMINO)NAP' non-polymer        73  44 .
2AB      2AB '4-(2-AMINOETHYL)BENZENESULFONIC ACID' non-polymer        23  12 .
2AC      2AC '2-AMINO-P-CRESOL                    ' non-polymer        18   9 .
2AD      2AD '2'-AMINO-2'-DEOXYADENOSINE          ' non-polymer        33  19 .
2AF      2AF '2-AMINOPHENOL                       ' non-polymer        15   8 .
2AG      2AG '(2S)-2-aminopent-4-enoic acid       ' peptide            16   8 .
2AH      2AH '.                                   ' non-polymer        95  50 .
2AI      2AI '1H-imidazol-2-amine                 ' non-polymer        11   6 .
2AL      2AL '1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL' non-polymer        15  11 .
2AM      2AM 'ADENOSINE-2'-MONOPHOSPHATE          ' non-polymer        35  23 .
2AN      2AN '1-ANILINO-8-NAPHTHALENE SULFONATE   ' non-polymer        34  21 .
2AO      2AO '(2S)-2-AMINOHEXAN-1-OL              ' non-polymer        23   8 .
2AP      2AP '2-AMINOPYRIDINE                     ' non-polymer        14   7 .
2AQ      2AQ 'QUINOLIN-2-AMINE                    ' non-polymer        19  11 .
2AR      2AR '2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE  ' DNA                36  22 .
2AS      2AS '(2S,3S)-3-methyl-aspartic acid      ' peptide            17  10 .
2AT      2AT '.                                   ' DNA                42  25 .
2AU      2AU '2'-AMINOURIDINE                     ' RNA                33  21 .
2AZ      2AZ 'N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5' non-polymer        66  36 .
2B5      2B5 '2-(2-((benzofuran-2-carboxamido)meth' non-polymer        45  28 .
2BA      2BA '.                                   ' non-polymer        66  44 .
2BB      2BB '(2S,3R)-N~4~-[(1S)-1-(dimethylcarbam' non-polymer        55  24 .
2BC      2BC '"N'-[(1E)-(3,5-dibromo-2,4-dihydroxy' non-polymer        37  25 .
2BD      2BD '.                                   ' DNA                44  27 .
2BE      2BE '4-chloro-N'-[(1E)-(3,5-dibromo-2,4-d' non-polymer        31  22 .
2BF      2BF 'ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ' non-polymer        35  19 .
2BH      2BH '[(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENY' non-polymer        25  13 .
2BL      2BL '(3R)-3-ethyl-N-[(4-methylphenyl)sulf' non-polymer        36  21 .
2BM      2BM 'DIBROMOMETHANE                      ' non-polymer         5   3 .
2BN      2BN '(1R,4S)-2-AZABORNANE                ' non-polymer        27  10 .
2BP      2BP '9H-purin-2-amine                    ' non-polymer        15  10 .
2BR      2BR '2-BROMOPHENOL                       ' non-polymer        13   8 .
2BS      2BS 'ethyl 2-amino-1,3-benzothiazole-6-ca' non-polymer        25  15 .
2BT      2BT '2'-O-BUTYL-THYMIDINE                ' DNA                47  26 .
2BU      2BU '.                                   ' DNA                49  29 .
2BZ      2BZ '5-(2-chlorophenyl)-3-methyl-7-nitrop' non-polymer        35  25 .
2C2      2C2 '(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXY' non-polymer        21  14 .
2C5      2C5 '"2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-' non-polymer        50  33 .
2C7      2C7 '2-(cycloheptylmethyl)-1,1-dioxido-1-' non-polymer        45  24 .
2CA      2CA '"BENZOFURAN-2-CARBOXYLIC ACID {(S)-3' non-polymer        67  37 .
2CC      2CC '3,4-bis(7-chloro-1H-indol-3-yl)-1H-p' non-polymer        42  31 .
2CE      2CE 'N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETH' non-polymer        68  37 .
2CF      2CF '"(2E,6E)-2-fluoro-3,7,11-trimethyldo' non-polymer        49  25 .
2CG      2CG '(1R,2R)-3-[(S)-amino(carboxy)methyl]' non-polymer        20  14 .
2CH      2CH '2-CHLOROPHENOL                      ' non-polymer        13   8 .
2CL      2CL '(2,6-DICHLOROPHENYL)ACETIC ACID     ' non-polymer        17  12 .
2CM      2CM '2-CHLORO-6-METHYL-ANILINE           ' non-polymer        17   9 .
2CO      2CO 'S-HYDROPEROXYCYSTEINE               ' peptide            15   9 .
2CP      2CP '2-CARBOXYPROPYL-COENZYME A          ' non-polymer        91  54 .
2CS      2CS '"3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBE' non-polymer        75  41 .
2CY      2CY '5-[3-(3-fluorophenoxy)propoxy]quinaz' non-polymer        41  24 .
2D7      2D7 'N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-D' non-polymer        40  26 .
2D9      2D9 '4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)' non-polymer        54  31 .
2DA      2DA '2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPH' non-polymer        33  21 .
2DB      2DB '(S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXY' non-polymer        20  10 .
2DC      2DC '(3alpha,8alpha,22R)-cholest-5-ene-3,' non-polymer        76  30 .
2DD      2DD '"3-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-1' non-polymer        43  28 .
2DE      2DE '(2E,6E)-7,11-dimethyldodeca-2,6,10-t' non-polymer        46  23 .
2DF      2DF 'N-(2-DEOXY-BETA-D-ERYTHO-PENTOFURANO' non-polymer        25  15 .
2DG      2DG '2-DEOXY-BETA-D-GALACTOSE            ' pyranose           23  11 .
2DI      2DI '9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYD' non-polymer        29  17 .
2DL      2DL '2-METHYL-4-DIETHYLAMIDE-PHENOL      ' non-polymer        33  16 .
2DM      2DM '2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPY' non-polymer        44  27 .
2DO      2DO '(2S)-2-AMINOHEXANE-1,1-DIOL         ' non-polymer        24   9 .
2DP      2DP '3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHO' non-polymer       156  60 .
2DR      2DR '2-deoxy-beta-D-erythro-pentofuranose' non-polymer        19   9 .
2DS      2DS 'N-[(2,3-dihydroxyphenyl)carbonyl]-O-' non-polymer        52  33 .
2DT      2DT '3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE  ' non-polymer        33  20 .
2E1      2E1 '5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-E' non-polymer        45  25 .
2E3      2E3 '"(2E)-3-[4-hydroxy-3-(3,5,5,8,8-pent' non-polymer        54  27 .
2EA      2EA '(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUI' non-polymer        52  30 .
2ED      2ED 'N-[(1R,2R,3E)-2-hydroxy-1-(hydroxyme' non-polymer        63  24 .
2EG      2EG '.                                   ' DNA                41  25 .
2EH      2EH '(2S)-2-ethylhexan-1-ol              ' non-polymer        27   9 .
2EP      2EP '2-ETHYLPIPERIDINE                   ' non-polymer        23   8 .
2EQ      2EQ '5-(5-chloro-2,4-dihydroxyphenyl)-N-e' non-polymer        56  32 .
2EZ      2EZ '2-ETHYLIMIDAZOLE                    ' non-polymer        15   7 .
2FA      2FA '2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HY' non-polymer        32  20 .
2FD      2FD '5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HY' non-polymer        31  19 .
2FE      2FE '2'-fluoro-2'-deoxy-1,N6-ethenoadenin' non-polymer        36  25 .
2FF      2FF '"(5-(aminomethyl)-2H-spiro[benzofura' non-polymer        55  31 .
2FG      2FG '2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRAN' pyranose           23  12 .
2FH      2FH '2-PHENYLHEME                        ' non-polymer        83  49 .
2FI      2FI '2'-fluoro-2'-deoxyinosine           ' non-polymer        33  23 .
2FL      2FL '2-FLUORO-2-DEOXY-LACTOSE            ' saccharide         44  23 .
2FM      2FM 'S-(DIFLUOROMETHYL)HOMOCYSTEINE      ' peptide            19  11 .
2FP      2FP '1,6-FRUCTOSE DIPHOSPHATE (LINEAR FOR' non-polymer        30  20 .
2FR      2FR '3-[3-(3-methyl-6-{[(1S)-1-phenylethy' non-polymer        55  30 .
2FT      2FT '2,2-difluoropentanedioic acid       ' non-polymer        15  11 .
2FU      2FU 'BUT-2-ENEDIAL                       ' non-polymer        10   6 .
2FX      2FX '1-benzothiophen-2-ylacetic acid     ' non-polymer        20  13 .
2G0      2G0 '(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,' non-polymer        83  38 .
2GG      2GG '5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-E' non-polymer        44  27 .
2GJ      2GJ '5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PH' non-polymer        65  34 .
2GL      2GL '4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALAC' pyranose           27  13 .
2GP      2GP 'GUANOSINE-2'-MONOPHOSPHATE          ' non-polymer        36  24 .
2GS      2GS '2-O-METHYL-ALPHA-D-GALACTOPYRANOSE  ' non-polymer        27  13 .
2GT      2GT '.                                   ' DNA                40  25 .
2HA      2HA 'DIHYDROXYACETONE                    ' non-polymer        12   6 .
2HC      2HC '(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID' non-polymer        19  12 .
2HE      2HE '(2-hydroxyethyl)phosphonic acid     ' non-polymer        14   7 .
2HF      2HF '2-fluoro-L-histidine                ' peptide            20  12 .
2HI      2HI '(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPH' non-polymer        32  20 .
2HP      2HP 'DIHYDROGENPHOSPHATE ION             ' non-polymer         5   5 .
2HR      2HR 'HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-' non-polymer        47  20 .
2HS      2HS 'HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-' non-polymer        47  20 .
2HT      2HT '3-methylbenzonitrile                ' non-polymer        16   9 .
2IB      2IB '2-IODOBENZYL GROUP                  ' non-polymer        15   8 .
2IC      2IC '"5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5' non-polymer        56  37 .
2IG      2IG '6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CA' non-polymer        53  28 .
2IH      2IH '1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE' non-polymer        34  16 .
2IM      2IM 'PIPERIDIN-2-IMINE                   ' non-polymer        17   7 .
2IN      2IN 'N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AMI' non-polymer        56  31 .
2IP      2IP 'D-MYO-INOSITOL-1,4-BISPHOSPHATE     ' non-polymer        30  20 .
2JZ      2JZ 'N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(' non-polymer        64  38 .
2KL      2KL '2-amino-4-[2,4-dichloro-5-(2-pyrroli' non-polymer        54  31 .
2KT      2KT '2-KETOBUTYRIC ACID                  ' non-polymer        12   7 .
2LG      2LG '2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-C' non-polymer        48  28 .
2LI      2LI 'N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylp' non-polymer        73  37 .
2LP      2LP '2-ALLYLPHENOL                       ' non-polymer        20  10 .
2M3      2M3 '2-methyl-3-{(3S)-1-[(1-pyridin-2-ylc' non-polymer        48  26 .
2MA      2MA '2-METHYLADENOSINE-5'-MONOPHOSPHATE  ' RNA                38  24 .
2MB      2MB '2-METHYL BUT-2-ENE                  ' non-polymer        15   5 .
2MC      2MC 'METHACRYLYL-COENZYME A              ' non-polymer        89  53 .
2MD      2MD '.                                   ' non-polymer        73  47 .
2ME      2ME 'METHOXYETHANE                       ' non-polymer        12   4 .
2MG      2MG '2N-METHYLGUANOSINE-5'-MONOPHOSPHATE ' RNA                39  25 .
2MH      2MH 'cis-4-methylcyclohexanamine         ' non-polymer        23   8 .
2MI      2MI '2-METHYL-1H-INDOLE                  ' non-polymer        19  10 .
2ML      2ML '2-METHYLLEUCINE                     ' peptide            24  10 .
2MM      2MM 'N,N-dimethyl-L-methionine           ' non-polymer        25  11 .
2MN      2MN '2-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL' non-polymer        21  12 .
2MO      2MO 'MOLYBDENUM (IV)OXIDE                ' non-polymer         3   3 .
2MP      2MP '3,4-DIMETHYLPHENOL                  ' non-polymer        19   9 .
2MQ      2MQ '6-amino-4-(2-aminoethyl)-2-(methylam' non-polymer        35  20 .
2MR      2MR 'N3, N4-DIMETHYLARGININE             ' peptide            31  14 .
2MT      2MT '(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4' non-polymer        20  10 .
2MU      2MU '2',5-DIMETHYLURIDINE-5'-MONOPHOSPHAT' RNA                38  23 .
2MV      2MV '(1S,2S,3R,5Z,7E,14beta,17alpha)-17-[' non-polymer        79  33 .
2MY      2MY '2,6-dimethylphenol                  ' non-polymer        19   9 .
2MZ      2MZ '2-METHYLIMIDAZOLE                   ' non-polymer        12   6 .
2NA      2NA 'naphthalen-2-ylmethanol             ' non-polymer        22  12 .
2NC      2NC 'N-{(2S)-2-[(N-acetyl-L-threonyl-L-is' non-polymer       122  54 .
2ND      2ND '2'-DEOXYINOSINE                     ' non-polymer        30  18 .
2NF      2NF '"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-y' non-polymer        69  44 .
2NH      2NH 'N-ACETYL-S-[(2E,6E)-3,7,11-TRIMETHYL' non-polymer       109  48 .
2NI      2NI 'N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)O' non-polymer        40  23 .
2NO      2NO 'NITROGEN DIOXIDE                    ' non-polymer         4   3 .
2NP      2NP 'L-2-AMINO-6-METHYLENE-PIMELIC ACID  ' non-polymer        24  13 .
2NT      2NT '.                                   ' DNA                48  28 .
2O7      2O7 '7A-[(4-cyanophenyl)methyl]-6-(3,5-di' non-polymer        43  28 .
2OB      2OB 'CHOLESTERYL OLEATE                  ' non-polymer       125  47 .
2OH      2OH '4,4'-PROPANE-2,2-DIYLDIPHENOL       ' non-polymer        33  17 .
2OM      2OM '.                                   ' RNA                36  24 .
2OP      2OP '(2S)-2-HYDROXYPROPANOIC ACID        ' non-polymer        11   6 .
2OS      2OS '3-N-OCTANOYLSUCROSE                 ' non-polymer        68  32 .
2OT      2OT '.                                   ' DNA                50  28 .
2PA      2PA 'DIAMIDOPHOSPHATE                    ' non-polymer        10   5 .
2PB      2PB '2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE   ' non-polymer        18  13 .
2PC      2PC '3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLA' non-polymer        15   8 .
2PD      2PD '5-hydroxy-4-(7-methoxy-1,1-dioxido-2' non-polymer        57  33 .
2PE      2PE 'NONAETHYLENE GLYCOL                 ' non-polymer        66  28 .
2PF      2PF '.                                   ' non-polymer       104  68 .
2PG      2PG '2-PHOSPHOGLYCERIC ACID              ' non-polymer        15  11 .
2PH      2PH '[7,8-DIHYDRO-PTERIN-6-YL METHANYL]-P' non-polymer        30  22 .
2PM      2PM 'N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMET' non-polymer        40  19 .
2PN      2PN 'IMIDODIPHOSPHORIC ACID              ' non-polymer        14   9 .
2PO      2PO 'PHOSPHONATE                         ' non-polymer         5   4 .
2PP      2PP '2-PROPYL-PENTANOIC ACID             ' non-polymer        25  10 .
2PQ      2PQ '"2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)' non-polymer        84  44 .
2PR      2PR '2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-9H-' DNA                34  22 .
2PT      2PT '1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-1,3-D' non-polymer        58  28 .
2PU      2PU '1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRR' non-polymer        49  27 .
2PY      2PY '(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-' non-polymer        50  29 .
2RB      2RB 'N'-[(1E)-(3,5-dibromo-2,4-dihydroxyp' non-polymer        35  23 .
2RD      2RD '5-(dodecylthio)-1H-1,2,3-triazole-4-' non-polymer        47  21 .
2RG      2RG '"(2S,3R,4S)-4-({(3S,5S)-5-[(3-carbox' non-polymer        58  33 .
2RL      2RL 'N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXY' non-polymer        57  35 .
2S2      2S2 '(2S)-2-(1H-indol-3-yl)hexanoic acid ' non-polymer        33  17 .
2S3      2S3 '(2S)-2-(1H-indol-3-yl)pentanoic acid' non-polymer        30  16 .
2S8      2S8 '(2S)-8-[(tert-butoxycarbonyl)amino]-' non-polymer        56  27 .
2SA      2SA '"2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYM' non-polymer        45  31 .
2SC      2SC '(5-phenyl-7-(pyridin-3-ylmethylamino' non-polymer        42  25 .
2SD      2SD '(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hy' non-polymer        49  26 .
2SK      2SK '(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(' non-polymer        37  18 .
2SM      2SM 'methyl 2-{[(4-methylpyrimidin-2-yl)c' non-polymer        38  24 .
2ST      2ST '.                                   ' DNA                38  23 .
2T0      2T0 '2-amino-4,5-dihydronaphtho[1,2-d][1,' non-polymer        28  19 .
2T1      2T1 '2-[({4-[2-(trifluoromethyl)phenyl]pi' non-polymer        46  28 .
2T3      2T3 '(2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OX' non-polymer        26  16 .
2T4      2T4 '{[(2-amino-8H-indeno[1,2-d][1,3]thia' non-polymer        30  19 .
2T5      2T5 '[(8H-indeno[1,2-d][1,3]thiazol-4-ylo' non-polymer        28  18 .
2T6      2T6 '{[(7-carbamoyl-8H-indeno[1,2-d][1,3]' non-polymer        32  21 .
2TB      2TB '1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHE' non-polymer        27  11 .
2TH      2TH '2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DI' non-polymer        35  22 .
2TL      2TL 'D-allothreonine                     ' peptide            16   8 .
2TN      2TN '2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PR' non-polymer        41  19 .
2TP      2TP '"2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYR' non-polymer        43  27 .
2TS      2TS '(2S)-N-[[2-(aminomethyl)-5-chloro-ph' non-polymer        75  39 .
2TY      2TY '2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDEN' peptide            40  23 .
2UN      2UN '{4-[2-BENZYL-3-METHOXY-2-(METHOXYCAR' non-polymer        49  28 .
2VA      2VA '2'-(L-VALYL)AMINO-2'-DEOXYADENOSINE ' non-polymer        49  26 .
2XY      2XY 'N-[2-nitro-4-(trifluoromethyl)phenyl' non-polymer        32  20 .
2Z9      2Z9 '"N-acetyl-L-alpha-aspartyl-L-alpha-g' non-polymer        64  35 .
300      300 '2-FORMYL-6-METHOXYPHENYL DIHYDROGEN ' non-polymer        22  15 .
301      301 'N6-(penta-2,3-dienyl)adenine        ' non-polymer        26  15 .
302      302 '"4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TET' non-polymer        38  25 .
303      303 '6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOP' non-polymer        55  29 .
304      304 'N-[2-methyl-5-(methylcarbamoyl)pheny' non-polymer        46  24 .
306      306 '3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL' non-polymer        57  32 .
307      307 '6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1' non-polymer        72  40 .
308      308 '(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec' non-polymer        28  11 .
30B      30B '.                                   ' non-polymer        99  52 .
30E      30E '"(3R,4R)-1-[3-amino-6-(3,4,5-trimeth' non-polymer        57  30 .
30X      30X 'N~2~-[4-cyano-3-(trifluoromethyl)phe' non-polymer        40  25 .
310      310 'N-carbamimidoyl-2-[2-(2-chlorophenyl' non-polymer        58  35 .
311      311 '(3,3-dimethylpiperidin-1-yl)(6-(3-fl' non-polymer        47  24 .
312      312 '"2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BE' non-polymer        55  35 .
313      313 '(dimethyl-lambda~4~-sulfanyl)acetic ' non-polymer        16   7 .
314      314 '"N'-[(1S,2R)-2-[(2R,4S)-4-benzylpipe' non-polymer        89  44 .
315      315 '(2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[' non-polymer        59  31 .
316      316 '"N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxop' non-polymer        87  45 .
317      317 '(2S,3S)-3-{3-[2-chloro-4-(methylsulf' non-polymer        55  30 .
318      318 '"N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoi' non-polymer        84  44 .
319      319 'N-({4-[(2-aminopyridin-4-yl)oxy]-3-f' non-polymer        45  29 .
31U      31U 'D-leucyl-N-(4-carbamimidoylbenzyl)-L' non-polymer        55  26 .
320      320 '2-(4-fluorophenyl)-N-{[3-fluoro-4-(1' non-polymer        47  31 .
321      321 'N-{3-[5-hydroxy-2-(3-methylbutyl)-3-' non-polymer        59  35 .
322      322 '"[(5R)-5-(2,3-dibromo-5-ethoxy-4-hyd' non-polymer        36  24 .
323      323 '2-[3,6-bis(dimethylamino)xanthen-9-y' non-polymer        53  31 .
324      324 'N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyr' non-polymer        41  27 .
325      325 'N-{2,4-difluoro-3-[(5-pyridin-3-yl-1' non-polymer        47  31 .
326      326 '"2-{(E)-[5-HYDROXY-3-METHYL-1-(2-MET' non-polymer        48  33 .
327      327 '(3S,5E)-3-propyl-3,4-dihydrothieno[2' non-polymer        28  14 .
328      328 '4-({4-[(4-methoxypyridin-2-yl)amino]' non-polymer        45  25 .
329      329 '(2S)-2-methyl-2,3-dihydrothieno[2,3-' non-polymer        22  12 .
32A      32A '2-[(5-hex-1-yn-1-ylfuran-2-yl)carbon' non-polymer        36  19 .
32P      32P '"3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOET' non-polymer        74  40 .
32S      32S '(S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PY' peptide            23  14 .
32T      32T '(S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRR' peptide            23  14 .
32U      32U 'D-phenylalanyl-N-{4-[amino(iminio)me' non-polymer        57  29 .
330      330 '9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-M' non-polymer        51  31 .
331      331 '"(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL' non-polymer        70  35 .
332      332 '(3R)-3-[(1,2,3,4-tetrahydroisoquinol' non-polymer        42  23 .
333      333 '4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H' non-polymer        42  28 .
334      334 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        34  21 .
335      335 '"[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-' non-polymer        69  44 .
336      336 '4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-' non-polymer        67  36 .
337      337 'N-benzyl-1-[5-({5-tert-butyl-2-metho' non-polymer        76  42 .
338      338 '2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BE' non-polymer        32  21 .
339      339 '(S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL' non-polymer        91  46 .
33A      33A 'N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PY' non-polymer        44  27 .
33N      33N 'N-(3,3-diphenylpropyl)pyridine-3-car' non-polymer        44  24 .
33P      33P '"{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONO' non-polymer        40  24 .
33T      33T '3-chloro-4-({(2R)-4-[4-fluoro-2-(tri' non-polymer        49  31 .
33U      33U 'beta-phenyl-D-phenylalanyl-N-(4-carb' non-polymer        66  35 .
33Y      33Y '"1-methylethyl 3-[(3,4-difluoropheny' non-polymer        56  32 .
33Z      33Z '"(2S)-2-(3-{[AMINO(IMINO)METHYL]AMIN' non-polymer        81  44 .
340      340 '5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMET' non-polymer        40  23 .
341      341 '(3,5-difluorophenyl)methanol        ' non-polymer        16  10 .
342      342 '(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-' non-polymer        51  28 .
343      343 '"(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}' non-polymer        80  45 .
344      344 '6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QU' non-polymer        22  15 .
346      346 '"(R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[' non-polymer        53  30 .
347      347 '"TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMI' non-polymer        63  32 .
348      348 '4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-2' non-polymer        67  33 .
349      349 '5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)b' non-polymer        58  37 .
34A      34A '3,4-DIMETHYLANILINE                 ' non-polymer        20   9 .
34B      34B '2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)' non-polymer        42  22 .
34C      34C '(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC A' non-polymer        27  15 .
34D      34D '3,5-DIHYDROXYBENZOATE               ' non-polymer        16  11 .
34H      34H '(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PR' non-polymer        22  13 .
34N      34N '4-cyano-N-{(3S)-3-(4-fluorophenyl)-3' non-polymer        52  31 .
34O      34O '2-(1,3-benzodioxol-5-yl)-5-[(3-fluor' non-polymer        38  25 .
34P      34P 'N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALA' non-polymer        63  32 .
34Q      34Q '(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-' non-polymer        46  25 .
34T      34T '(3R)-8-(dioxidosulfanyl)-3-methyl-1,' non-polymer        27  14 .
34Z      34Z '3,4-dichlorobenzoate                ' non-polymer        14  11 .
351      351 '1-(3-{5-[4-(aminomethyl)phenyl]-1H-p' non-polymer        67  40 .
352      352 '(5S)-2-{[(1S)-1-(4-fluorophenyl)ethy' non-polymer        40  21 .
353      353 'N-{4-[(2-amino-3-chloropyridin-4-yl)' non-polymer        55  36 .
354      354 '"N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINA' non-polymer        55  34 .
356      356 '8-[(3R)-3-Aminopiperidin-1-yl]-7-but' non-polymer        63  35 .
357      357 '5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMI' non-polymer        52  24 .
358      358 '1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUO' non-polymer        55  33 .
359      359 '"3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-' non-polymer        88  50 .
35A      35A 'N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-' non-polymer        65  32 .
35B      35B '"4-bromo-3-(carboxymethoxy)-5-{3-[cy' non-polymer        52  31 .
35C      35C '3,5-dichlorobenzene-1,2-diol        ' non-polymer        14  10 .
35F      35F 'N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-i' non-polymer        42  28 .
35G      35G 'GUANOSINE-3',5'-MONOPHOSPHATE       ' non-polymer        34  23 .
361      361 '"(7R,8R)-8-(2,4,5-trifluorophenyl)-6' non-polymer        36  23 .
364      364 '3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIP' non-polymer        49  29 .
367      367 '"3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO' non-polymer        51  30 .
368      368 '"(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-' non-polymer        49  28 .
369      369 '5-(4-hydroxyphenoxy)-6-(3-hydroxyphe' non-polymer        45  27 .
371      371 '2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXI' non-polymer        45  28 .
373      373 '3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL' non-polymer        55  29 .
376      376 'N-[(naphthalen-1-ylamino)(oxo)acetyl' non-polymer        47  27 .
37A      37A '(1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL' non-polymer        49  28 .
37D      37D 'methyl 5-furan-2-yl-3-methyl-1H-pyra' non-polymer        25  15 .
37T      37T 'THEOBROMINE                         ' non-polymer        21  13 .
37U      37U 'D-phenylalanyl-N-(3-fluorobenzyl)-L-' non-polymer        51  27 .
380      380 '(2R)-2-({4-[AMINO(IMINO)METHYL]PHENY' non-polymer        57  31 .
382      382 '(R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZ' non-polymer        55  32 .
383      383 '"[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPI' non-polymer        51  29 .
385      385 '"(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FU' non-polymer        89  48 .
388      388 '(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]C' non-polymer        35  24 .
389      389 'L-alanyl-L-valyl-N-(2,2-diphenylethy' non-polymer        70  34 .
38M      38M '3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-' non-polymer        72  37 .
38P      38P '4-{[5-(cyclopropylcarbamoyl)-2-methy' non-polymer        56  30 .
391      391 '4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H' non-polymer        45  29 .
393      393 '(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]C' non-polymer        37  25 .
394      394 '"R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-' non-polymer        54  29 .
396      396 '4-(2-chlorophenyl)-9-hydroxy-6-methy' non-polymer        62  37 .
397      397 '2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL ' non-polymer        27  17 .
39A      39A '6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM ' non-polymer        22  12 .
39B      39B '(S)-2,4-DIAMINO-5-((7,8-DICARBAUNDEC' non-polymer        41  21 .
39E      39E '(R)-2,4-DIAMINO-5-((7,8-DICARBAUNDEC' non-polymer        41  21 .
39P      39P '4-{[5-(isoxazol-3-ylcarbamoyl)-2-met' non-polymer        55  32 .
39Z      39Z '5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)' non-polymer        30  18 .
3A1      3A1 'N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phe' non-polymer        82  42 .
3A2      3A2 '1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)' non-polymer        86  43 .
3A3      3A3 '.                                   ' non-polymer        36  25 .
3AA      3AA '3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE' non-polymer        71  46 .
3AB      3AB '3-aminobenzamide                    ' non-polymer        18  10 .
3AC      3AC '(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-' non-polymer        37  22 .
3AD      3AD '3'-DEOXYADENOSINE                   ' non-polymer        31  18 .
3AF      3AF '2,5-BIS{[4-(2-PENTYL)DIAMINOMETHYL]P' non-polymer        73  33 .
3AG      3AG '2-[METHYL-(4-METHYL-PENT-3-ENYL)-AMI' non-polymer        37  19 .
3AH      3AH '[HISTIDIN-1-YL-4H-[1,2,4]TRIAZOL-5-Y' peptide            27  17 .
3AL      3AL '1-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]U' non-polymer        17  11 .
3AM      3AM '"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl' non-polymer        35  23 .
3AN      3AN '.                                   ' non-polymer        40  27 .
3AP      3AP '3-AMINOPYRIDINE                     ' non-polymer        14   7 .
3AR      3AR 'N-OMEGA-PROPYL-L-ARGININE           ' peptide            35  15 .
3AS      3AS '(3aS,4R,9bR)-2,2-difluoro-4-(4-hydro' non-polymer        46  26 .
3AT      3AT '3'-DEOXYADENOSINE-5'-TRIPHOSPHATE   ' non-polymer        42  30 .
3AY      3AY 'PYRIMIDINE-2,4,6-TRIAMINE           ' non-polymer        16   9 .
3B3      3B3 '(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-Y' non-polymer        33  19 .
3B4      3B4 '2-(cyclohexylamino)benzoic acid     ' non-polymer        32  16 .
3B6      3B6 '(2S)-N-(4-cyano-3-iodophenyl)-3-(4-c' non-polymer        39  25 .
3B8      3B8 '2-amino-7-fluoro-5-oxo-5H-chromeno[2' non-polymer        28  20 .
3B9      3B9 'N-[2-(2,4-diaminopyrido[2,3-d]pyrimi' non-polymer        56  32 .
3BA      3BA '7-amino-2-tert-butyl-4-{[2-(1H-imida' non-polymer        48  26 .
3BB      3BB '3-BROMOBUT-3-EN-1-OL                ' non-polymer        13   6 .
3BC      3BC '.                                   ' non-polymer       108  52 .
3BD      3BD '7-amino-2-tert-butyl-4-(4-pyrimidin-' non-polymer        55  30 .
3BE      3BE '3-bromo-N'-[(1E)-(3,5-dibromo-2,4-di' non-polymer        31  22 .
3BH      3BH '(2R,3R,4S,5R)-2-(6,8-diaminopurin-9-' non-polymer        34  20 .
3BI      3BI '"(2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4' non-polymer        71  43 .
3BK      3BK '(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dic' non-polymer        47  29 .
3BM      3BM '2-[(2-chloro-4-iodophenyl)amino]-N-{' non-polymer        40  26 .
3BN      3BN '3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYC' non-polymer        71  38 .
3BP      3BP '"2-(3-BIPHENYL-4-YL-2-ETHANESULFONYL' non-polymer        78  42 .
3BR      3BR '1-BROMOPROPANE                      ' non-polymer        11   4 .
3BS      3BS '3-chloro-4-{[(1-hydroxy-2,2,6,6-tetr' non-polymer        51  26 .
3BT      3BT '2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETH' non-polymer        36  18 .
3BZ      3BZ '3-chlorobenzoate                    ' non-polymer        14  10 .
3C3      3C3 '"4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,' non-polymer        35  20 .
3C4      3C4 '(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACI' non-polymer        18  12 .
3CA      3CA '.                                   ' non-polymer        25  18 .
3CB      3CB 'N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUC' non-polymer        77  41 .
3CC      3CC 'N-[(2R)-5-(aminosulfonyl)-2,3-dihydr' non-polymer        49  23 .
3CE      3CE '3-chlorobenzene-1,2-diol            ' non-polymer        14   9 .
3CF      3CF '3-cyano-L-phenylalanine             ' peptide            23  14 .
3CH      3CH '3-CHLOROPHENOL                      ' non-polymer        13   8 .
3CL      3CL '3-CHLOROPROPANOL                    ' non-polymer        12   5 .
3CM      3CM '3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCO' pyranose           70  32 .
3CN      3CN '3-AMINOPROPANE                      ' non-polymer        13   4 .
3CO      3CO 'COBALT (III) ION                    ' non-polymer         1   1 .
3CP      3CP '3-CARBOXYPROPYL-COENZYME A          ' non-polymer        91  54 .
3CS      3CS '"3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IO' non-polymer        79  43 .
3CU      3CU 'CASUARINE                           ' non-polymer        29  14 .
3CY      3CY '"(3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA' non-polymer        77  45 .
3CZ      3CZ '(2R)-1-[(4-tert-butylphenyl)sulfonyl' non-polymer        56  29 .
3D1      3D1 '(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)' non-polymer        31  18 .
3D3      3D3 '2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETA' non-polymer        23  15 .
3DA      3DA '3'-DEOXYADENOSINE-5'-MONOPHOSPHATE  ' non-polymer        34  22 .
3DD      3DD '(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]' non-polymer        29  18 .
3DE      3DE '3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-' non-polymer        35  18 .
3DG      3DG '9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUAN' non-polymer        32  19 .
3DH      3DH '5'-S-ethyl-5'-thioadenosine         ' non-polymer        38  21 .
3DM      3DM '2,6-dimethoxyphenol                 ' non-polymer        21  11 .
3DP      3DP '3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANES' non-polymer        47  18 .
3DR      3DR '1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHA' DNA                21  12 .
3DS      3DS '(4S,5R)-4,5-dihydroxy-3-oxocyclohex-' non-polymer        19  12 .
3DT      3DT '3-methylthymidine                   ' non-polymer        34  18 .
3EA      3EA '"2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYL' non-polymer        56  34 .
3EJ      3EJ '"4-[(5-{2-[(3-fluorobenzyl)carbamoyl' non-polymer        48  32 .
3EK      3EK '"trans-4-[(3-{2-[(4-fluorobenzyl)car' non-polymer        58  33 .
3EP      3EP 'TRIETHYLPHOSPHANE                   ' non-polymer        22   7 .
3ET      3ET 'O-[(2R)-2-amino-3-(D-seryloxy)propan' non-polymer        49  29 .
3EV      3EV '(1S,3S,5Z,7E,14beta,17alpha)-9,10-se' non-polymer        74  30 .
3F1      3F1 'N-{[4-(benzyloxy)phenyl](methyl)-lam' non-polymer        48  27 .
3FA      3FA '3-FLUOROBENZENE-1,2-DIOL            ' non-polymer        14   9 .
3FC      3FC '"(1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUO' non-polymer        73  41 .
3FD      3FD '4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4' non-polymer        61  38 .
3FG      3FG '(2S)-amino(3,5-dihydroxyphenyl)ethan' peptide            21  13 .
3FI      3FI '"3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tet' non-polymer        42  25 .
3FL      3FL '"3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahy' non-polymer        46  25 .
3FM      3FM '3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSID' pyranose           28  15 .
3FN      3FN '6-(2,4-difluorophenoxy)-8-methyl-2-(' non-polymer        46  28 .
3FP      3FP '(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-' non-polymer        56  33 .
3FQ      3FQ '(2S)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-' non-polymer        59  34 .
3FR      3FR '"3'-chloro-5'-(3-methyl-6-{[(1S)-1-p' non-polymer        59  35 .
3FT      3FT '.                                   ' non-polymer        43  29 .
3FZ      3FZ '3-formylbenzenecarboximidamide      ' non-polymer        19  11 .
3G3      3G3 '2-[2-(1H-tetrazol-5-yl)ethyl]-1H-iso' non-polymer        27  18 .
3G4      3G4 '2-(6-{[(3-chloro-2-methylphenyl)sulf' non-polymer        48  26 .
3GA      3GA '(3S)-3-[(2S)-2-amino-3-oxopropyl]pip' non-polymer        32  14 .
3GC      3GC 'GAMMA-GLUTAMYLCYSTEINE              ' non-polymer        28  16 .
3GL      3GL '(2S,4S)-2-amino-4-hydroxy-pentanedio' peptide            18  11 .
3GN      3GN '2-[(2S)-2-methylpyrrolidin-2-yl]-1H-' non-polymer        34  18 .
3GO      3GO '4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quin' non-polymer        66  40 .
3GP      3GP 'GUANOSINE-3'-MONOPHOSPHATE          ' non-polymer        36  24 .
3GR      3GR 'GLYCERALDEHYDE                      ' non-polymer        12   6 .
3GU      3GU 'N6-cyclopentyladenosine             ' non-polymer        45  24 .
3GV      3GV '(3S)-1-(2-hydroxyphenyl)-5-oxopyrrol' non-polymer        26  16 .
3H1      3H1 '3-chloro-4,6-dihydroxy-2-methyl-5-{(' non-polymer        57  28 .
3HA      3HA '3-HYDROXYANTHRANILIC ACID           ' non-polymer        17  11 .
3HB      3HB '3-HYDROXYBENZOIC ACID               ' non-polymer        15  10 .
3HC      3HC '3-HYDROXYBUTANOYL-COENZYME A        ' non-polymer        92  54 .
3HD      3HD '3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL ' non-polymer        26  12 .
3HG      3HG '3-HYDROXYPENTANEDIOIC ACID          ' non-polymer        16  10 .
3HI      3HI '"(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2' non-polymer        76  42 .
3HL      3HL '(3S)-3-HYDROXYBUTANOIC ACID         ' non-polymer        14   7 .
3HM      3HM '5-hydroxy-6-methylpyridine-3-carboxy' non-polymer        17  11 .
3HP      3HP '3-HYDROXYPHENYLACETATE              ' non-polymer        18  11 .
3HT      3HT '5-[1-(4-methoxyphenyl)-1H-benzimidaz' non-polymer        35  23 .
3HX      3HX '(4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HY' non-polymer        39  18 .
3IB      3IB '3-INDOLEBUTYRIC ACID                ' non-polymer        27  15 .
3ID      3ID '3H-INDOLE-5,6-DIOL                  ' non-polymer        18  11 .
3IG      3IG 'N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDI' non-polymer        55  29 .
3IH      3IH 'N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]A' non-polymer        97  49 .
3II      3II 'N-[2-(2,4-dichlorophenyl)ethyl]-2-{8' non-polymer        77  43 .
3IL      3IL '3-(INDOL-3-YL) LACTATE              ' non-polymer        25  15 .
3IN      3IN 'N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R' non-polymer       106  51 .
3IO      3IO '3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACI' non-polymer        23  15 .
3IP      3IP '3-(BENZYLOXY)PYRIDIN-2-AMINE        ' non-polymer        27  15 .
3JZ      3JZ 'N-methyl-N-{2-[({2-[(2-oxo-2,3-dihyd' non-polymer        56  35 .
3KC      3KC '3-chloro-4-(4H-3,4,7-triazadibenzo[c' non-polymer        37  25 .
3KE      3KE '"4-{[({3-[2-(4-methoxybenzyl)-2H-tet' non-polymer        53  33 .
3KR      3KR '1-(2-methoxyethyl)-N-oxo-4-({4-[4-(t' non-polymer        58  35 .
3L1      3L1 '(2S,3R,5S)-5-(6-amino-9H-purin-9-yl)' non-polymer        31  18 .
3LA      3LA '3-OXODODECANOIC ACID                ' non-polymer        36  15 .
3LG      3LG '"(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL' non-polymer        76  42 .
3LP      3LP '1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-' non-polymer        57  25 .
3LR      3LR '3,6-dideoxy-L-arabino-hexonic acid  ' non-polymer        22  11 .
3MA      3MA '6-AMINO-3-METHYLPURINE              ' non-polymer        19  11 .
3MB      3MB '3-METHOXYBENZAMIDE                  ' non-polymer        20  11 .
3MC      3MC '3-METHYLCYTOSINE                    ' non-polymer        17   9 .
3ME      3ME '"PHOSPHORIC ACID MONO-[4-[2-(2-DIMET' non-polymer        57  29 .
3MF      3MF '3-O-METHYLFRUCTOSE IN LINEAR FORM   ' non-polymer        27  13 .
3MG      3MG '3-O-methyl-beta-D-glucopyranose     ' pyranose           27  13 .
3ML      3ML '[(2S)-3-methyl-5-oxo-2,5-dihydrofura' non-polymer        18  11 .
3MM      3MM '(1R)-1-CARBOXY-N,N,N-TRIMETHYL-3-(ME' non-polymer        29  12 .
3MN      3MN '3-({3-[3-(1H-IMIDAZOL-1-YL)PROPYL]-5' non-polymer        60  35 .
3MO      3MO '3-METHYL-1,3-OXAZOLIDIN-2-ONE       ' non-polymer        14   7 .
3MP      3MP '3-METHYLPYRIDINE                    ' non-polymer        14   7 .
3MQ      3MQ '(5-thiophen-2-ylisoxazol-3-yl)methan' non-polymer        19  12 .
3MR      3MR '(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-' non-polymer        79  37 .
3MS      3MS 'N-{3-[4-hydroxy-1-(3-methylbutyl)-2-' non-polymer        56  33 .
3MT      3MT '3-METHYLTHIAZOLIUM ION              ' non-polymer        12   6 .
3MY      3MY '3-chloro-D-tyrosine                 ' peptide            23  14 .
3N1      3N1 '(5-chloro-3-methyl-1-benzothiophen-2' non-polymer        23  15 .
3N2      3N2 '(5-chloro-1-benzothiophen-3-yl)aceti' non-polymer        20  14 .
3N3      3N3 '(2S)-1-[(benzyloxy)carbonyl]-2,3-dih' non-polymer        36  22 .
3N4      3N4 'naphtho[2,1-b]thiophen-1-ylacetic ac' non-polymer        26  17 .
3N5      3N5 '(2R)-1-[(benzyloxy)carbonyl]-2,3-dih' non-polymer        36  22 .
3N6      3N6 'N-{(1S)-5-amino-1-[(4-pyridin-4-ylpi' non-polymer       101  54 .
3N7      3N7 'N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)' non-polymer        44  26 .
3NA      3NA '{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZO' non-polymer        36  26 .
3NF      3NF 'N-acetyl-L-tyrosine                 ' non-polymer        28  16 .
3NH      3NH '"(3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3' non-polymer        89  46 .
3NI      3NI 'NICKEL (III) ION                    ' non-polymer         1   1 .
3NM      3NM '4-methyl-5-[2-(phosphonooxy)ethyl]-1' non-polymer        23  16 .
3NP      3NP '3-NITROPROPANOIC ACID               ' non-polymer        12   8 .
3NT      3NT '3-NITROTOLUENE                      ' non-polymer        17  10 .
3NW      3NW '1-[2-(2-{[2-(dimethylamino)ethyl]ami' non-polymer        68  34 .
3OB      3OB '3-chloro-5-({6-[2-(3,4-dihydroisoqui' non-polymer        56  33 .
3OC      3OC '(1R)-3-oxocyclohexanecarboxylic acid' non-polymer        19  10 .
3OD      3OD '.                                   ' non-polymer        62  39 .
3OG      3OG '(1S)-1-[(2R)-6-oxotetrahydro-2H-pyra' non-polymer        54  22 .
3OH      3OH '3-HYDROXY-PROPANOIC ACID            ' non-polymer        11   6 .
3OL      3OL '1-OCTEN-3-OL                        ' non-polymer        25   9 .
3ON      3ON '(3R)-3-HYDROXY-8'-APOCAROTENOL      ' non-polymer        74  32 .
3P4      3P4 '5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXY' non-polymer        61  32 .
3PA      3PA '3-CYCLOPENTYL-PROPIONIC ACID        ' non-polymer        23  10 .
3PB      3PB '(3R)-3-(phosphonooxy)butanoic acid  ' non-polymer        17  11 .
3PC      3PC '(3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHO' non-polymer        72  30 .
3PD      3PD '2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENT' non-polymer        35  23 .
3PE      3PE '1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHAN' non-polymer       133  51 .
3PG      3PG '3-PHOSPHOGLYCERIC ACID              ' non-polymer        15  11 .
3PH      3PH '1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE  ' non-polymer       123  48 .
3PI      3PI '"(1S)-2-(1-HYDROXYBUTOXY)-1-{[(HYDRO' non-polymer        69  39 .
3PL      3PL '3-PHENYLPROPANAL                    ' non-polymer        20  10 .
3PO      3PO 'TRIPHOSPHATE                        ' non-polymer        13  13 .
3PP      3PP '3-PHOSPHONOPROPANOIC ACID           ' non-polymer        15   9 .
3PY      3PY '3-HYDROXYPYRUVIC ACID               ' non-polymer        10   7 .
3QC      3QC '(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TET' non-polymer        48  24 .
3SA      3SA 'ACARBOSE DERIVED TRISACCHARIDE      ' non-polymer        66  33 .
3SC      3SC '5-(2,3-dichlorophenyl)-N-(pyridin-4-' non-polymer        40  28 .
3SL      3SL '(2R)-3-SULFOLACTIC ACID             ' non-polymer        15  10 .
3SP      3SP 'N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALA' non-polymer        64  32 .
3SZ      3SZ '3-{[4-(2,3-dihydro-1,4-benzodioxin-6' non-polymer        53  30 .
3TC      3TC '4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)' non-polymer        26  15 .
3TH      3TH '2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRA' non-polymer        35  23 .
3TL      3TL '"benzyl [(1S,4S,7S,8R,9R,10S,13S,16S' non-polymer       130  66 .
3TN      3TN '"(2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,' non-polymer        55  28 .
3TO      3TO '3-[2-(3-{[(furan-2-ylmethyl)(methyl)' non-polymer        47  24 .
3TP      3TP '(2S,3S)-3-{3-[4-(METHYLSULFONYL)PHEN' non-polymer        48  26 .
3TR      3TR '3-AMINO-1,2,4-TRIAZOLE              ' non-polymer        10   6 .
3TY      3TY '3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROX' peptide            39  23 .
3UN      3UN '"(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-' non-polymer        65  33 .
3XH      3XH '3-Hydroxyhippuric acid              ' non-polymer        22  14 .
3YP      3YP '3-CYCLOPENTYL-N-HYDROXYPROPANAMIDE  ' non-polymer        26  11 .
400      400 '3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENY' non-polymer        66  36 .
401      401 '"(2S)-2-{3-[({[2-fluoro-4-(trifluoro' non-polymer        50  30 .
403      403 '(2R,3R)-4-[4-(2-chlorophenyl)piperaz' non-polymer        53  29 .
406      406 '"N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4' non-polymer        73  42 .
40A      40A 'N-[(2S)-2-aminopropyl]-N-[(6-amino-9' non-polymer        38  22 .
40C      40C 'N-[(4-amino-2-oxopyrimidin-1(2H)-yl)' non-polymer        36  20 .
40G      40G 'N-[(2-amino-6-oxo-1,6-dihydro-9H-pur' non-polymer        39  23 .
40T      40T 'N-[(2S)-2-aminopropyl]-N-[(5-methyl-' non-polymer        38  21 .
410      410 '"4-bromo-3-(carboxymethoxy)-5-{3-[cy' non-polymer        57  35 .
411      411 '3-bromo-N-[4-[1-(2-carbamimidamido-2' non-polymer        56  34 .
412      412 '(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DI' non-polymer        37  19 .
413      413 '"(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-P' non-polymer        69  40 .
414      414 '"(5R,6R,8S)-8-(3-{[AMINO(IMINO)METHY' non-polymer        66  36 .
416      416 '(2S)-7-tert-butyl-6-chloro-2-(triflu' non-polymer        35  22 .
417      417 '(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,' non-polymer        48  29 .
418      418 '"2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3' non-polymer        82  49 .
419      419 'N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl' non-polymer        80  38 .
41A      41A '5,5-dimethyl-2-morpholin-4-yl-5,6-di' non-polymer        36  18 .
420      420 'N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-' non-polymer        44  24 .
421      421 '"6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METH' non-polymer        47  28 .
422      422 '3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL' non-polymer        53  29 .
426      426 '6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYC' non-polymer        51  28 .
427      427 '(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DI' non-polymer        31  17 .
428      428 '2-(1-methylethyl)imidazo[1,2-b]pyrid' non-polymer        24  13 .
429      429 '"2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMET' non-polymer        66  37 .
42B      42B '4-AMINO-2-HYDROXYBUTANOIC ACID      ' non-polymer        16   8 .
42C      42C 'N,N-dimethyl-7H-purin-6-amine       ' non-polymer        21  12 .
42D      42D '"3,5-dideoxy-5-[(methoxycarbonyl)ami' non-polymer        40  22 .
433      433 '"2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PH' non-polymer        65  38 .
434      434 '.                                   ' non-polymer        59  41 .
437      437 '1-{(3E)-5-tert-butyl-2-[4-(hydroxyme' non-polymer        57  31 .
438      438 '.                                   ' non-polymer        78  44 .
43A      43A '(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3' non-polymer        41  25 .
43B      43B '3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-' non-polymer        78  48 .
43M      43M '4-CHLORO-3-METHYLPHENOL             ' non-polymer        16   9 .
43P      43P '4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-' non-polymer        34  20 .
440      440 '3-{[4-(but-2-yn-1-yloxy)phenyl]sulfo' non-polymer        34  18 .
442      442 '2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDRO' non-polymer        54  31 .
443      443 '1-(1-{(2S)-3-[(6-chloronaphthalen-2-' non-polymer        58  32 .
444      444 'N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2' non-polymer        43  31 .
445      445 'N-[oxo(phenylamino)acetyl]-beta-D-gl' non-polymer        41  23 .
446      446 '"4-[(4-{[6-bromo-3-(methoxycarbonyl)' non-polymer        59  37 .
447      447 'N-(4-{[6-methoxy-7-(3-morpholin-4-yl' non-polymer        69  38 .
448      448 '(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROME' non-polymer        46  29 .
44B      44B '1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-' non-polymer        30  22 .
44C      44C '.                                   ' non-polymer        62  37 .
44D      44D '7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TET' non-polymer        83  46 .
44P      44P '5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PH' non-polymer        41  25 .
44U      44U 'beta-phenyl-D-phenylalanyl-N-propyl-' non-polymer        57  28 .
451      451 'N-(6,7,9,10,17,18,20,21-octahydrodib' non-polymer        57  30 .
452      452 '2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHE' non-polymer        38  25 .
454      454 '8,8-diphenyl-2,3,4,8-tetrahydroimida' non-polymer        40  22 .
455      455 '"(3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4' non-polymer        57  36 .
458      458 '4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-ME' non-polymer        39  19 .
459      459 '4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8' non-polymer        44  20 .
45B      45B '4-{[2-({4-[2-(4-acetylpiperazin-1-yl' non-polymer        72  43 .
45C      45C '4,5-dichlorobenzene-1,2-diol        ' non-polymer        14  10 .
45P      45P '3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO' non-polymer        42  29 .
45U      45U '(S)-N-(4-carbamimidoylbenzyl)-1-(2-(' non-polymer        55  27 .
460      460 '2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHY' non-polymer        37  22 .
462      462 'N-[amino(imino)methyl]-2-[2-(2-chlor' non-polymer        51  29 .
464      464 '3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OX' non-polymer        67  37 .
468      468 '(3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-C' non-polymer        46  23 .
469      469 '2-(6-chloro-5-{[(2R,5S)-4-(4-fluorob' non-polymer        66  36 .
46C      46C '"4-[(6-chloro-1-oxo-4-phenyl-3-propa' non-polymer        51  32 .
46D      46D '"(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-CAR' pyranose           49  29 .
46M      46M '"(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-' pyranose           30  17 .
46U      46U '(S)-N-(4-carbamimidoylbenzyl)-1-(2-(' non-polymer        58  28 .
471      471 '"N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[' non-polymer        81  45 .
472      472 '(5S)-2-amino-3-methyl-5-pyridin-4-yl' non-polymer        43  26 .
474      474 '(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRRO' non-polymer        62  32 .
475      475 'N-[oxo(pyridin-2-ylamino)acetyl]-bet' non-polymer        40  23 .
478      478 '"{3-[(4-AMINO-BENZENESULFONYL)-ISOBU' non-polymer        70  35 .
47C      47C '2'-DEOXY-N-(PROP-2-EN-1-YLOXY)CYTIDI' DNA                40  24 .
47D      47D '"{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL' non-polymer        32  23 .
47X      47X '3-(3,4-dihydroxyphenyl)-7-hydroxy-4H' non-polymer        30  20 .
485      485 '"[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPI' non-polymer        50  27 .
486      486 '"11-(4-DIMETHYLAMINO-PHENYL)-17-HYDR' non-polymer        67  32 .
48B      48B '2-chloro-N-[4-({5-fluoro-2-[(4-hydro' non-polymer        49  32 .
48D      48D '(4E,6S,7S,8S,9E)-7-hydroxy-8-methoxy' non-polymer        48  20 .
492      492 '1-(2,2'-bithiophen-5-yl)methanamine ' non-polymer        21  12 .
493      493 '"{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-Y' non-polymer        80  45 .
497      497 '6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETH' non-polymer        52  28 .
49A      49A '4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-AC' non-polymer        38  20 .
49U      49U '(S)-N-(4-carbamimidoylbenzyl)-1-(3-c' non-polymer        57  27 .
4A3      4A3 '4-AMINO-3-HYDROXYBENZOIC ACID       ' non-polymer        17  11 .
4AA      4AA '4-CHLORO-3-HYDROXYANTHRANILIC ACID  ' non-polymer        17  12 .
4AB      4AB '2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-' non-polymer        33  17 .
4AC      4AC 'N(4)-ACETYLCYTIDINE-5'-MONOPHOSPHATE' RNA                38  24 .
4AD      4AD '.                                   ' non-polymer        51  31 .
4AF      4AF '4-ACETYL-L-PHENYLALANINE            ' non-polymer        27  15 .
4AH      4AH '.                                   ' non-polymer        95  50 .
4AL      4AL '[4-(aminomethyl)phenyl]methanol     ' non-polymer        21  10 .
4AM      4AM '4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAM' non-polymer        37  20 .
4AN      4AN '6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DI' non-polymer        24  16 .
4AP      4AP '4-AMINOPYRIDINE                     ' non-polymer        14   7 .
4AT      4AT '5-OXOHEXANOIC ACID                  ' non-polymer        18   9 .
4AX      4AX '(R)-4-AMINO-ISOXAZOLIDIN-3-ONE      ' non-polymer        13   7 .
4AZ      4AZ '4-(aminomethyl)benzoic acid         ' non-polymer        19  11 .
4B3      4B3 '"4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3' non-polymer        57  31 .
4BA      4BA '4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-BE' non-polymer        27  16 .
4BB      4BB '"4-tert-butyl-N'-[(1E)-(3,5-dibromo-' non-polymer        43  25 .
4BC      4BC '"4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL' non-polymer        42  27 .
4BD      4BD '"5'-O-[(S)-{difluoro[(S)-hydroxy(pho' non-polymer        46  31 .
4BE      4BE '4-bromo-N'-[(1E)-(3,5-dibromo-2,4-di' non-polymer        31  22 .
4BF      4BF '4-BROMO-L-PHENYLALANINE             ' peptide            22  13 .
4BG      4BG 'N-[4-(benzyloxy)phenyl]glycinamide  ' non-polymer        35  19 .
4BH      4BH '4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRA' non-polymer        35  20 .
4BL      4BL '6-methyl-1H-indole-2-carboxylic acid' non-polymer        21  13 .
4BM      4BM 'N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,' non-polymer        40  26 .
4BO      4BO '(3S)-3-amino-4-oxo-4-[(4-phenylmetho' non-polymer        40  23 .
4BQ      4BQ '(2S)-2-amino-5-oxo-5-[(4-phenylmetho' non-polymer        43  24 .
4BR      4BR '2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE ' non-polymer        25  13 .
4BS      4BS '4-amino-N-[4-(benzyloxy)phenyl]butan' non-polymer        41  21 .
4BT      4BT '2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETH' non-polymer        36  18 .
4BU      4BU '"(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-' non-polymer        47  26 .
4BX      4BX '3-(1H-benzimidazol-2-yl)propanoic ac' non-polymer        23  14 .
4BY      4BY '5-methyl-1H-indole-2-carboxylic acid' non-polymer        21  13 .
4BZ      4BZ '4-(HYDROXYMETHYL)BENZAMIDINE        ' non-polymer        21  11 .
4C0      4C0 '3-(1H-benzimidazol-2-yl)-N-(3-phenyl' non-polymer        43  25 .
4CA      4CA '4-HYDROXYBENZYL COENZYME A          ' non-polymer        94  56 .
4CB      4CB '4-CARBOXYPHENYLBORONIC ACID         ' non-polymer        18  12 .
4CD      4CD '4-chloro-6-{[(2R)-2-(2-methylphenyl)' non-polymer        41  23 .
4CF      4CF '4-cyano-L-phenylalanine             ' peptide            23  14 .
4CL      4CL '4-CHLOROBENZENE-1,2-DIOL            ' non-polymer        14   9 .
4CM      4CM '(4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSP' non-polymer        24  13 .
4CO      4CO '4-HYDROXYPHENACYL COENZYME A        ' non-polymer        96  58 .
4CP      4CP '2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETY' non-polymer        47  27 .
4CR      4CR '(1R)-4-({[ETHYL(METHYL)AMINO]CARBONY' non-polymer        44  21 .
4CS      4CS '(4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRI' non-polymer        19  10 .
4CT      4CT '(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d' non-polymer        46  26 .
4CY      4CY 'nitrilo-L-methionine                ' peptide            17  10 .
4D7      4D7 '3-(1H-benzimidazol-2-yl)-N-[(2-methy' non-polymer        37  23 .
4D9      4D9 '3-(1H-benzimidazol-2-yl)-N-(1-benzot' non-polymer        40  26 .
4DB      4DB '"(2S)-2-amino-4-[5-(dimethylamino)-1' peptide            37  21 .
4DE      4DE '1-(4-METHOXYPHENYL)-3,5-DIMETHYL-1H-' non-polymer        38  20 .
4DH      4DH '3-(1H-benzimidazol-2-yl)-N-[(1-methy' non-polymer        47  29 .
4DI      4DI '4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARB' non-polymer        28  11 .
4DM      4DM '(4aS,12aS)-3,10,11,12a-tetrahydroxy-' non-polymer        45  28 .
4DP      4DP '3-[5-(DIMETHYLAMINO)-1,3-DIOXO-1,3-D' peptide            34  20 .
4DX      4DX '(1S,2S)-2-methylcyclohexanol        ' non-polymer        22   8 .
4EA      4EA '(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2' non-polymer        50  28 .
4EB      4EB '"4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL' non-polymer        66  40 .
4F3      4F3 '"[2-(1-AMINO-2-HYDROXY-PROPYL)-4-(4-' non-polymer        44  26 .
4FA      4FA '4-FLUOROPHENETHYL ALCOHOL           ' non-polymer        19  10 .
4FB      4FB '(4S)-4-FLUORO-L-PROLINE             ' non-polymer        16   9 .
4FC      4FC '.                                   ' non-polymer        24  16 .
4FE      4FE '(2E)-3-(3-hydroxy-4-methoxyphenyl)pr' non-polymer        23  14 .
4FI      4FI '"(2R)-2-[(2-methyl-5-phenyl-pyrazol-' non-polymer        50  30 .
4FP      4FP '4-(4-FLUOROBENZYL)PIPERIDINE        ' non-polymer        30  14 .
4FR      4FR '"3'-chloro-5'-[6-({2-methoxy-4-[(1-m' non-polymer        79  45 .
4FW      4FW '4-FLUOROTRYPTOPHANE                 ' peptide            26  16 .
4FZ      4FZ '4-formylbenzenecarboximidamide      ' non-polymer        19  11 .
4GC      4GC '"Beta-D-glucopyranosyl-(1->4)-beta-D' non-polymer        87  45 .
4GP      4GP 'N-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACID' non-polymer        29  17 .
4HA      4HA '4-HYDROXYBUTAN-1-AMINIUM            ' non-polymer        18   6 .
4HC      4HC '4-HYDROXY-2H-CHROMEN-2-ONE          ' non-polymer        18  12 .
4HD      4HD '(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy' non-polymer        56  25 .
4HF      4HF '"N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,' non-polymer        52  31 .
4HG      4HG 'N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL' non-polymer        27  19 .
4HI      4HI '"(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4' non-polymer        67  36 .
4HL      4HL '4-(HYDRAZINOMETHYL)PHENOL           ' non-polymer        20  10 .
4HM      4HM '4-HYDROPEROXY-2-METHOXY-PHENOL      ' non-polymer        19  11 .
4HP      4HP '4-HYDROXYPHENYLACETATE              ' non-polymer        18  11 .
4HT      4HT '4-HYDROXYTRYPTOPHAN                 ' peptide            27  16 .
4HX      4HX '(4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMI' non-polymer        46  24 .
4HY      4HY '[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DI' non-polymer        29  21 .
4IG      4IG '(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN' non-polymer        59  34 .
4IN      4IN '4-AMINO-L-TRYPTOPHAN                ' peptide            28  16 .
4IP      4IP 'INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE' non-polymer        36  28 .
4JZ      4JZ '1-[5-tert-butyl-2-(4-methylphenyl)-1' non-polymer        60  33 .
4LG      4LG '"METHYL (6-{[(2R)-1-(4-{3-[(2-METHOX' non-polymer        80  43 .
4MA      4MA '4-METHYLBENZOIC ACID                ' non-polymer        17  10 .
4MB      4MB '4-[(METHYLSULFONYL)AMINO]BENZOIC ACI' non-polymer        22  14 .
4MC      4MC '(Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL' non-polymer        82  41 .
4MD      4MD 'N-(4-chlorobenzyl)-N-methylbenzene-1' non-polymer        38  23 .
4MF      4MF '1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYT' non-polymer        38  22 .
4ML      4ML '[(2S)-2-methyl-5-oxo-2,5-dihydrofura' non-polymer        18  11 .
4MM      4MM '(1S)-1-carboxy-N,N,N-trimethyl-3-(me' non-polymer        29  12 .
4MO      4MO 'MOLYBDENUM(IV) ION                  ' non-polymer         1   1 .
4MP      4MP '1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE' non-polymer        29  16 .
4MR      4MR '5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2' non-polymer        56  34 .
4MS      4MS 'N-({3-[(5S)-5-tert-butyl-1-(3-chloro' non-polymer        62  37 .
4MU      4MU '7-hydroxy-4-methyl-2H-chromen-2-one ' non-polymer        21  13 .
4MV      4MV '4-METHYL VALERIC ACID               ' non-polymer        19   8 .
4MZ      4MZ '4-METHYLIMIDAZOLE                   ' non-polymer        12   6 .
4NA      4NA '1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHT' non-polymer        30  19 .
4NB      4NB '4-NITROBENZOIC ACID                 ' non-polymer        16  12 .
4NC      4NC '4-NITROCATECHOL                     ' non-polymer        16  11 .
4ND      4ND 'N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUAN' non-polymer        35  20 .
4NH      4NH '4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL' non-polymer        50  27 .
4NI      4NI '4-nitrobutanoic acid                ' non-polymer        15   9 .
4NL      4NL '4-AMINOPHENOL                       ' non-polymer        15   8 .
4NM      4NM '4-NITROPHENYL METHANETHIOL          ' non-polymer        19  11 .
4NP      4NP '4-NITROPHENYL PHOSPHATE             ' non-polymer        18  14 .
4NS      4NS '4-nitrophenyl sulfate               ' non-polymer        19  14 .
4OA      4OA '(3beta,5beta,14beta,17alpha)-3-hydro' non-polymer        66  27 .
4OC      4OC '4N,O2'-METHYLCYTIDINE-5'-MONOPHOSPHA' RNA                39  23 .
4OX      4OX '4-OXODECANEDIOIC ACID               ' non-polymer        29  15 .
4P5      4P5 '4H-furo[3,2-b]pyrrole-5-carboxylic a' non-polymer        15  11 .
4PA      4PA 'PROPYL ACETATE                      ' non-polymer        17   7 .
4PB      4PB 'N-HYDROXY-4-PHOSPHONO-BUTANAMIDE    ' non-polymer        19  11 .
4PC      4PC '"3-(2'-DEOXY-5-O-PHOSPHONO-BETA-D-ER' DNA                37  23 .
4PD      4PD '"3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERY' DNA                37  23 .
4PE      4PE '"3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERY' DNA                37  23 .
4PG      4PG '1-[4-(2-oxo-2-phenylethyl)phenyl]gua' non-polymer        34  19 .
4PH      4PH '4-methyl-L-phenylalanine            ' peptide            25  13 .
4PI      4PI 'N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDI' non-polymer        45  22 .
4PN      4PN '4-PIPERIDINO-PIPERIDINE             ' non-polymer        32  12 .
4PO      4PO 'alpha-(4-pyridyl-1-oxide)-N-tert-but' non-polymer        28  14 .
4PP      4PP '.                                   ' non-polymer        52  29 .
4PR      4PR '(3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)' non-polymer        80  39 .
4PS      4PS '.                                   ' non-polymer        47  26 .
4PT      4PT '"(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DI' non-polymer        72  43 .
4PY      4PY '(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYR' non-polymer        49  29 .
4PZ      4PZ '4-methyl-1H-pyrazole                ' non-polymer        12   6 .
4QB      4QB '"3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMI' non-polymer        67  37 .
4QC      4QC '"3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIP' non-polymer        65  39 .
4R8      4R8 '(6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,1' non-polymer        56  25 .
4RB      4RB '"4-(6-{[(1R)-1-(hydroxymethyl)propyl' non-polymer        41  24 .
4SC      4SC '.                                   ' non-polymer        37  20 .
4SM      4SM 'TETRATHIOMOLYBDATE                  ' non-polymer         5   5 .
4SP      4SP '.                                   ' non-polymer        50  28 .
4ST      4ST '1,2,3,4-TETRAHYDROGEN-STAUROSPORINE ' non-polymer        65  35 .
4SU      4SU '4-THIOURIDINE-5'-MONOPHOSPHATE      ' RNA                32  21 .
4TA      4TA 'P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THY' non-polymer        76  51 .
4TB      4TB '4-(2-THIENYL)BUTYRIC ACID           ' non-polymer        20  11 .
4TC      4TC '.                                   ' non-polymer        78  51 .
4TN      4TN '"(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAME' non-polymer        58  29 .
4TP      4TP '4-HYDROXY-L-THREONINE-5-MONOPHOSPHAT' non-polymer        20  13 .
4TR      4TR '"2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,' non-polymer        40  27 .
4TZ      4TZ '4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL' non-polymer        40  26 .
4UB      4UB '3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[' non-polymer        31  20 .
4UN      4UN '{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL' non-polymer        53  32 .
4VQ      4VQ '4-[3-amino-6-(3,4,5-trimethoxyphenyl' non-polymer        49  29 .
501      501 'N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL' non-polymer        45  24 .
505      505 '(2R)-1-(2,6-dimethylphenoxy)propan-2' non-polymer        30  13 .
507      507 '1-{3-[6-(tetrahydro-2H-pyran-4-ylami' non-polymer        45  25 .
509      509 '4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLT' non-polymer        27  20 .
50U      50U '(S)-N-(4-carbamimidoylbenzyl)-1-(3-c' non-polymer        60  28 .
50X      50X '(2R,3R)-4-[(2R)-2-(3-chlorophenyl)py' non-polymer        67  41 .
512      512 '4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-' non-polymer        17  14 .
514      514 '(3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-D' non-polymer        31  20 .
515      515 '"3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARB' non-polymer        87  53 .
516      516 'N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-na' non-polymer        72  36 .
517      517 '1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)E' non-polymer        35  21 .
518      518 'N-[4-(5-{[(1S)-1-cyclohexyl-2-(methy' non-polymer        66  37 .
51P      51P '2-[(Z)-2-(2,4-diaminofuro[2,3-d]pyri' non-polymer        35  21 .
51U      51U 'D-phenylalanyl-N-(3-methylbenzyl)-L-' non-polymer        54  27 .
521      521 '5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,' non-polymer        29  20 .
523      523 '.                                   ' non-polymer        44  29 .
524      524 '(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRR' non-polymer        62  31 .
527      527 '"5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-' non-polymer        60  37 .
528      528 '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(' non-polymer        65  33 .
529      529 '(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZO' non-polymer        44  25 .
52A      52A '(2R,4R)-4-aminopyrrolidine-2,4-dicar' non-polymer        20  12 .
52B      52B '(2S)-6,8-dichloro-2-(trifluoromethyl' non-polymer        23  19 .
52D      52D 'pyridin-4-yl[4-(2-pyrrolidin-1-yleth' non-polymer        42  22 .
52H      52H '5'-O-{[(2R)-2-hydroxy-3,3-dimethylbu' non-polymer        55  31 .
52P      52P '5-(2,6-dichlorophenyl)-2-[(2,4-diflu' non-polymer        37  28 .
52V      52V '"5-[(3S)-3-(5-methoxy-2',6'-dimethyl' non-polymer        55  29 .
530      530 '6-(2,4-difluorophenoxy)-N-(tetrahydr' non-polymer        40  25 .
533      533 '6-(2,4-difluorophenoxy)-8-methyl-2-{' non-polymer        46  30 .
535      535 'ethyl 3-methyl-5,6-dihydroimidazo[2,' non-polymer        24  14 .
537      537 '2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-O' non-polymer        25  17 .
538      538 '.                                   ' non-polymer        70  39 .
53A      53A '"ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2' non-polymer        48  28 .
53H      53H '5'-O-[(3-methyl-D-valyl)sulfamoyl]ad' non-polymer        56  31 .
53N      53N '3-[5-(3-nitrophenyl)thiophen-2-yl]pr' non-polymer        29  19 .
53R      53R '5-[(3R)-3-(5-methoxybiphenyl-3-yl)bu' non-polymer        49  27 .
53S      53S '"5-[(3R)-3-(5-methoxy-4'-methylbiphe' non-polymer        52  28 .
53T      53T '"5-[(3R)-3-(5-methoxy-3',5'-dimethyl' non-polymer        55  29 .
53U      53U 'D-phenylalanyl-N-benzyl-L-prolinamid' non-polymer        51  26 .
53V      53V '"5-[(3R)-3-(5-methoxy-2',6'-dimethyl' non-polymer        55  29 .
541      541 '(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4' non-polymer        59  32 .
542      542 'N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydrox' non-polymer        64  39 .
544      544 '"2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAM' non-polymer        67  38 .
545      545 '"[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPI' non-polymer        66  33 .
547      547 '2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHY' non-polymer        56  30 .
54D      54D 'methyl thiophene-2-carboxylate      ' non-polymer        15   9 .
54H      54H '5'-O-(D-valylsulfamoyl)adenosine    ' non-polymer        53  30 .
550      550 '"methyl (1R,2S)-2-(hydroxycarbamoyl)' non-polymer        55  31 .
552      552 '(6S)-1-chloro-3-[(4-fluorobenzyl)oxy' non-polymer        44  27 .
553      553 '(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-' non-polymer        34  20 .
555      555 '4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE' non-polymer        33  20 .
55E      55E '4-(4-hydroxy-3-methylphenyl)-6-pheny' non-polymer        35  21 .
55F      55F 'N-[4-(5-fluoro-6-methylpyridin-2-yl)' non-polymer        42  27 .
55V      55V '6-methyl-5-[3-methyl-3-(3,4,5-trimet' non-polymer        50  26 .
561      561 '"6-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLA' non-polymer        57  34 .
564      564 '"6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETR' non-polymer        54  29 .
565      565 '(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLU' non-polymer        44  24 .
566      566 '(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRR' non-polymer        43  21 .
567      567 '"2-[[(2R)-1-[[(2S)-5-amino-1-[(4-car' non-polymer        71  41 .
568      568 'N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-' non-polymer        85  45 .
569      569 '(5R)-2-amino-5-(4-fluoro-3-pyrimidin' non-polymer        47  32 .
570      570 '"2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(' non-polymer        70  41 .
571      571 '"5-[(2R)-2-hydroxy-2-phenylacetyl]-3' non-polymer        61  34 .
572      572 '4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-' non-polymer        39  20 .
575      575 '(4Z)-6-bromo-4-({[4-(pyrrolidin-1-yl' non-polymer        47  27 .
576      576 '(3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPE' non-polymer        38  21 .
578      578 '"(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL' non-polymer        57  31 .
57D      57D 'chrysin                             ' non-polymer        29  19 .
580      580 '3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDI' non-polymer        38  22 .
582      582 '5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRA' non-polymer        30  17 .
585      585 '6-({5-fluoro-2-[(3,4,5-trimethoxyphe' non-polymer        57  34 .
586      586 '"N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PR' non-polymer       111  60 .
587      587 'C32-O-(1-METHYL-INDOL-5-YL) 18-HYDRO' non-polymer       143  67 .
588      588 '"2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METH' non-polymer        71  41 .
58Z      58Z '1-[2-(1H-indol-5-yloxy)ethyl]piperid' non-polymer        40  21 .
593      593 '(5S)-2-amino-3-methyl-5-phenyl-5-[(3' non-polymer        49  24 .
595      595 'N-[(1S,5S)-5-{[(4-aminophenyl)sulfon' non-polymer        92  46 .
598      598 '"6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-Y' non-polymer        59  37 .
599      599 '2-[3-{4-chloro-3-[(4-chlorophenyl)et' non-polymer        68  38 .
59A      59A 'N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN' non-polymer        37  19 .
59R      59R '6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl' non-polymer        53  26 .
59W      59W '6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl' non-polymer        53  26 .
5AA      5AA 'N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MO' non-polymer        42  25 .
5AC      5AC '5-amino-1H-imidazole-4-carboxamide  ' non-polymer        15   9 .
5AD      5AD '5'-DEOXYADENOSINE                   ' non-polymer        31  18 .
5AF      5AF '2,5-BIS{[4-(3-PENTYL)DIAMINOMETHYL]P' non-polymer        73  33 .
5AH      5AH '"METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3' non-polymer        98  51 .
5AL      5AL '5'-O-[(R)-{[(2S)-2-aminopropanoyl]ox' non-polymer        46  28 .
5AM      5AM '"BENZYL {(1S)-5-AMINO-1-[(S)-HYDROXY' non-polymer        84  42 .
5AN      5AN '3,5-DIFLUOROANILINE                 ' non-polymer        14   9 .
5AP      5AP '5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENY' non-polymer        45  27 .
5AS      5AS '5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE   ' non-polymer        43  25 .
5AT      5AT '5'-AMINO-5'-DEOXYTHYMIDINE          ' non-polymer        32  17 .
5AX      5AX '2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-' non-polymer        29  14 .
5AZ      5AZ '6-amino-1,3,5-triazin-2(1H)-one     ' non-polymer        12   8 .
5B1      5B1 '5-bromo-1H-indazol-3-amine          ' non-polymer        17  11 .
5B2      5B2 '5-phenyl-1H-indazol-3-amine         ' non-polymer        27  16 .
5B3      5B3 '4-(3-amino-1H-indazol-5-yl)-N-tert-b' non-polymer        44  24 .
5BD      5BD '"N,N'-(9,10-dioxo-9,10-dihydroanthra' non-polymer        54  30 .
5BM      5BM '(2Z)-bis{amino[(2-aminophenyl)sulfan' non-polymer        42  26 .
5BN      5BN '5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(' non-polymer        38  23 .
5BP      5BP 'N-cyclopropyl-4-pyrazolo[1,5-b]pyrid' non-polymer        31  19 .
5BR      5BR '1-BROMOPENTANE                      ' non-polymer        17   6 .
5BU      5BU '5-BROMO-URIDINE-5'-MONOPHOSPHATE    ' RNA                32  22 .
5CA      5CA '5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADEN' non-polymer        48  29 .
5CB      5CB 'N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMET' non-polymer        55  32 .
5CD      5CD '5'-CHLORO-5'-DEOXYADENOSINE         ' non-polymer        31  19 .
5CF      5CF '.                                   ' RNA                33  22 .
5CG      5CG '5'-CHLORO-5'-DEOXY-GUANOSINE        ' non-polymer        32  20 .
5CH      5CH '5-chloro-6'-methyl-3-[4-(methylsulfo' non-polymer        39  24 .
5CL      5CL '1,2,3,4,5-PENTACHLOROBENZENE        ' non-polymer        12  11 .
5CM      5CM '5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPH' DNA                35  21 .
5CN      5CN '"5-CYANO-FURAN-2-CARBOXYLIC ACID [5-' non-polymer        46  25 .
5CP      5CP '[4-({4-[(5-cyclopropyl-1H-pyrazol-3-' non-polymer        47  27 .
5CS      5CS '2-AMINO-3-(CYSTEIN-S-YL)-ISOXAZOLIDI' peptide            30  17 .
5CY      5CY 'N,N'-(dipropyl)-tetramethylindodicar' non-polymer        74  35 .
5DE      5DE '1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PY' non-polymer        36  19 .
5DP      5DP '5-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2' non-polymer        91  45 .
5DS      5DS '(R)-1-AMINO-1-[5-(DIMETHYLAMINO)-1,3' non-polymer        25  14 .
5EA      5EA '5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOP' non-polymer        50  31 .
5EE      5EE '5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-T' non-polymer        35  25 .
5F1      5F1 '5'-FLUORO-2',5'-DIDEOXYADENOSINE    ' non-polymer        30  18 .
5FA      5FA 'ADENOSINE-5'-PENTAPHOSPHATE         ' non-polymer        51  39 .
5FB      5FB '4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidi' non-polymer        42  29 .
5FC      5FC '5-FORMYL-2'-DEOXY-CYTIDINE-5'-MONOPH' DNA                34  22 .
5FD      5FD '5'-FLUORO-5'-DEOXYADENOSINE         ' non-polymer        33  19 .
5FE      5FE '"5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5' non-polymer        96  49 .
5FH      5FH '(5S)-5-benzylimidazolidine-2,4-dione' non-polymer        24  14 .
5FN      5FN '(3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDRO' non-polymer        27  15 .
5FP      5FP '"5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5' non-polymer        92  48 .
5FR      5FR '4-({1-[3-(3-amino-3-oxopropyl)-5-chl' non-polymer        75  41 .
5FU      5FU '5-FLUORO-URIDINE-5'-MONOPHOSPHATE   ' non-polymer        32  22 .
5GP      5GP 'GUANOSINE-5'-MONOPHOSPHATE          ' non-polymer        36  24 .
5H1      5H1 '1H-indol-5-ol                       ' non-polymer        17  10 .
5HA      5HA '"N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLA' non-polymer        79  41 .
5H       5H  '5R-(4-BROMOPHENYLMETHYL)-3-(BENZENES' non-polymer        38  25 .
5HD      5HD '5-(2-hydroxyethyl)nonane-1,9-diol   ' non-polymer        38  14 .
5HE      5HE '(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicos' non-polymer        52  23 .
5HG      5HG '{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]ME' non-polymer        30  18 .
5HI      5HI '"(3R,5R)-7-[2-(4-fluorophenyl)-4-{[(' non-polymer        71  38 .
5HT      5HT '5-HYDROXY-THYMIDINE                 ' non-polymer        34  18 .
5HU      5HU '5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-M' DNA                35  22 .
5I5      5I5 '7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-I' non-polymer        32  19 .
5IC      5IC '5-IODO-CYTIDINE-5'-MONOPHOSPHATE    ' RNA                33  22 .
5ID      5ID '(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-P' non-polymer        33  20 .
5IG      5IG '6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL' non-polymer        55  28 .
5IN      5IN 'N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[' non-polymer        73  40 .
5IP      5IP '"(1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOH' non-polymer        39  32 .
5IQ      5IQ 'ISOQUINOLIN-5-AMINE                 ' non-polymer        19  11 .
5IU      5IU '5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPH' DNA                31  21 .
5JZ      5JZ 'N~2~-{4-[6-(3,4-dihydroquinolin-1(2H' non-polymer        87  49 .
5LK      5LK '4-{(6R,7R)-7-amino-3-[3-(4-methylpip' non-polymer        56  30 .
5MB      5MB '5-METHYLBENZIMIDAZOLE               ' non-polymer        18  10 .
5MC      5MC '5-METHYLCYTIDINE-5'-MONOPHOSPHATE   ' RNA                36  22 .
5MD      5MD '5-METHYL-2'-DEOXYPSEUDOURIDINE      ' non-polymer        31  17 .
5MP      5MP '5-METHYLPYRROLE                     ' non-polymer        13   6 .
5MR      5MR 'NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)P' non-polymer        69  40 .
5MS      5MS 'N-{2-methyl-5-[(6-phenylpyrimidin-4-' non-polymer        43  25 .
5MU      5MU '.                                   ' RNA                35  22 .
5MY      5MY 'MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHO' non-polymer        39  32 .
5NA      5NA '2-hydroxy-5-methyl naphthoic acid   ' non-polymer        24  15 .
5NC      5NC '5-AZA-CYTIDINE-5'MONOPHOSPHATE      ' DNA                31  20 .
5NH      5NH '.                                   ' non-polymer       111  53 .
5NI      5NI '5-NITROINDAZOLE                     ' non-polymer        17  12 .
5NS      5NS '5-aminonaphthalene-1-sulfonic acid  ' non-polymer        24  15 .
5OB      5OB '5-METHOXYBENZIMIDAZOLE              ' non-polymer        19  11 .
5OH      5OH '"(2S)-amino[(4R,6S)-2-amino-6-hydrox' peptide            24  13 .
5OP      5OP '(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA' non-polymer        54  25 .
5PA      5PA '"N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer        36  22 .
5PC      5PC '5(1-PROPYNYL)-2'-DEOXYCYTIDINE-5'-MO' DNA                37  23 .
5PG      5PG '(2S)-(4-hydroxyphenyl)(methylamino)e' M-peptide          23  13 .
5PH      5PH '"5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLC' non-polymer        62  36 .
5PI      5PI 'N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTO' non-polymer        82  43 .
5PM      5PM '4,4'-sulfanediylbis{N-[(1E)-pyridin-' non-polymer        47  29 .
5PP      5PP '5-PENTYL-2-PHENOXYPHENOL            ' non-polymer        39  19 .
5PV      5PV '5-PHENYLVALERIC ACID                ' non-polymer        26  13 .
5PY      5PY '"1-(2'-DEOXY-5'-O-PHOSPHONO-BETA-D-E' DNA                33  20 .
5QC      5QC '"1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6' non-polymer        70  43 .
5R1      5R1 '4-[3-amino-6-(3,4,5-trimethoxyphenyl' non-polymer        50  30 .
5RM      5RM '(5R)-5-(4-methoxy-3-propoxyphenyl)-5' non-polymer        38  19 .
5RP      5RP 'RIBULOSE-5-PHOSPHATE                ' non-polymer        23  14 .
5SC      5SC '"3-((3-bromo-5-o-tolylpyrazolo[1,5-a' non-polymer        42  26 .
5SD      5SD '5ALPHA-ANDROSTAN-3,17-DIONE         ' non-polymer        49  21 .
5SE      5SE '.                                   ' DNA                36  22 .
5SP      5SP '5-O-phosphono-D-xylulose            ' non-polymer        23  14 .
5TN      5TN '"(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAM' non-polymer        61  30 .
5UA      5UA '5'-O-CARBOXY-2'-DEOXYADENOSINE      ' non-polymer        34  21 .
5UD      5UD '5-FLUOROURIDINE                     ' non-polymer        29  18 .
5WA      5WA '(1R)-3-(2,4-diamino-6-methylpyrimidi' non-polymer        45  25 .
5WB      5WB '5-[(3S)-3-methoxy-3-(3,4,5-trimethox' non-polymer        48  26 .
5X       5X  '5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BEN' non-polymer        45  27 .
5YL      5YL '5-(6-D-RIBITYLAMINO-2,4(1H,3H)PYRIMI' non-polymer        53  27 .
5Z5      5Z5 '5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3' non-polymer        39  23 .
5ZA      5ZA '"(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPR' non-polymer        44  26 .
600      600 '"6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL' non-polymer       100  58 .
605      605 '4'-[(1R)-1-amino-2-(2,5-difluorophen' non-polymer        44  26 .
606      606 '"(2S)-2-(3-{[AMINO(IMINO)METHYL]AMIN' non-polymer        50  27 .
607      607 '"2-(2'-AMINO-5-{5-[AMINO(IMINIO)METH' non-polymer        53  34 .
608      608 'N-(4-phenoxyphenyl)-2-[(pyridin-4-yl' non-polymer        50  30 .
609      609 '7-oxo-7H-benzimidazo[2,1-a]benz[de]i' non-polymer        33  24 .
612      612 '6-(cyclohexylsulfanyl)-1-(ethoxymeth' non-polymer        48  22 .
614      614 '7-[(4-methylpiperazin-1-yl)methyl]-4' non-polymer        63  32 .
615      615 '(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenyl' non-polymer        60  35 .
616      616 'N-[2-(1-FORMYL-2-METHYL-PROPYL)-1-(4' non-polymer        60  27 .
617      617 '2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BE' non-polymer        32  21 .
618      618 '(3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHY' non-polymer        67  35 .
619      619 'N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylam' non-polymer        67  40 .
61E      61E '4-(2-chlorophenyl)-8-[3-(dimethylami' non-polymer        58  34 .
61X      61X '4-{3-[3-(methylsulfonyl)phenoxy]phen' non-polymer        47  31 .
623      623 '"3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYR' non-polymer        47  29 .
624      624 '2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROP' non-polymer        66  38 .
625      625 '4-(4-{1-[(6-aminopyridin-2-yl)methyl' non-polymer        55  32 .
626      626 '4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-T' non-polymer        56  32 .
627      627 'N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLAC' non-polymer        61  35 .
628      628 '4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1' non-polymer        44  30 .
629      629 '"[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPI' non-polymer        53  29 .
62A      62A '2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMI' non-polymer        60  34 .
62P      62P '6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2' non-polymer        30  21 .
632      632 '2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-' non-polymer        64  36 .
635      635 '"1-methylethyl 8-fluoro-1,1-dimethyl' non-polymer        79  41 .
63C      63C '"(3R,4R)-1-METHYLCARBAMOYLMETHYL-PYR' non-polymer        62  37 .
63G      63G '(6S)-3-(2-deoxy-5-O-phosphono-beta-D' non-polymer        43  27 .
63H      63H '(6R)-3-(2-deoxy-5-O-phosphono-beta-D' non-polymer        43  27 .
641      641 '(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHE' non-polymer        43  23 .
642      642 '"(1S,3R,6S)-4-oxo-6-{4-[(2-phenylqui' non-polymer        58  35 .
643      643 '"6-(4-{[3-(3,5-dichloropyridin-4-yl)' non-polymer        62  38 .
645      645 '[1-TERT-BUTYL-3-(2,4-DICHLOROPHENYL)' non-polymer        50  31 .
646      646 '2,6-dichloro-4-(2-piperazin-1-ylpyri' non-polymer        56  32 .
64P      64P '5-aminothymidine 5'-(dihydrogen phos' non-polymer        38  22 .
64T      64T '5-HYDROXY-THYMIDINE-5'-MONOPHOSPHATE' DNA                37  22 .
64U      64U '3-cyclohexyl-D-alanyl-N-(3-chloroben' non-polymer        57  27 .
653      653 '"5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO' non-polymer        50  28 .
654      654 '4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-' non-polymer        32  18 .
655      655 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        45  25 .
656      656 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        44  24 .
65B      65B '4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENY' non-polymer        43  28 .
663      663 '3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPY' non-polymer        53  35 .
665      665 '(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-' non-polymer        43  22 .
666      666 '6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHE' non-polymer        54  30 .
667      667 '6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOH' non-polymer        36  21 .
669      669 '1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROB' non-polymer        49  30 .
672      672 '(S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-' non-polymer       103  49 .
675      675 '6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-' non-polymer        37  22 .
677      677 '(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-' non-polymer        43  27 .
678      678 '(3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL' non-polymer        37  24 .
679      679 '"2-CHLORO-5-[4-(3-CHLORO-PHENYL)-2,5' non-polymer        34  25 .
680      680 '6-METHYLAMINO-5-NITROISOCYTOSINE    ' non-polymer        20  13 .
681      681 '2-(5-AMINO-6-OXO-2-PHENYL-6H-PYRIMID' non-polymer        63  33 .
682      682 'N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO' non-polymer        53  26 .
685      685 '2-{2-[(3,5-dimethylphenyl)amino]pyri' non-polymer        51  28 .
687      687 '"N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLME' non-polymer        75  43 .
688      688 '"2-[AMINO(IMINO)METHYL]-2-HYDROXYPHE' non-polymer        48  32 .
689      689 '4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,' non-polymer        45  21 .
692      692 'N-methyl-1-(2-thiophen-2-ylphenyl)me' non-polymer        27  14 .
693      693 '"2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BE' non-polymer        51  34 .
694      694 '4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDR' non-polymer        28  21 .
696      696 '3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-' non-polymer        42  25 .
697      697 '5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZ' non-polymer        28  19 .
698      698 '"(2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-' non-polymer        60  32 .
699      699 '"(2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)' non-polymer        52  32 .
6A5      6A5 'Sa-(+)-(6-(aminomethyl)-5-(2,4-dichl' non-polymer        47  28 .
6AN      6AN '6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENE' non-polymer        34  21 .
6AP      6AP '9H-PURINE-2,6-DIAMINE               ' non-polymer        17  11 .
6AU      6AU '.                                   ' non-polymer        37  24 .
6AZ      6AZ '.                                   ' non-polymer        34  24 .
6BD      6BD '(2S)-3-[(9H-fluoren-9-ylideneamino)o' non-polymer        35  21 .
6C3      6C3 '6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4' non-polymer        37  24 .
6CA      6CA '.                                   ' non-polymer        68  39 .
6CL      6CL '6-CARBOXYLYSINE                     ' peptide            26  13 .
6CM      6CM 'N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-' non-polymer        75  28 .
6CN      6CN '.                                   ' non-polymer        33  23 .
6CP      6CP '.                                   ' non-polymer        45  25 .
6CS      6CS '(4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-T' non-polymer        20  11 .
6CW      6CW '6-CHLORO-L-TRYPTOPHAN               ' peptide            26  16 .
6DE      6DE '1-(2-CHLOROPHENYL)-3,5-DIMETHYL-1H-P' non-polymer        34  19 .
6EA      6EA '(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PY' non-polymer        51  30 .
6FA      6FA '6-HYDROXY-FLAVIN-ADENINE DINUCLEOTID' non-polymer        85  54 .
6GO      6GO '6-O-methylguanine                   ' non-polymer        19  12 .
6GP      6GP 'METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAM' non-polymer        33  18 .
6GU      6GU '6-chloroguanine                     ' non-polymer        15  11 .
6HA      6HA '1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(ADEN' DNA                37  23 .
6HC      6HC '"1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYT' DNA                35  21 .
6HE      6HE '6-METHY-6-DEPROPIONATEHEMIN         ' non-polymer        68  39 .
6HG      6HG '1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(GUAN' DNA                38  24 .
6HI      6HI '"(3R,5R)-7-{2-[(4-fluorobenzyl)carba' non-polymer        67  37 .
6HN      6HN '6-nitro-L-norleucine                ' peptide            23  12 .
6HT      6HT '1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(THYM' DNA                37  22 .
6IA      6IA 'N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOS' RNA                50  28 .
6IG      6IG '6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3' non-polymer        68  33 .
6IN      6IN '4-(1-BENZYL-3-CARBAMOYLMETHYL-2-METH' non-polymer        51  28 .
6IP      6IP '6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-' non-polymer        33  18 .
6JZ      6JZ '3,6,9,12,15-pentaoxaheptadecane     ' non-polymer        43  17 .
6MA      6MA 'N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHO' DNA                37  23 .
6MI      6MI '6-METHYL-8-(2-DEOXY-RIBOFURANOSYL)IS' non-polymer        40  26 .
6MN      6MN '2-amino-2-deoxy-6-O-phosphono-alpha-' non-polymer        28  16 .
6MO      6MO 'MOLYBDENUM(VI) ION                  ' non-polymer         1   1 .
6MP      6MP '6-METHYLPURINE                      ' non-polymer        16  10 .
6MR      6MR 'N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-D' non-polymer        49  31 .
6MZ      6MZ 'N6-METHYLADENOSINE-5'-MONOPHOSPHATE ' non-polymer        38  24 .
6NA      6NA 'HEXANOIC ACID                       ' non-polymer        19   8 .
6NH      6NH '2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-Y' non-polymer        38  24 .
6NI      6NI '6-NITROINDAZOLE                     ' non-polymer        17  12 .
6NP      6NP '6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAP' non-polymer        62  35 .
6OB      6OB '(8E,10S,12Z)-10-hydroxy-6-oxooctadec' non-polymer        51  22 .
6OC      6OC '(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-' non-polymer        51  22 .
6OG      6OG '.                                   ' DNA                38  24 .
6PC      6PC 'PYRIDINE-2-CARBOXYLIC ACID          ' non-polymer        13   9 .
6PE      6PE '1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOE' non-polymer        60  27 .
6PG      6PG '6-PHOSPHOGLUCONIC ACID              ' non-polymer        27  17 .
6PH      6PH '(1R)-2-(phosphonooxy)-1-[(tridecanoy' non-polymer        99  40 .
6PL      6PL '"(4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9' non-polymer       136  52 .
6PR      6PR '(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACET' non-polymer        26  16 .
6SA      6SA 'ACARBOSE DERIVED HEXASACCHARIDE     ' non-polymer       129  66 .
6SC      6SC '3-bromo-5-phenyl-N-(pyridin-4-ylmeth' non-polymer        38  24 .
6UL      6UL 'TETRACOSYL PALMITATE                ' non-polymer       122  42 .
6WO      6WO 'OXO-TUNGSTEN(VI)                    ' non-polymer         2   2 .
6X1      6X1 '2-{[(3,5-dichlorophenyl)carbamoyl]am' non-polymer        30  21 .
700      700 '[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYL' non-polymer        49  30 .
701      701 '(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-' non-polymer        53  29 .
703      703 '5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NIT' non-polymer        51  31 .
705      705 'N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydrox' non-polymer        70  41 .
706      706 'N-(3,3-dimethyl-2,3-dihydro-1H-indol' non-polymer        51  28 .
708      708 '"3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6' non-polymer        64  39 .
709      709 'N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-' non-polymer        41  24 .
70U      70U '5-(O-METHYLACETO)-2-THIO-2-DEOXY-URI' RNA                41  26 .
710      710 '(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-I' non-polymer        57  32 .
711      711 '7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-' non-polymer        65  34 .
712      712 '"3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]A' non-polymer        70  38 .
714      714 '1-(2,2-diphosphonoethyl)-3-(octyloxy' non-polymer        53  25 .
715      715 '(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,' non-polymer        43  28 .
716      716 '2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACE' non-polymer        61  34 .
717      717 'imidazo[2,1-b][1,3]thiazol-6-ylmetha' non-polymer        16  10 .
719      719 'N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydrox' non-polymer        68  41 .
720      720 '(2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZO' non-polymer        37  17 .
721      721 '3-butoxy-1-(2,2-diphosphonoethyl)pyr' non-polymer        41  21 .
722      722 '1-(2,2-diphosphonoethyl)-3-(heptylox' non-polymer        50  24 .
723      723 '(6-chloro-2-oxo-4-phenyl-1,2-dihydro' non-polymer        33  22 .
724      724 '(5R)-5-[(5-methoxy-3-oxo-1,3-dihydro' non-polymer        35  21 .
72X      72X '(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hy' non-polymer        81  35 .
730      730 '(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERI' non-polymer        74  39 .
732      732 '5-(4-chlorophenyl)-N-[(1S)-1-cyclohe' non-polymer        49  26 .
735      735 '"2-METHYL-2-(4-{[({4-METHYL-2-[4-(TR' non-polymer        53  33 .
736      736 '(11S)-8-CHLORO-11-[1-(METHYLSULFONYL' non-polymer        61  32 .
737      737 'N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONY' non-polymer        78  45 .
738      738 'N-(3-cyano-4,5,6,7-tetrahydro-1-benz' non-polymer        34  21 .
739      739 '"2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]P' non-polymer        72  34 .
73Q      73Q '6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-' non-polymer        28  18 .
73V      73V '"BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)' non-polymer        69  34 .
740      740 'N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL' non-polymer        59  32 .
741      741 '4-[[3-chloro-4-(1-methylimidazol-2-y' non-polymer        67  38 .
742      742 '(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMET' non-polymer        63  25 .
744      744 '(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-C' non-polymer        46  23 .
745      745 'TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTH' non-polymer        40  22 .
746      746 '4-tert-butyl-N-[2-methyl-3-(4-methyl' non-polymer        80  43 .
749      749 '"[(6E,11E)-2,6,12,16-TETRAMETHYLHEPT' non-polymer        63  29 .
74A      74A '"N'-{(1S,2S)-1-(3,5-difluorobenzyl)-' non-polymer        87  45 .
74M      74M '"METHYL N-({(2S,3S)-3-[(PROPYLAMINO)' non-polymer        59  28 .
750      750 '"5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURA' non-polymer        99  52 .
754      754 '"(2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetr' non-polymer        64  29 .
757      757 '.                                   ' non-polymer       105  62 .
75V      75V 'N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN' non-polymer        47  24 .
760      760 '9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETR' non-polymer        42  22 .
761      761 '3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBO' non-polymer        26  19 .
762      762 '"3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO' non-polymer        41  26 .
768      768 '(2R)-1-(2,4-dichlorophenoxy)-3-[(2E)' non-polymer        59  31 .
76A      76A '"3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HY' non-polymer        62  35 .
76V      76V 'N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN' non-polymer        56  27 .
770      770 'N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,' non-polymer        40  28 .
771      771 '4-(4-BENZYLOXY-2-METHANESULFONYLAMIN' non-polymer        58  32 .
772      772 '2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOS' non-polymer        22  17 .
773      773 'CETHROMYCIN                         ' non-polymer       114  55 .
778      778 '4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPE' non-polymer        49  29 .
77A      77A '1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2' non-polymer        48  26 .
77B      77B '"BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)' non-polymer        73  38 .
77Z      77Z '2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2' non-polymer        60  34 .
780      780 '3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        41  25 .
783      783 '3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-' non-polymer        46  27 .
784      784 '"[AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIO' non-polymer        61  29 .
785      785 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        35  24 .
787      787 '(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC' non-polymer        25  15 .
789      789 '3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL' non-polymer        28  19 .
78A      78A 'N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL' non-polymer        59  31 .
78P      78P '(2R)-2-(7-carbamoyl-1H-benzimidazol-' non-polymer        34  18 .
790      790 '1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHY' non-polymer        25  15 .
791      791 '2-PHENYLMALONIC ACID                ' non-polymer        19  13 .
792      792 'N-{[4-(but-2-yn-1-yloxy)phenyl]sulfo' non-polymer        51  30 .
793      793 '3-{[(1R)-1-phenylethyl]amino}-4-(pyr' non-polymer        37  22 .
794      794 '2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMIN' non-polymer        36  25 .
796      796 'N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZY' non-polymer        47  28 .
797      797 '3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[' non-polymer        32  21 .
798      798 '{4-[(2R)-pyrrolidin-2-ylmethoxy]phen' non-polymer        47  26 .
79Z      79Z '5-cyclopropyl-2-(4-fluorophenyl)-6-[' non-polymer        54  31 .
7A8      7A8 '(1R)-DIMETHYL-(4-METHYL-CYCLOHEX-3-E' non-polymer        27  10 .
7AC      7AC '7-(aminomethyl)-6-(2-chlorophenyl)-1' non-polymer        34  21 .
7AD      7AD '9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]A' non-polymer        46  24 .
7AP      7AP '(1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)' non-polymer        29  17 .
7BD      7BD '3-[(9H-fluoren-9-ylideneamino)oxy]pr' non-polymer        32  20 .
7C1      7C1 '4-(4-methyl-1,3-dioxo-1,3-dihydro-2H' non-polymer        34  21 .
7CA      7CA '"5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8' non-polymer        69  37 .
7CK      7CK '7-carboxy-5-hydroxy-12,13-dihydro-6H' non-polymer        39  27 .
7CL      7CL '1-chloropentane                     ' non-polymer        17   6 .
7CP      7CP '"(4R)-7,8-dichloro-1',9-dimethyl-1-o' non-polymer        43  25 .
7CS      7CS '"(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.' non-polymer        40  21 .
7DA      7DA '7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHO' DNA                35  22 .
7DE      7DE '3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PY' non-polymer        36  21 .
7DG      7DG '7-DEAZAGUANINE                      ' non-polymer        17  11 .
7GP      7GP 'ETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMA' non-polymer        36  19 .
7GU      7GU '7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHO' DNA                36  23 .
7HA      7HA 'N-(3-{[2-(4-chlorophenyl)-5-methyl-1' non-polymer        51  31 .
7HE      7HE '7-METHYL-7-DEPROPIONATEHEMIN        ' non-polymer        68  39 .
7HI      7HI '"(3R,5R)-7-[3-(biphenyl-4-ylcarbamoy' non-polymer        75  38 .
7HP      7HP '7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE ' non-polymer        14  10 .
7I2      7I2 '7-NITROINDAZOLE-2-CARBOXAMIDINE     ' non-polymer        22  15 .
7IG      7IG '5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHEN' non-polymer        45  26 .
7IN      7IN 'N-(BENZYLSULFONYL)SERYL-N~1~-{4-[(Z)' non-polymer        60  33 .
7IP      7IP '6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]' non-polymer        43  23 .
7JA      7JA 'N-({(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-' non-polymer        51  23 .
7JZ      7JZ '2-deoxy-2,2-difluoro-beta-D-lyxo-hex' pyranose           23  13 .
7MG      7MG '7N-METHYL-8-HYDROGUANOSINE-5'-MONOPH' RNA                41  25 .
7MP      7MP '7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(' non-polymer        51  33 .
7MR      7MR '(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDRO' non-polymer        42  27 .
7NA      7NA '2-hydroxy-7-methoxy-5-methyl naphtho' non-polymer        28  17 .
7NH      7NH '[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYR' non-polymer        45  27 .
7NI      7NI '7-NITROINDAZOLE                     ' non-polymer        17  12 .
7PA      7PA 'PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID)' non-polymer        21  11 .
7PC      7PC '2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-' non-polymer        38  23 .
7PE      7PE '2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY' non-polymer        51  21 .
7PG      7PG '2,5,8,11,14,17,20,23-OCTAOXAPENTACOS' non-polymer        62  26 .
7PH      7PH '(1R)-2-(dodecanoyloxy)-1-[(phosphono' non-polymer        93  38 .
7PY      7PY '7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPH' non-polymer        47  28 .
7RA      7RA '7-ALPHA-D-RIBOFURANOSYL-2-AMINOPURIN' non-polymer        35  23 .
7RP      7RP '7-ALPHA-D-RIBOFURANOSYL-PURINE-5'-PH' non-polymer        33  22 .
7T9      7T9 'N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3' non-polymer        42  23 .
7X1      7X1 'N-(5-chloro-1,3-benzodioxol-4-yl)-6-' non-polymer        60  33 .
7X2      7X2 '.                                   ' non-polymer        49  30 .
7X3      7X3 '"N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3' non-polymer        49  29 .
7X4      7X4 '3-({4-[(5-chloro-1,3-benzodioxol-4-y' non-polymer        42  28 .
7X5      7X5 '"N'-(5-chloro-1,3-benzodioxol-4-yl)-' non-polymer        43  28 .
7X6      7X6 'N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-' non-polymer        45  29 .
7X7      7X7 '"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-' non-polymer        50  30 .
7X8      7X8 '3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-Y' non-polymer        41  27 .
7XY      7XY '"{(3-CHLOROBENZYL)[(5-{[(3,3-DIPHENY' non-polymer        65  39 .
7Z5      7Z5 '5-[methyl(pyridin-3-ylmethyl)amino]-' non-polymer        41  23 .
801      801 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        30  19 .
802      802 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        31  20 .
803      803 'LOVASTATIN                          ' non-polymer        65  29 .
806      806 '7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-' non-polymer        68  37 .
809      809 '4-(2-chlorophenyl)-8-(2-hydroxyethyl' non-polymer        40  25 .
80A      80A '(R)-pyridin-4-yl[4-(2-pyrrolidin-1-y' non-polymer        44  22 .
80G      80G '1-(4-thiophen-2-ylphenyl)methanamine' non-polymer        24  13 .
812      812 'N-benzyl-4-[(2R)-pyrrolidin-2-ylmeth' non-polymer        43  21 .
815      815 '"THIENO[3,2-B]PYRIDINE-2-SULFONIC AC' non-polymer        50  31 .
817      817 '1-{[N-(1-IMINO-GUANIDINO-METHYL)]SUL' non-polymer        29  18 .
818      818 '18-HYDROXYASCOMYCIN                 ' non-polymer       126  57 .
819      819 '"ethyl (4-{3-[2,4-dihydroxy-5-(1-met' non-polymer        54  30 .
81A      81A '"2-METHANESULFONYL-BENZENESULFONIC A' non-polymer        57  32 .
821      821 '.                                   ' non-polymer        74  42 .
822      822 '"N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLME' non-polymer        77  43 .
824      824 '9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARB' non-polymer        37  25 .
825      825 '"[{2-bromo-4-[(2R)-3-oxo-2,3-dipheny' non-polymer        48  30 .
826      826 '1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL' non-polymer        52  30 .
829      829 '5'-deoxy-5'-[(pyridin-4-ylcarbonyl)a' non-polymer        42  25 .
82A      82A '(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2' non-polymer        48  31 .
82X      82X '"3-(6-{[3-(2,6-dichlorophenyl)-5-(1-' non-polymer        56  36 .
830      830 'dipotassium (2-oxo-2-{[3-(3-phenoxyp' non-polymer        44  26 .
831      831 'N-[3-(3-{4-[(dimethylamino)methyl]ph' non-polymer        62  38 .
839      839 '"3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3' non-polymer        45  30 .
83H      83H '"8-ethyl-3,10,10-trimethyl-4,5,6,8,1' non-polymer        50  26 .
840      840 'Platensimycin A1                    ' non-polymer        57  33 .
843      843 '"N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLME' non-polymer        73  41 .
846      846 '[4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCL' non-polymer        79  43 .
847      847 '2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BEN' non-polymer        41  28 .
848      848 '2-(pyridin-3-ylmethoxy)aniline      ' non-polymer        27  15 .
851      851 'N-{(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2' non-polymer        72  36 .
852      852 '"2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4' non-polymer        78  46 .
853      853 '"5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YL' non-polymer        76  43 .
855      855 '2-(6-methylpyridin-2-yl)-N-pyridin-4' non-polymer        39  24 .
857      857 '4-({2-[(4-chloro-3-{[(2S)-1-methylpy' non-polymer        62  36 .
858      858 'C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN ' non-polymer       145  67 .
859      859 '2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMI' non-polymer        39  24 .
85A      85A '18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMET' non-polymer        56  34 .
864      864 '"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(' non-polymer        59  31 .
866      866 '5-amino-N-[(2S)-2-({[(2,6-dichloroph' non-polymer        58  37 .
869      869 '"(1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-' non-polymer        57  31 .
86A      86A '"(2S)-(3-{[AMINO(IMINO)METHYL]AMINO}' non-polymer        61  33 .
870      870 'N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-B' non-polymer        45  30 .
872      872 '(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLU' non-polymer        47  28 .
876      876 '"N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLME' non-polymer        79  44 .
877      877 'N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2' non-polymer        46  27 .
878      878 '5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID' non-polymer        20  16 .
879      879 '6-({2-(2-chlorophenyl)-5-[4-(pyrimid' non-polymer        53  33 .
87Y      87Y '7,8-DIHYDRO-6-HYDROXYMETHYL-7-METHYL' non-polymer        42  23 .
880      880 'CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL' non-polymer        69  35 .
882      882 '"(3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-' non-polymer        75  42 .
885      885 '1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)' non-polymer        34  20 .
886      886 'N-({4'-[(4-isobutyrylphenoxy)methyl]' non-polymer        66  36 .
887      887 'N-cyclopropyl-6-[(6,7-dimethoxyquino' non-polymer        53  31 .
888      888 '3-(1,1-dioxido-4H-1,2,4-benzothiadia' non-polymer        50  29 .
889      889 'N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDI' non-polymer        57  26 .
88X      88X '5-ethyl-2-(phenylcarbonyl)imidazo[1,' non-polymer        33  20 .
88Z      88Z '"N-(3-fluoro-4-{[6-methoxy-7-(3-morp' non-polymer        80  46 .
891      891 '6-(2,4-difluorophenoxy)-8-methyl-2-{' non-polymer        47  29 .
892      892 '"3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2' non-polymer        54  36 .
893      893 '5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ET' non-polymer        44  25 .
894      894 '2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1' non-polymer        52  28 .
895      895 '2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1' non-polymer        50  28 .
896      896 'N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S' non-polymer        55  26 .
897      897 'N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-' non-polymer        71  33 .
89I      89I '5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MO' non-polymer        54  30 .
8AC      8AC '8-aminooctanoic acid                ' non-polymer        27  11 .
8AD      8AD '9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)AC' non-polymer        49  25 .
8AG      8AG '.                                   ' non-polymer        66  41 .
8AN      8AN '.                                   ' non-polymer        36  23 .
8AP      8AP 'N~3~-BENZYLPYRIDINE-2,3-DIAMINE     ' non-polymer        28  15 .
8BD      8BD '3-({[(1Z)-(2-methoxyphenyl)methylide' non-polymer        28  16 .
8BR      8BR '8-BROMO-ADENOSINE-5'-MONOPHOSPHATE  ' non-polymer        35  24 .
8C5      8C5 '8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(' non-polymer        70  36 .
8CA      8CA '9-benzyl-2,3,4,9-tetrahydro-1H-carba' non-polymer        41  23 .
8CL      8CL 'chlorobenzene                       ' non-polymer        12   7 .
8CM      8CM '8-HYDROXYCOUMARIN                   ' non-polymer        18  12 .
8CS      8CS '.                                   ' non-polymer        34  23 .
8DA      8DA '8-OXODEOXYADENOSINE                 ' non-polymer        34  19 .
8DG      8DG '8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPH' non-polymer        44  32 .
8DR      8DR '"(S)-2-(3-(benzo[c][1,2,5]thiadiazol' non-polymer        50  32 .
8DX      8DX '"(2R,3aR,6S,7aR)-2-[(2S)-2-amino-3-h' non-polymer        34  19 .
8EP      8EP '"(2R,3aR,6R,7S,7aR)-2-[(2S)-2-amino-' non-polymer        35  20 .
8FG      8FG 'N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)' DNA                63  40 .
8GP      8GP '.                                   ' non-polymer        38  20 .
8GT      8GT '8-OXO-GUANOSINE-5'-TRIPHOSPHATE     ' non-polymer        45  33 .
8H1      8H1 '2-(5-{[(2S)-2-amino-3-phenylpropyl]o' non-polymer        63  36 .
8HG      8HG '2'-DEOXY-8-OXOGUANOSINE             ' non-polymer        33  20 .
8HI      8HI '"(3R,5R)-7-{3-(4-fluorophenyl)-1-(1-' non-polymer        80  45 .
8I1      8I1 '2-(5-{[(2R)-2-amino-3-phenylpropyl]o' non-polymer        63  36 .
8ID      8ID 'NICOTINAMIDE-8-IODO-ADENINE-DINUCLEO' non-polymer        70  45 .
8IG      8IG '8-IODO-GUANINE                      ' non-polymer        16  12 .
8IN      8IN '"[3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME' non-polymer        54  29 .
8IP      8IP 'N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-' non-polymer        37  21 .
8JZ      8JZ 'butyl acetate                       ' non-polymer        20   8 .
8MG      8MG '8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPH' DNA                38  24 .
8MO      8MO 'METHOXSALEN                         ' non-polymer        24  16 .
8MR      8MR '(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENY' non-polymer        30  19 .
8NC      8NC '"(3R,4R)-1-METHANESULFONYL-PYRROLIDI' non-polymer        62  38 .
8NH      8NH '2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-D' non-polymer        33  21 .
8NX      8NX '8-nitro-3,7-dihydro-1H-purine-2,6-di' non-polymer        17  14 .
8OG      8OG '8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOS' DNA                36  24 .
8PA      8PA '3-[(4-amino-2-methylpyrimidin-5-yl)m' non-polymer        59  36 .
8PC      8PC '2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2' non-polymer        36  23 .
8PE      8PE '"(2R)-3-{[(S)-(2-aminoethoxy)(hydrox' non-polymer       120  47 .
8PG      8PG '(8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z' non-polymer        55  24 .
8PP      8PP '2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,1' non-polymer       117  47 .
8PS      8PS '5-OCTYL-2-PHENOXYPHENOL             ' non-polymer        48  22 .
8ST      8ST 'N-(4-chlorophenyl)-2-[(pyridin-4-ylm' non-polymer        40  24 .
8TX      8TX '8-thioxo-3,7,8,9-tetrahydro-1H-purin' non-polymer        16  12 .
900      900 'N-(4-chlorophenyl)-6-[(6,7-dimethoxy' non-polymer        56  35 .
901      901 '"2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOX' non-polymer        84  47 .
902      902 '"{[5-(3-{[1-(BENZYLSULFONYL)PIPERIDI' non-polymer        63  39 .
903      903 '"2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4' non-polymer        82  48 .
905      905 '(R)-4-[2-(3-AMINO-BENZENESULFONYLAMI' non-polymer        66  38 .
907      907 '2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-' non-polymer        35  21 .
910      910 '"5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3' non-polymer        42  28 .
914      914 '"[(2R,5R)-5-(6-aminopurin-9-yl)-4-fl' non-polymer        40  30 .
915      915 '(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SU' non-polymer        42  23 .
91U      91U 'N-acetyl-3-cyclohexyl-D-alanyl-N-(3-' non-polymer        62  30 .
922      922 '"(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHY' non-polymer        59  33 .
925      925 '3-[7-[(3-hydroxyphenyl)amino]pyrazol' non-polymer        69  37 .
928      928 '5-amino-1-(4-chlorophenyl)-1H-pyrazo' non-polymer        22  15 .
929      929 '.                                   ' non-polymer       113  60 .
92G      92G '4-(2-amino-1,3-thiazol-4-yl)phenol  ' non-polymer        21  13 .
92M      92M '9-cyclopentyl-2-(4-(4-hydroxypiperid' non-polymer        68  34 .
935      935 '(E)-1-(6-{4-[3-(4-methylpiperazin-1-' non-polymer        54  29 .
936      936 '5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHE' non-polymer        42  26 .
93A      93A '"[3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2' non-polymer        36  25 .
93N      93N '6-{4-[3-(4-methylpiperazin-1-yl)prop' non-polymer        52  29 .
941      941 '"2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-' non-polymer        77  43 .
94M      94M '6-chloro-9-[(4-methoxy-3,5-dimethylp' non-polymer        37  22 .
950      950 '2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-' non-polymer        44  25 .
951      951 '2-[(2E)-2-{[5-(2-chlorophenyl)furan-' non-polymer        36  24 .
956      956 '1-methyl-2-oxo-4-[4-(thiophen-2-ylca' non-polymer        45  27 .
957      957 'N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-' non-polymer        63  31 .
959      959 'benzyl (2-oxopropyl)carbamate       ' non-polymer        28  15 .
95A      95A 'TMC-95A                             ' non-polymer        91  49 .
961      961 '"3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TE' non-polymer        54  29 .
964      964 '"3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ET' non-polymer        57  31 .
965      965 '"[3-(3-{[2-chloro-3-(trifluoromethyl' non-polymer        71  41 .
968      968 '2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALY' non-polymer        37  26 .
972      972 '2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-' non-polymer        44  25 .
973      973 '(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-' non-polymer        38  25 .
974      974 '"1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDR' non-polymer        67  41 .
976      976 '(2S)-2-(6-chloro-2-methyl-4-phenylqu' non-polymer        44  25 .
977      977 '2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-' non-polymer        23  15 .
979      979 '5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHY' non-polymer        55  30 .
97B      97B '9-chloro-7-(2,6-difluorophenyl)-N-{4' non-polymer        65  40 .
982      982 '3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRID' non-polymer        22  17 .
983      983 '"(5S,9R,10R,12S)-12-[3-(AMINOMETHYL)' non-polymer        83  44 .
984      984 'CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENY' non-polymer        63  33 .
985      985 '(2E)-3-{3-[6-(4-methyl-1,4-diazepan-' non-polymer        46  25 .
988      988 '8-(3-nitrophenyl)-6-(pyridin-4-ylmet' non-polymer        41  26 .
989      989 '"2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAM' non-polymer        68  39 .
991      991 '2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-' non-polymer        46  26 .
993      993 '"3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-' non-polymer        55  36 .
994      994 '4-(2-anilinopyridin-3-yl)-N-(3,4,5-t' non-polymer        54  32 .
995      995 '"4-METHYL-PENTANOIC ACID {1-[4-GUANI' non-polymer        66  30 .
997      997 '"1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PR' non-polymer        81  39 .
998      998 'N-METHYLALANYL-3-METHYLVALYL-N-(1,2,' non-polymer        70  32 .
9AC      9AC '9-ACRIDINECARBONYL                  ' non-polymer        25  16 .
9AD      9AD '9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)AC' non-polymer        43  23 .
9AM      9AM '9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL' non-polymer        37  20 .
9AP      9AP '9-AMINOPHENANTHRENE                 ' non-polymer        26  15 .
9AR      9AR '9-HYDROXY ARISTOLOCHIC ACID         ' non-polymer        36  26 .
9BD      9BD '2-(1H-imidazol-1-yl)-9-methoxy-8-(2-' non-polymer        46  27 .
9CA      9CA '9H-CARBAZOLE                        ' non-polymer        22  13 .
9CL      9CL '(chloromethyl)benzene               ' non-polymer        15   8 .
9CS      9CS '"(1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-' non-polymer        70  33 .
9D9      9D9 '(1,1-difluoropentyl)phosphonic acid ' non-polymer        22  11 .
9DA      9DA '9-DEAZAADENINE                      ' non-polymer        16  10 .
9DG      9DG '9-DEAZAGUANINE                      ' non-polymer        17  11 .
9DI      9DI '9-DEAZAINOSINE                      ' non-polymer        32  19 .
9DN      9DN 'DANSYL-L-ASPARAGINE                 ' non-polymer        43  25 .
9DS      9DS 'DANSYL-L-SARCOSINE                  ' non-polymer        39  22 .
9DX      9DX '"(2R,3aR,7R,7aR)-2-[(2S)-2-amino-3-h' non-polymer        34  19 .
9GP      9GP 'N-(hydroxyacetyl)-beta-D-glucopyrano' non-polymer        31  16 .
9HI      9HI '"(3R,5R)-7-{3-[(4-carbamoylphenyl)su' non-polymer        80  46 .
9HO      9HO '(9S,10E,12Z)-9-hydroxyoctadeca-10,12' non-polymer        52  21 .
9HP      9HP '9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLI' non-polymer        33  21 .
9HX      9HX '9-DEAZAHYPOXANTHINE                 ' non-polymer        15  10 .
9IN      9IN 'N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((' non-polymer        94  45 .
9IP      9IP 'N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZY' non-polymer        41  23 .
9JZ      9JZ '(3S)-1-{(2S)-2-cyclohexyl-2-[(N-meth' non-polymer        75  37 .
9MG      9MG '9-METHYLGUANINE                     ' non-polymer        19  12 .
9MR      9MR '(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHY' non-polymer        44  21 .
9NE      9NE 'DANSYL-L-GLUTAMATE                  ' non-polymer        44  26 .
9NF      9NF 'DANSYL-L-PHENYLALANINE              ' non-polymer        49  28 .
9NH      9NH 'N-[5-({[2-fluoro-3-(trifluoromethyl)' non-polymer        74  45 .
9NR      9NR 'DANSYL-L-ARGININE                   ' non-polymer        52  28 .
9NV      9NV 'DANSYL-L-NORVALINE                  ' non-polymer        45  24 .
9OD      9OD '(2Z)-9-oxodec-2-enoic acid          ' non-polymer        28  13 .
9OH      9OH '(TRANS-12,13-EPOXY)-9-HYDROXY-10(E)-' non-polymer        53  22 .
9PE      9PE '"(1R)-2-{[(S)-(2-aminoethoxy)(hydrox' non-polymer        99  40 .
9PP      9PP '2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHO' non-polymer        33  20 .
9RA      9RA '"4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8' non-polymer        53  26 .
9TA      9TA '1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-ET' non-polymer        24  16 .
A00      A00 'N-[(5S)-5-{[(4-aminophenyl)sulfonyl]' non-polymer        88  44 .
A02      A02 '.                                   ' non-polymer       137  67 .
A03      A03 '(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-' non-polymer       126  63 .
A04      A04 '5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUR' non-polymer        25  19 .
A05      A05 '5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ' non-polymer        23  18 .
A07      A07 'N-(6-chloro-5-phenyl-1H-indazol-3-yl' non-polymer        38  22 .
A0A      A0A '(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTA' non-polymer        17  11 .
A0H      A0H 'N-(3-{3-chloro-8-[(4-morpholin-4-ylp' non-polymer        60  35 .
A11      A11 'ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO' non-polymer        37  19 .
A12      A12 'PHOSPHOMETHYLPHOSPHONIC ACID ADENOSY' non-polymer        44  27 .
A13      A13 '4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDI' non-polymer        18  12 .
A14      A14 '"(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CA' non-polymer        44  24 .
A15      A15 '3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE' non-polymer        44  30 .
A16      A16 '"4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5' non-polymer        68  33 .
A17      A17 'N-cyclopropyl-4-methyl-3-[1-(2-methy' non-polymer        53  30 .
A18      A18 '5-(2-CHLOROBENZYL)-2-FUROIC ACID    ' non-polymer        24  16 .
A19      A19 '5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL' non-polymer        29  21 .
A1A      A1A '6-AMINO HEXANOIC ACID               ' non-polymer        83  43 .
A1E      A1E '(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRID' non-polymer        81  37 .
A1P      A1P '"9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSP' non-polymer        35  21 .
A1R      A1R '"5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DI' non-polymer        57  35 .
A1T      A1T '"5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARB' non-polymer        97  48 .
A21      A21 '(5S)-2-{[(1S)-1-(2-fluorophenyl)ethy' non-polymer        33  21 .
A22      A22 '"[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-' non-polymer        72  49 .
A23      A23 '.                                   ' RNA                36  26 .
A24      A24 '(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAM' non-polymer        59  32 .
A25      A25 '18-CHLORO-11,12,13,14-TETRAHYDRO-1H,' non-polymer        41  24 .
A26      A26 '2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETH' non-polymer        30  19 .
A27      A27 'N-[6-(4-hydroxyphenyl)-5-phenyl-1H-i' non-polymer        49  28 .
A28      A28 'N-(6,7-difluoro-5-phenyl-1H-indazol-' non-polymer        38  23 .
A29      A29 '2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC A' non-polymer        17  12 .
A2C      A2C '"3,3'-[ethane-1,2-diylbis(nitrilomet' non-polymer        46  26 .
A2D      A2D '"BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PU' non-polymer        69  45 .
A2E      A2E '(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRID' non-polymer        81  37 .
A2F      A2F '2-fluoroadenine                     ' non-polymer        15  11 .
A2G      A2G 'N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE  ' non-polymer        30  15 .
A2L      A2L '.                                   ' RNA                45  27 .
A2M      A2M '2'-O-METHYL-ADENOSINE-5'-MONOPHOSPHA' RNA                38  24 .
A2P      A2P 'ADENOSINE-2'-5'-DIPHOSPHATE         ' non-polymer        38  27 .
A2R      A2R '"[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-' non-polymer        60  40 .
A2T      A2T 'N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-' non-polymer        88  40 .
A31      A31 '"N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohex' non-polymer       135  59 .
A32      A32 '(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLA' non-polymer        62  33 .
A33      A33 '2-(carboxymethyl)-D-aspartic acid   ' non-polymer        19  13 .
A37      A37 '2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXA' non-polymer        29  22 .
A38      A38 '.                                   ' non-polymer        35  23 .
A3A      A3A '2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-5'-' non-polymer        34  22 .
A3B      A3B 'D-VINYLGLYCINE                      ' non-polymer        14   7 .
A3D      A3D '3-ACETYLPYRIDINE ADENINE DINUCLEOTID' non-polymer        71  44 .
A3F      A3F '3-[6-amino-5-(3,4,5-trimethoxyphenyl' non-polymer        46  26 .
A3M      A3M '2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-B' non-polymer        30  12 .
A3P      A3P 'ADENOSINE-3'-5'-DIPHOSPHATE         ' non-polymer        38  27 .
A3S      A3S 'SERINE-3'-AMINOADENOSINE            ' non-polymer        44  25 .
A40      A40 '.                                   ' non-polymer        39  24 .
A41      A41 '5-METHYL-2-[(PHENYLSULFONYL)AMINO]BE' non-polymer        32  20 .
A42      A42 '1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(' non-polymer        35  23 .
A43      A43 '.                                   ' non-polymer        35  22 .
A44      A44 '.                                   ' non-polymer        45  27 .
A45      A45 '3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO' non-polymer        27  20 .
A46      A46 '5-chloro-N-{4-[(1R)-1,2-dihydroxyeth' non-polymer        38  23 .
A47      A47 '.                                   ' non-polymer        38  24 .
A48      A48 '4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROE' non-polymer        61  32 .
A49      A49 'N-{1-[(1-carbamoylcyclopropyl)methyl' non-polymer        62  32 .
A4C      A4C '"9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-' non-polymer       102  52 .
A4D      A4D '5'-thioadenosine                    ' non-polymer        32  19 .
A4L      A4L '9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-8-AM' non-polymer       138  65 .
A4P      A4P '6-(ADENOSINE TETRAPHOSPHATE-METHYL)-' non-polymer        68  48 .
A51      A51 '(3E)-3-[(phenylamino)methylidene]dih' non-polymer        25  14 .
A53      A53 '5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-' non-polymer        61  36 .
A55      A55 'N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYD' non-polymer        37  23 .
A56      A56 '6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZIN' non-polymer        29  19 .
A58      A58 '"4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]ME' non-polymer        56  30 .
A5A      A5A ''5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOS' non-polymer        47  28 .
A5D      A5D '(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-' non-polymer        46  27 .
A5L      A5L '9-(2-deoxy-2-fluoro-5-O-phosphono-be' DNA                34  23 .
A5M      A5M '2'-AMINE-CYTIDINE-5'-MONOPHOSPHATE  ' RNA                34  21 .
A5O      A5O '.                                   ' RNA                35  23 .
A5P      A5P 'ARABINOSE-5-PHOSPHATE               ' non-polymer        25  14 .
A5T      A5T '(1R,5S)-7-{4-[3-(2-chloro-3,6-difluo' non-polymer        75  43 .
A66      A66 '2-AMINOETHYLLYSINE-CARBONYLMETHYLENE' non-polymer        49  26 .
A67      A67 'N~2~-{8-oxo-8-[4-(9H-purin-6-yl)pipe' non-polymer       189  92 .
A6B      A6B '(3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-' non-polymer        79  35 .
A6D      A6D '(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-' non-polymer        48  30 .
A6P      A6P '6-O-phosphono-alpha-D-allopyranose  ' non-polymer        27  16 .
A6T      A6T '(1S,5R)-7-{4-[3-(2-chloro-3,6-difluo' non-polymer        75  43 .
A70      A70 'N-ethyl-N-[(4-methylpiperazin-1-yl)c' non-polymer       123  53 .
A71      A71 '(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATI' non-polymer        37  12 .
A72      A72 'TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLA' non-polymer        53  17 .
A74      A74 '2,5-DICHLORO-N-[5-METHOXY-7-(6-METHO' non-polymer        46  31 .
A75      A75 '2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TE' non-polymer        39  23 .
A76      A76 'N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-' non-polymer       116  58 .
A77      A77 'N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-' non-polymer       116  58 .
A78      A78 'N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-' non-polymer       117  57 .
A79      A79 'N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-' non-polymer       116  58 .
A7D      A7D '5'-S-[(3R)-3,4-dihydroxybutyl]-5'-th' non-polymer        46  25 .
A7T      A7T '(1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-d' non-polymer        82  43 .
A80      A80 'N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-N' non-polymer        48  26 .
A83      A83 '"TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZY' non-polymer        99  51 .
A84      A84 '"2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-' non-polymer        54  30 .
A85      A85 'N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDRO' non-polymer       116  60 .
A88      A88 '(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXY' non-polymer        80  43 .
A8B      A8B 'N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYD' non-polymer        70  34 .
A8D      A8D '5-methoxy-N-(methylsulfonyl)-1H-indo' non-polymer        29  18 .
A8M      A8M '5'-[(3-aminopropyl)(methyl)amino]-5'' non-polymer        50  25 .
A8N      A8N 'N-9-(1',2',3',4'-TETRAHYDROACRIDINYL' non-polymer        57  24 .
A8S      A8S '"(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-tri' non-polymer        38  19 .
A91      A91 '3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-' non-polymer        39  24 .
A92      A92 '2-{2-fluoro-4-[(2S)-piperidin-2-yl]p' non-polymer        44  25 .
A93      A93 '4-fluorophenyl 3-[(E)-2-(4-hydroxy-3' non-polymer        46  27 .
A94      A94 'N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)M' non-polymer        46  27 .
A96      A96 '6-chloro-N-pyrimidin-5-yl-3-{[3-(tri' non-polymer        41  30 .
A9A      A9A '1-(SULFOGLYCOLOYL-LEUCYL-THREONYL-VA' non-polymer       144  72 .
A9D      A9D '(2S)-2-amino-2-carboxyethyl 1-carbox' peptide            44  24 .
AA1      AA1 '[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO' non-polymer        28  15 .
AA2      AA2 '4-ARYL-2-PHENYLAMINO PYRIMIDINE     ' non-polymer        62  32 .
AA4      AA4 '2-AMINO-5-HYDROXYPENTANOIC ACID     ' peptide            19   9 .
AA5      AA5 'N-[(3-HYDROXY-2-METHYL-5-{[(TRIHYDRO' non-polymer        40  24 .
AA6      AA6 '"3-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHY' M-peptide          33  18 .
AA7      AA7 'N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-' non-polymer        77  37 .
AA9      AA9 'N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMI' non-polymer        93  46 .
AAA      AAA '(2-ACETYL-5-METHYLANILINO)(2,6-DIBRO' non-polymer        39  23 .
AAB      AAB '2-DEOXY-5-PHOSPHORIBOSE GROUP       ' furanose           22  13 .
AAC      AAC 'ACETYLAMINO-ACETIC ACID             ' non-polymer        14   8 .
AAD      AAD '(2-AMINOOXY-ETHYL)-[5-(6-AMINO-PURIN' non-polymer        46  24 .
AAE      AAE 'ACETOACETIC ACID                    ' non-polymer        12   7 .
AAF      AAF '"METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(A' non-polymer        58  29 .
AAG      AAG 'N-ALPHA-L-ACETYL-ARGININE           ' non-polymer        30  15 .
AAH      AAH '.                                   ' non-polymer        41  23 .
AAI      AAI 'trans-4-(7-carbamoyl-1H-benzimidazol' non-polymer        43  21 .
AAL      AAL '3,6-ANHYDRO-L-GALACTOSE             ' pyranose           21  11 .
AAM      AAM 'ALPHA-ADENOSINE MONOPHOSPHATE       ' non-polymer        35  23 .
AAN      AAN '2-(4-NITROPHENYL)ACETIC ACID        ' non-polymer        19  13 .
AAO      AAO 'ACARBOSE DERIVED HEXASACCHARIDE     ' non-polymer       129  66 .
AAP      AAP 'ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-' non-polymer        39  23 .
AAQ      AAQ '6-amino-4-[2-(benzylamino)ethyl]-2-(' non-polymer        48  27 .
AAR      AAR 'ARGININEAMIDE                       ' non-polymer        28  12 .
AAS      AAS '3-ACTOXYMERCURI-4-AMINOBENZENESULFON' non-polymer        26  16 .
AAT      AAT 'S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE ' non-polymer        58  29 .
AAU      AAU '(5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4' non-polymer        86  47 .
AAX      AAX 'N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-' non-polymer        58  34 .
AAY      AAY '"8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXY' non-polymer        93  44 .
AAZ      AAZ 'N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL' non-polymer        52  31 .
AB0      AB0 '"3,7:6,10:9,14-TRIANHYDRO-2,5,11,12,' non-polymer        47  24 .
AB1      AB1 'N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENO' non-polymer        94  46 .
AB2      AB2 '"[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{I' non-polymer        88  47 .
AB3      AB3 '3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[' non-polymer        38  21 .
AB4      AB4 '2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDRO' non-polymer        45  30 .
AB5      AB5 '2(S)-AMINO-6-BORONOHEXANOIC ACID    ' non-polymer        28  13 .
AB6      AB6 '(2R)-4-AMINO-N-((1R,2S,3R,4R,5S)-5-A' non-polymer        80  36 .
AB8      AB8 '"(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDR' non-polymer        91  43 .
AB9      AB9 '(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-5-A' non-polymer        78  35 .
ABA      ABA 'ALPHA-AMINOBUTYRIC ACID             ' peptide            15   7 .
ABB      ABB '(2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIM' non-polymer        57  31 .
ABC      ABC 'MODIFIED ACARBOSE HEXASACCHARIDE    ' non-polymer       127  64 .
ABD      ABD 'ACARBOSE DERIVED HEXASACCHARIDE     ' non-polymer       129  66 .
ABE      ABE 'ABEQUOSE                            ' pyranose           22  10 .
ABF      ABF 'BETA-D-ARABINOFURANOSE-5'-PHOSPHATE ' non-polymer        23  14 .
ABG      ABG '.                                   ' non-polymer        48  31 .
ABH      ABH '2(S)-AMINO-6-BORONOHEXANOIC ACID    ' non-polymer        27  13 .
ABI      ABI '5-AMIDINO-BENZIMIDAZOLE             ' non-polymer        21  12 .
ABJ      ABJ '3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRA' non-polymer        35  20 .
ABL      ABL '6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-' non-polymer        46  23 .
ABM      ABM 'METHYL PHOSPHONIC ACID ADENOSINE EST' non-polymer        39  23 .
ABN      ABN 'BENZYLAMINE                         ' non-polymer        17   8 .
ABO      ABO '4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZ' non-polymer        43  27 .
ABP      ABP '8-BROMOADENOSINE-5'-DIPHOSPHATE     ' non-polymer        39  28 .
ABR      ABR '(R)-(N-PHENYL-2-HYDROXY-ETHYL)-2'-DE' DNA                51  31 .
ABS      ABS '(S)-(N-PHENYL-2-HYDROXY-ETHYL)-2'-DE' DNA                51  31 .
ABT      ABT '.                                   ' non-polymer        45  31 .
ABU      ABU 'GAMMA-AMINO-BUTANOIC ACID           ' non-polymer        15   7 .
ABV      ABV '1,3-benzothiazol-2-amine            ' non-polymer        16  10 .
ABW      ABW '"5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2' non-polymer        43  21 .
ABX      ABX '5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-' non-polymer        44  21 .
ABY      ABY 'N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZ' non-polymer        50  26 .
ABZ      ABZ '4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YL' non-polymer        41  27 .
AC0      AC0 '1-PHENYLETHANONE                    ' non-polymer        17   9 .
AC1      AC1 '6-METHYL-5-(4,5,6-TRIHYDROXY-3-HYDRO' non-polymer        45  22 .
AC2      AC2 '9-HYROXYETHOXYMETHYLGUANINE         ' non-polymer        27  16 .
AC5      AC5 '1-AMINOCYCLOPENTANECARBOXYLIC ACID  ' non-polymer        19   9 .
AC6      AC6 'P-HYDROXYACETOPHENONE               ' non-polymer        18  10 .
AC7      AC7 '.                                   ' non-polymer        63  37 .
AC9      AC9 'TRISACETYLACETONATOCHROMIUM(III)    ' non-polymer        43  22 .
ACA      ACA '6-AMINOHEXANOIC ACID                ' non-polymer        21   9 .
ACB      ACB '3-METHYL-ASPARTIC ACID              ' non-polymer        17  10 .
ACC      ACC 'N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-' non-polymer        46  24 .
ACD      ACD 'ARACHIDONIC ACID                    ' non-polymer        53  22 .
ACE      ACE 'ACETYL GROUP                        ' non-polymer         7   3 .
ACF      ACF '"3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL' non-polymer        49  26 .
ACG      ACG 'MODIFIED ACARBOSE PENTASACCHARIDE   ' non-polymer       107  54 .
ACH      ACH 'ACETYLCHOLINE                       ' non-polymer        26  10 .
ACI      ACI '6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-E' non-polymer        25  12 .
A        A   'ADENOSINE-5'-MONOPHOSPHATE          ' RNA                35  23 .
ACJ      ACJ '5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENO' non-polymer        30  24 .
ACK      ACK '"(3AR,4R,6R,6AR)-4-(6-AMINO-9H-PURIN' non-polymer        33  22 .
ACL      ACL 'DEOXY-CHLOROMETHYL-ARGININE         ' non-polymer        28  13 .
ACM      ACM 'ACETAMIDE                           ' non-polymer         9   4 .
ACN      ACN 'ACETONE                             ' non-polymer        10   4 .
ACO      ACO 'ACETYL COENZYME *A                  ' non-polymer        85  51 .
ACP      ACP 'PHOSPHOMETHYLPHOSPHONIC ACID ADENYLA' non-polymer        48  31 .
ACQ      ACQ 'DIPHOSPHOMETHYLPHOSPHONIC ACID ADENY' non-polymer        51  35 .
ACR      ACR 'ALPHA-ACARBOSE                      ' non-polymer        87  44 .
ACS      ACS '1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ET' non-polymer        44  25 .
ACT      ACT 'ACETATE ION                         ' non-polymer         7   4 .
ACV      ACV 'L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-V' non-polymer        47  24 .
ACW      ACW 'D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-M' non-polymer        48  25 .
ACX      ACX 'ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOS' non-polymer       126  66 .
ACY      ACY 'ACETIC ACID                         ' non-polymer         7   4 .
ACZ      ACZ 'CIS-AMICLENOMYCIN                   ' non-polymer        29  14 .
AD0      AD0 'DIGALACTURONIC ACID                 ' non-polymer        41  25 .
AD1      AD1 '(3S)-3-hydroxy-1-methyl-2,3-dihydro-' non-polymer        22  13 .
AD2      AD2 '2'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATE' non-polymer        37  26 .
AD3      AD3 '3-DEAZA-ADENOSINE                   ' non-polymer        33  19 .
AD4      AD4 '.                                   ' non-polymer       137  62 .
AD5      AD5 'N~6~-cyclohexyl-N~2~-(4-morpholin-4-' non-polymer        56  29 .
AD6      AD6 '4-[(5-bromo-1,3-thiazol-2-yl)amino]-' non-polymer        27  17 .
AD7      AD7 '"octyl 3-amino-3-deoxy-2-O-(2,6-dide' non-polymer        68  29 .
AD8      AD8 '1-(adamantan-1-yl)-2-(1H-imidazol-1-' non-polymer        38  18 .
AD9      AD9 'ADP METAVANADATE                    ' non-polymer        45  31 .
ADA      ADA 'ALPHA-D-GALACTOPYRANURONIC ACID     ' pyranose           22  13 .
ADB      ADB '4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-' non-polymer        35  25 .
ADC      ADC '(1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLO' non-polymer        28  17 .
ADD      ADD '2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-9-M' non-polymer        56  24 .
ADE      ADE 'ADENINE                             ' non-polymer        15  10 .
ADF      ADF '"4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL' non-polymer        61  29 .
ADH      ADH '1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHY' non-polymer        24  11 .
ADI      ADI '2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHAT' non-polymer        37  25 .
ADJ      ADJ 'NICOTINAMIDE-ADENINE-DINUCLEOTIDE-AD' non-polymer       107  66 .
ADK      ADK '3-METHYL-3H-PURIN-6-YLAMINE         ' non-polymer        18  11 .
ADL      ADL '(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-AN' non-polymer        32  21 .
ADM      ADM 'ADAMANTANE                          ' non-polymer        26  10 .
ADN      ADN 'ADENOSINE                           ' non-polymer        32  19 .
ADO      ADO 'ADAMANTANONE                        ' non-polymer        25  11 .
ADP      ADP 'ADENOSINE-5'-DIPHOSPHATE            ' non-polymer        39  27 .
ADQ      ADQ 'ADENOSINE-5'-DIPHOSPHATE-GLUCOSE    ' non-polymer        61  38 .
ADR      ADR '2,6-DIAMINO-2,3,6-TRIDEOXY-ALPHA-D-R' non-polymer        24  10 .
ADS      ADS 'ADENOSINE-5'-(DITHIO)PHOSPHATE      ' non-polymer        37  23 .
ADT      ADT '3'-DEOXY-3'-ACETAMIDO-THYMIDINE     ' non-polymer        37  20 .
ADU      ADU '3'-DEOXY-3'-ACETAMIDO-URIDINE       ' non-polymer        35  20 .
ADV      ADV 'ALPHA-BETA METHYLENE ADP-RIBOSE     ' non-polymer        61  36 .
ADW      ADW 'ADENOSINE-5'-DITUNGSTATE            ' non-polymer        42  27 .
ADX      ADX 'ADENOSINE-5'-PHOSPHOSULFATE         ' non-polymer        40  27 .
ADY      ADY '3'-OXO-ADENOSINE                    ' non-polymer        30  19 .
ADZ      ADZ '9-METHYL-9H-PURIN-6-AMINE           ' non-polymer        18  11 .
AE1      AE1 '"2-{[[(1S)-1-AMINO-2-CARBOXYETHYL](D' non-polymer        36  18 .
AE2      AE2 'AETIOCHOLANOLONE                    ' non-polymer        51  21 .
AE3      AE3 '2-(2-ETHOXYETHOXY)ETHANOL           ' non-polymer        23   9 .
AE4      AE4 '3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL ' non-polymer        44  18 .
AEA      AEA '(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-' non-polymer        20  11 .
AEB      AEB 'AERUGINOSIN 98-B                    ' non-polymer        91  45 .
AED      AED '4-(2-aminoethyl)-2-cyclohexylphenol ' non-polymer        37  16 .
AEE      AEE '6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]' non-polymer        65  33 .
AEF      AEF '4-(2-aminoethyl)phenol              ' non-polymer        21  10 .
AEG      AEG '4-[(2R)-2-aminopropyl]phenol        ' non-polymer        24  11 .
AEH      AEH '4-(2-aminoethyl)-2-ethylphenol      ' non-polymer        27  12 .
AEI      AEI 'THREONINE-ASPARTIC ESTER            ' peptide            30  16 .
AEJ      AEJ '(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO' non-polymer        66  33 .
AEM      AEM '2-AMINOETHANIMIDIC ACID             ' non-polymer        10   4 .
AEN      AEN '5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHY' non-polymer        37  21 .
AEP      AEP '3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY' non-polymer        27  15 .
AES      AES '4-(2-AMINOETHYL)BENZENESULFONYL FLUO' non-polymer        23  13 .
AET      AET 'N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)' RNA                54  34 .
AF1      AF1 '4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-' pyranose           45  22 .
AF2      AF2 '.                                   ' DNA                34  23 .
AF3      AF3 'ALUMINUM FLUORIDE                   ' non-polymer         4   4 .
AF4      AF4 '2,4-BIS{[4-(N-ISOPORPYL)DIAMINOMETHY' non-polymer        61  29 .
AFA      AFA 'N-[7-METHYL-OCT-2,4-DIENOYL]ASPARAGI' non-polymer        38  19 .
AFB      AFB '1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO' non-polymer        44  20 .
AFC      AFC '(3R,12R)-3-AMINO-12-METHYLTETRADECAN' non-polymer        48  17 .
AF       AF  '2-AMINOFLUORENE                     ' non-polymer        25  14 .
AFF      AFF '2-ACETYLAMINOFLUORENE-3-YL          ' non-polymer        30  17 .
AFG      AFG 'N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)' DNA                58  37 .
AFH      AFH '.                                   ' non-polymer        64  40 .
AFI      AFI '2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE' non-polymer        45  26 .
AFJ      AFJ '(2R,4S,5S)-N-butyl-4-hydroxy-2,7-dim' non-polymer        82  33 .
AFN      AFN '8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1  ' non-polymer        38  24 .
AFP      AFP 'ALPHA FRUCTOSE 1,6-DIPHOSPHATE      ' non-polymer        30  20 .
AFQ      AFQ '6-amino-4-{2-[(cyclopentylmethyl)ami' non-polymer        51  26 .
AFZ      AFZ '2,4-BIS(4-AMIDINOPHENYL)FURAN       ' non-polymer        39  23 .
AG0      AG0 '(6R)-6-cyclopentyl-6-[2-(2,6-diethyl' non-polymer        74  37 .
AG1      AG1 'RUTHENIUM PYRIDOCARBAZOLE           ' non-polymer        56  40 .
AG2      AG2 'AGMATINE                            ' non-polymer        23   9 .
AG3      AG3 '1-{4-[(3-aminopropyl)amino]butyl}gua' non-polymer        34  13 .
AG4      AG4 'N-(3-methoxypropyl)-2-(phenylsulfany' non-polymer        44  25 .
AG5      AG5 'N-(2-phenylethyl)-2-(phenylsulfanyl)' non-polymer        47  28 .
AG6      AG6 'N-[(benzyloxy)carbonyl]-L-alpha-glut' non-polymer        83  45 .
AG7      AG7 '"4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[' non-polymer        84  43 .
AGA      AGA '"(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL' non-polymer        66  30 .
AGB      AGB 'N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZY' non-polymer        52  25 .
AG       AG  'SILVER ION                          ' non-polymer         1   1 .
AGD      AGD '3-(2-amino-6-oxo-1,6-dihydro-9H-puri' peptide            26  17 .
AGE      AGE '(2E)-N-hydroxy-3-[1-methyl-4-(phenyl' non-polymer        37  21 .
AGF      AGF 'O-(((1R)-((N-(PHENYL-METHOXY-CARBONY' non-polymer        56  32 .
AGG      AGG 'TIROFIBAN                           ' non-polymer        65  30 .
AGH      AGH 'N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYR' non-polymer       159  60 .
AGI      AGI '5,7-dihydroxy-2-(4-hydroxyphenyl)-4H' non-polymer        30  20 .
AGL      AGL '4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE ' pyranose           24  11 .
AGM      AGM '5-METHYL-ARGININE                   ' peptide            29  13 .
AGN      AGN '.                                   ' non-polymer        64  41 .
AGO      AGO '2-amino-9-(5-O-[(R)-hydroxy{[(R)-hyd' non-polymer        63  42 .
AGP      AGP '2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE' non-polymer        30  16 .
AGQ      AGQ '3-[(3E)-3-(carbamimidoylhydrazono)-4' peptide            31  19 .
AGS      AGS 'PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE' non-polymer        45  31 .
AGT      AGT 'S-{(S)-AMINO[(4-AMINOBUTYL)AMINO]MET' peptide            34  15 .
AGU      AGU 'AMINOGUANIDINE                      ' non-polymer        11   5 .
AGX      AGX '(1S)-1-(1H-benzimidazol-2-yl)ethyl (' non-polymer        36  23 .
AGY      AGY '2-[(4-tert-butyl-3-nitrophenyl)carbo' non-polymer        52  30 .
AH0      AH0 '2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA' non-polymer        35  19 .
AH1      AH1 'AHA001                              ' non-polymer        74  40 .
AH8      AH8 '(2R,3R,4R,5S)-2-azido-5-(hydroxymeth' non-polymer        21  12 .
AHB      AHB 'BETA-HYDROXYASPARAGINE              ' peptide            17  10 .
AHC      AHC '4-AMINOHYDROCINNAMIC ACID           ' non-polymer        22  12 .
AHD      AHD '4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPH' non-polymer        23  14 .
AHE      AHE '"2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOY' non-polymer        39  22 .
AHF      AHF '2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL' non-polymer        87  47 .
AHG      AHG '2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATE ' non-polymer        29  19 .
AHH      AHH 'AMINO-HYDROXYHEPTANOIC ACID         ' non-polymer        25  11 .
AHI      AHI '3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AM' non-polymer        22   9 .
AHL      AHL 'N-HYDROXY-L-ARGININAMIDE            ' non-polymer        28  13 .
AHM      AHM '2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATE ' non-polymer        29  19 .
AHN      AHN 'N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMI' non-polymer        22  11 .
AHO      AHO 'N-ACETYL-N-HYDROXY-L-ORNITHINE      ' non-polymer        26  13 .
AHP      AHP '2-AMINO-HEPTANOIC ACID              ' peptide            24  10 .
AHQ      AHQ '"(2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,' non-polymer        35  24 .
AHR      AHR 'ALPHA-L-ARABINOFURANOSE             ' furanose           20  10 .
AHS      AHS '(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTY' non-polymer        50  20 .
AHT      AHT '4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHE' non-polymer        33  15 .
AHU      AHU '1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(5-IO' non-polymer        31  18 .
AHX      AHX 'SERYL-HYDROXAMATE-ADENOSINE MONOPHOS' non-polymer        49  30 .
AHY      AHY '(2S,3R)-3-AMINO-2-HYDROXYDECANOIC AC' non-polymer        34  14 .
AHZ      AHZ 'ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)' non-polymer        57  38 .
AI1      AI1 'N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-B' non-polymer        51  28 .
AI2      AI2 '3A-METHYL-5,6-DIHYDRO-FURO[2,3-D][1,' non-polymer        23  13 .
AI3      AI3 '2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]I' non-polymer        40  24 .
AI7      AI7 '3-(heptyloxy)benzoic acid           ' non-polymer        36  17 .
AIA      AIA '(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ET' non-polymer        41  18 .
AIB      AIB 'ALPHA-AMINOISOBUTYRIC ACID          ' peptide            15   7 .
AIC      AIC '"(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENY' non-polymer        42  24 .
AI       AI  '"(2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-CYCL' non-polymer       122  58 .
AIF      AIF '"[(2R,3S,4R,5E)-5-[(5-amino-2,6-diox' non-polymer        36  23 .
AIG      AIG '4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-T' pyranose           43  18 .
AIH      AIH '(2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHY' non-polymer        65  34 .
AIJ      AIJ '(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(' non-polymer        62  33 .
AIK      AIK 'N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-(' non-polymer        72  38 .
AIL      AIL 'N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLC' non-polymer        39  21 .
AIM      AIM '4-(4-AMINO-CYCLOHEXYLIDENE)-4H-IMIDA' non-polymer        27  13 .
AIN      AIN '2-(ACETYLOXY)BENZOIC ACID           ' non-polymer        20  13 .
AIO      AIO '[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROL' non-polymer        47  21 .
AIP      AIP 'ANTIPAIN                            ' non-polymer        86  43 .
AIQ      AIQ '2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFA' non-polymer        32  20 .
AIR      AIR '5-AMINOIMIDAZOLE RIBONUCLEOTIDE     ' non-polymer        31  19 .
AIS      AIS '5-AMINOIMIDAZOLE RIBONUCLEOSIDE     ' non-polymer        28  15 .
AIT      AIT '(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(' non-polymer        62  33 .
AIU      AIU '(2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHY' non-polymer        65  34 .
AIX      AIX '"(2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-' non-polymer        44  24 .
AIZ      AIZ '"3-{6-[(2-CHLOROPHENYL)AMINO]-1H-IND' non-polymer        60  35 .
AJ3      AJ3 '3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-' non-polymer        19   9 .
AJA      AJA '"(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1' non-polymer        64  29 .
AJB      AJB '2-amino-N-(4-methyl-1,3-thiazol-2-yl' non-polymer        37  23 .
AJD      AJD '5-bromo-2-[(3R)-piperidin-3-ylamino]' non-polymer        31  17 .
AJH      AJH '"4-({4-[(3R)-3-amino-4-(2,4,5-triflu' non-polymer        56  33 .
AJI      AJI '3-[(4-fluorophenyl)sulfanyl]-N-(4-me' non-polymer        45  30 .
AJM      AJM 'AJMALINE                            ' non-polymer        44  22 .
AJZ      AJZ '3-(4-morpholin-4-ylthieno[3,2-d]pyri' non-polymer        37  22 .
AK1      AK1 '1-{5-[2-(thieno[3,2-d]pyrimidin-4-yl' non-polymer        46  31 .
AK2      AK2 '1-(3-chlorophenyl)-3-{5-[2-(thieno[3' non-polymer        43  28 .
AK3      AK3 '1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d' non-polymer        49  32 .
AK4      AK4 '"(7-{[2-(2-{[(3-chlorophenyl)carbamo' non-polymer        48  32 .
AK5      AK5 '3-({3-[(6-amino-5-bromopyrimidin-4-y' non-polymer        51  31 .
AK6      AK6 '4-methoxy-N-phenyl-3-({3-[(1H-pyrrol' non-polymer        57  33 .
AK7      AK7 '1-(5-{2-[(6-amino-5-bromopyrimidin-4' non-polymer        45  30 .
AK8      AK8 '1-[3-methyl-4-({3-[2-(methylamino)py' non-polymer        57  36 .
AKA      AKA '10-DECARBOXYMETHYLACLACINOMYCIN A (D' non-polymer       105  54 .
AKB      AKB '2-AMINO-3-KETOBUTYRIC ACID          ' non-polymer        14   8 .
AKC      AKC '"2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3' non-polymer        85  46 .
AKD      AKD '5-bromo-2-[(3S)-piperidin-3-ylamino]' non-polymer        31  17 .
AKG      AKG '2-OXOGLUTARIC ACID                  ' non-polymer        14  10 .
AKL      AKL '3-AMINO-5-CHLORO-4-OXOPENTANOIC ACID' non-polymer        17  10 .
AKN      AKN '(2R)-4-AMINO-N-{(1R,2S,3S,4R,5S)-5-A' non-polymer        83  40 .
AKP      AKP 'N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEU' non-polymer       119  62 .
AKR      AKR 'ACRYLIC ACID                        ' non-polymer         8   5 .
AKT      AKT '10-DECARBOXYMETHYLACLACINOMYCIN T (D' non-polymer        70  37 .
AKV      AKV '{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5' non-polymer        52  30 .
AKY      AKY '.                                   ' non-polymer       111  58 .
AL0      AL0 '3-[HYDROXY(NITROSO)AMINO]-L-ALANINE ' non-polymer        16  10 .
AL1      AL1 '3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-' non-polymer        37  23 .
AL2      AL2 '3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPH' non-polymer        38  24 .
AL3      AL3 '3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMET' non-polymer        34  22 .
AL4      AL4 '(R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-ME' non-polymer        41  22 .
AL5      AL5 'THIOPHENE-2,5-DISULFONIC ACID 2-AMID' non-polymer        35  21 .
AL6      AL6 '2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E' non-polymer        35  23 .
AL7      AL7 '(S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-' non-polymer        42  25 .
AL8      AL8 '(R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-' non-polymer        42  25 .
AL9      AL9 'N-[(4-METHOXYPHENYL)METHYL]2,5-THIOP' non-polymer        36  22 .
ALA      ALA 'ALANINE                             ' peptide            10   5 .
ALB      ALB 'DELTA-2-ALBOMYCIN A1                ' non-polymer       125  69 .
ALC      ALC '2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID ' peptide            28  12 .
AL       AL  'ALUMINUM ION                        ' non-polymer         1   1 .
ALD      ALD 'CARBOBENZYLOXYLEUCINYL-LEUCINYL-LEUC' non-polymer        77  34 .
ALE      ALE 'L-EPINEPHRINE                       ' non-polymer        26  13 .
ALF      ALF 'TETRAFLUOROALUMINATE ION            ' non-polymer         5   5 .
ALG      ALG 'GUANIDINOBUTYRYL GROUP              ' non-polymer        20   9 .
ALH      ALH '6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE  ' non-polymer        37  20 .
ALI      ALI 'METHYL N-ACETYL ALLOSAMINE          ' non-polymer        26  14 .
ALJ      ALJ 'CYCLO-(L-ARGININE-L-PROLINE) INHIBIT' non-polymer        37  18 .
ALK      ALK '(1R)-1-[DIHYDROXY(METHOXY)-LAMBDA^5^' non-polymer        18   8 .
ALL      ALL 'D-ALLOPYRANOSE                      ' non-polymer        24  12 .
ALM      ALM '1-METHYL-ALANINAL                   ' non-polymer        15   6 .
ALN      ALN 'NAPHTHALEN-2-YL-3-ALANINE           ' peptide            28  16 .
ALO      ALO 'ALLO-THREONINE                      ' peptide            16   8 .
ALP      ALP '2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DI' non-polymer        29  16 .
ALQ      ALQ '2-METHYL-PROPIONIC ACID             ' non-polymer        13   6 .
ALR      ALR 'ALRESTATIN                          ' non-polymer        27  19 .
ALS      ALS '2-AMINO-3-OXO-4-SULFO-BUTYRIC ACID  ' non-polymer        16  12 .
ALT      ALT 'THIOALANINE                         ' non-polymer        13   6 .
ALU      ALU 'METHYL HYDROGEN (S)-ACETYLPHOSPHONAT' non-polymer        15   8 .
ALW      ALW 'METHYL 5-(PROPYLSULFINYL)-1H-BENZIMI' non-polymer        34  19 .
ALY      ALY 'N(6)-ACETYLLYSINE                   ' peptide            28  13 .
ALZ      ALZ '.                                   ' non-polymer        50  24 .
AM0      AM0 'N-phenyl-1-{4-[(3,4,5-trimethoxyphen' non-polymer        58  35 .
AM1      AM1 '(S)-2-AMINO-3-(3-CARBOXY-5-METHYLISO' non-polymer        23  15 .
AM2      AM2 'APRAMYCIN                           ' non-polymer        78  37 .
AM3      AM3 '"(3Z,5S,6R,7S,8S,8aR)-3-(octylimino)' non-polymer        50  22 .
AM4      AM4 '4-(METHYLSULFONYL)BENZENECARBOXIMIDA' non-polymer        23  13 .
AM5      AM5 '4-methyl-N~3~-(2-{[4-(4-methylpipera' non-polymer        73  43 .
AM6      AM6 '2-methyl-N-{4-methyl-3-[(2-{[4-(4-me' non-polymer        76  44 .
AM7      AM7 '2-benzyl-5-(3-fluoro-4-{[6-methoxy-7' non-polymer        80  45 .
AM8      AM8 'N-(3-chlorophenyl)-N-methyl-2-oxo-3-' non-polymer        53  31 .
AM9      AM9 '"6-(2,6-dimethylphenyl)-2-{[4-(4-met' non-polymer        70  40 .
AMB      AMB 'L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ' non-polymer        17   9 .
AMC      AMC 'AMINOMETHYLCYCLOHEXANE              ' non-polymer        24   8 .
AMD      AMD 'ASPARTYL-2'-DEOXY-ADENOSINE-5'-MONOP' non-polymer        47  30 .
AME      AME 'N-ACETYLMETHIONINE                  ' non-polymer        24  12 .
AMF      AMF '"(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)' non-polymer        50  22 .
AMG      AMG 'ALPHA-METHYL-D-GALACTOSIDE          ' non-polymer        27  13 .
AMH      AMH 'TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CAR' non-polymer        25  11 .
AMI      AMI 'ALLOSAMIZOLINE                      ' non-polymer        31  15 .
AMJ      AMJ 'N~2~-acetyl-N-benzyl-O-methyl-L-seri' non-polymer        36  18 .
AMK      AMK '"(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMO' non-polymer        93  45 .
AML      AML 'AMYLAMINE                           ' non-polymer        19   6 .
AMM      AMM '(2S)-2-{[(AMINOMETHYL)(DIHYDROXY)SIL' non-polymer        32  13 .
AMN      AMN '9-DEOXY-9-AMINO-2-O-METHYL-5-N-ACETY' non-polymer        43  22 .
AMO      AMO 'ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE ' non-polymer        48  31 .
AMP      AMP 'ADENOSINE MONOPHOSPHATE             ' non-polymer        35  23 .
AMQ      AMQ '(S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4' non-polymer        22  13 .
AMR      AMR '3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-C' non-polymer        23  15 .
AMS      AMS '3-MERCURI-4-AMINOBENZENESULFONAMIDE ' non-polymer        19  12 .
AMT      AMT '2-AMINOTHIAZOLE                     ' non-polymer        10   6 .
AMU      AMU 'BETA-N-ACETYLMURAMIC ACID           ' pyranose           38  20 .
AMV      AMV '"METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-' non-polymer        41  21 .
AMW      AMW 'ADENOSINE MONOTUNGSTATE             ' non-polymer        37  23 .
AMX      AMX 'AMIDOCARBOXYMETHYLDETHIA COENZYME *A' non-polymer        86  51 .
AMY      AMY 'ANTIMYCIN                           ' non-polymer        76  38 .
AMZ      AMZ 'AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUC' non-polymer        35  22 .
AN0      AN0 'N-ACETYL-L-NORVALINE                ' non-polymer        23  11 .
AN1      AN1 '3-(10-METHYL-ANTHRACEN-9-YL)-PROPION' non-polymer        35  20 .
AN2      AN2 'AMP PHOSPHORAMIDATE                 ' non-polymer        42  27 .
AN3      AN3 'ANTHRACENE                          ' non-polymer        24  14 .
AN4      AN4 '3,4,5,6-tetrahydro-2,3'-bipyridine  ' non-polymer        24  12 .
AN5      AN5 '5-amino-1-pyridin-3-ylpentan-1-one  ' non-polymer        27  13 .
AN7      AN7 '"(3E)-4-{3-hydroxy-2-methyl-5-[(phos' non-polymer        30  21 .
AN9      AN9 '1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO' non-polymer        72  36 .
ANA      ANA '4-O-ACETYL-ALPHA-2-OMETHYL-5-N-ACETY' non-polymer        47  25 .
ANB      ANB 'ANDROSTA-1,4-DIENE-3,17-DIONE       ' non-polymer        45  21 .
ANC      ANC 'ANTHRACEN-1-YLAMINE                 ' non-polymer        26  15 .
AND      AND '3-BETA-HYDROXY-5-ANDROSTEN-17-ONE   ' non-polymer        49  21 .
ANF      ANF 'ANTHRONE                            ' non-polymer        25  15 .
ANG      ANG '8-AMINOGUANINE                      ' non-polymer        18  12 .
ANH      ANH '"METHYL N-[(4-METHYLPHENYL)SULFONYL]' non-polymer        54  30 .
ANI      ANI '4-(trifluoromethyl)aniline          ' non-polymer        17  11 .
ANJ      ANJ '"(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO' non-polymer        79  39 .
ANL      ANL 'ANILINE                             ' non-polymer        14   7 .
ANM      ANM 'ANISOMYCIN                          ' non-polymer        38  19 .
ANN      ANN '4-METHOXYBENZOIC ACID               ' non-polymer        18  11 .
ANO      ANO '5-BETA-ANDROSTANE-3,17-DIONE        ' non-polymer        49  21 .
ANP      ANP 'PHOSPHOAMINOPHOSPHONIC ACID-ADENYLAT' non-polymer        47  31 .
ANQ      ANQ 'ACENAPHTHENEQUINONE                 ' non-polymer        20  14 .
ANR      ANR 'ANHYDRORETINOL                      ' non-polymer        48  20 .
ANS      ANS '5-(DIMETHYLAMINO)-1-NAPHTHALENESULFO' non-polymer        30  17 .
ANT      ANT 'ANTHRAMYCIN                         ' non-polymer        40  23 .
ANU      ANU '2,2'-ANHYDROURIDINE                 ' non-polymer        26  16 .
ANW      ANW '2-amino-7-(1-methylethyl)-5-oxo-5H-c' non-polymer        35  22 .
ANX      ANX '2,5-DINITROPHENOL                   ' non-polymer        17  13 .
ANY      ANY '"2-METHYL-BUTYRIC ACID 3-(3-FORMYLAM' non-polymer        82  40 .
ANZ      ANZ '.                                   ' non-polymer        48  33 .
AO1      AO1 '(2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSU' non-polymer        50  24 .
AO2      AO2 'N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL-2-HY' non-polymer        49  22 .
AO3      AO3 'ALLOSAMIDIN                         ' non-polymer        85  43 .
AO5      AO5 '.                                   ' non-polymer        45  23 .
AOA      AOA '(AMINOOXY)ACETIC ACID               ' non-polymer        10   6 .
AOD      AOD '5-bromo-2-{[(1S,3R)-3-carboxycyclohe' non-polymer        34  20 .
AOE      AOE 'N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3' non-polymer        93  38 .
AOG      AOG '4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-T' pyranose           49  20 .
AOL      AOL '(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE' non-polymer        21  10 .
AOM      AOM '5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIO' non-polymer        53  21 .
AON      AON '5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-D' non-polymer        53  21 .
AOO      AOO 'N-ethyl-6-methoxy-N'-(1-methylethyl)' non-polymer        32  15 .
AOP      AOP 'PENTYLOXYAMINO-ACETALDEHYDE         ' non-polymer        25  10 .
AOR      AOR 'N~2~-ACETYL-L-ORNITHINE             ' non-polymer        25  12 .
AOS      AOS 'D-ALLOSE                            ' non-polymer        24  12 .
AP0      AP0 'ACETYL PYRIDINE ADENINE DINUCLEOTIDE' non-polymer        74  44 .
AP1      AP1 '"{3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{' non-polymer        96  50 .
AP2      AP2 'PHOSPHOMETHYLPHOSPHONIC ACID ADENOSY' non-polymer        44  27 .
AP3      AP3 '"2-(1-CARBOXY-2-HYDROXY-2-METHYL-PRO' non-polymer        35  18 .
AP4      AP4 '7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA' non-polymer        25  16 .
AP5      AP5 'BIS(ADENOSINE)-5'-PENTAPHOSPHATE    ' non-polymer        81  57 .
AP6      AP6 '2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAH' non-polymer        32  18 .
AP7      AP7 '.                                   ' RNA                36  23 .
AP8      AP8 '.                                   ' non-polymer       177  76 .
AP9      AP9 '(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)' non-polymer        54  28 .
APA      APA 'AMIDO PHENYL PYRUVIC ACID           ' non-polymer        24  15 .
APB      APB 'M-AMINOPHENYLBORONIC ACID           ' non-polymer        18  10 .
APC      APC 'DIPHOSPHOMETHYLPHOSPHONIC ACID ADENO' non-polymer        47  31 .
AP       AP  'N-1-AMINOPYRENE                     ' non-polymer        28  17 .
APD      APD '3-METHYLPHENYLALANINE               ' non-polymer        25  13 .
APE      APE '(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC AC' non-polymer        25  13 .
APF      APF '"1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENY' non-polymer        30  18 .
APG      APG 'ATROLACTIC ACID (2-PHENYL-LACTIC ACI' non-polymer        21  12 .
APH      APH 'P-AMIDINOPHENYL-3-ALANINE           ' peptide            27  15 .
API      API '2,6-DIAMINOPIMELIC ACID             ' non-polymer        25  13 .
APJ      APJ 'N~2~-1H-benzimidazol-5-yl-N~4~-(3-cy' non-polymer        41  25 .
APK      APK '5'-O-[(S)-{[(5S)-5-AMINO-6-OXOHEXYL]' non-polymer        57  31 .
APL      APL 'N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHY' non-polymer        33  19 .
APM      APM 'M-AMIDINOPHENYL-3-ALANINE           ' peptide            27  15 .
APN      APN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        36  21 .
APO      APO 'D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID' non-polymer        17  10 .
APP      APP '1-ACETYL-2-CARBOXYPIPERIDINE        ' non-polymer        24  12 .
APQ      APQ '2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3' non-polymer        34  18 .
APR      APR 'ADENOSINE-5-DIPHOSPHORIBOSE         ' non-polymer        57  36 .
APS      APS '9-HYDROXYPROPYLADENINE, S-ISOMER    ' non-polymer        25  14 .
APT      APT '2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-M' non-polymer        35  23 .
APU      APU 'ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MO' non-polymer        65  43 .
APV      APV '"6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO' non-polymer        41  24 .
APW      APW '"{5'-O-[(R)-{[(S)-AMINO(HYDROXY-KAPP' non-polymer        42  28 .
APX      APX '2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHO' non-polymer        65  40 .
APY      APY '2-AMINOMETHYL-PYRIDINE              ' non-polymer        16   8 .
APZ      APZ '4-AMINOPHTHALHYDRAZIDE              ' non-polymer        20  13 .
AQ4      AQ4 '[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLIN' non-polymer        52  29 .
AQC      AQC '9,10-dioxo-9,10-dihydroanthracene-2-' non-polymer        28  19 .
AQO      AQO '2-AMINOQUINAZOLIN-4(3H)-ONE         ' non-polymer        19  12 .
AQP      AQP 'ADENOSINE-5'-TETRAPHOSPHATE         ' non-polymer        47  35 .
AQS      AQS 'N,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINO' non-polymer        53  28 .
AQZ      AQZ 'N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-Y' non-polymer        80  43 .
AR1      AR1 '(2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-' non-polymer        63  35 .
AR2      AR2 'ARGINYL-BENZOTHIAZOLE-6-CARBOXYLIC A' non-polymer        39  23 .
AR3      AR3 'CYTARABINE                          ' non-polymer        30  17 .
AR4      AR4 '"2-AMINO-5-(3-FLUORO-3,4-DIHYDROXY-5' peptide            37  20 .
AR6      AR6 '"[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL' non-polymer        57  36 .
AR8      AR8 '"N-{[(1S)-5-{4-[25-({2,4-BIS[HYDROXY' non-polymer       121  64 .
AR9      AR9 '(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-di' non-polymer        76  31 .
ARA      ARA 'ALPHA-L-ARABINOSE                   ' pyranose           20  10 .
ARB      ARB 'BETA-L-ARABINOSE                    ' pyranose           20  10 .
ARC      ARC '3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL' non-polymer        63  21 .
AR       AR  'ARGON                               ' non-polymer         1   1 .
ARD      ARD 'C15-(R)-METHYLTHIENYL RAPAMYCIN     ' non-polymer       150  69 .
ARE      ARE 'ACARBOSE DERIVED PENTASACCHARIDE    ' non-polymer       108  55 .
ARF      ARF 'FORMAMIDE                           ' non-polymer         6   3 .
ARG      ARG 'ARGININE                            ' peptide            24  11 .
ARH      ARH '3-(HYDROXYMETHYL)-1-METHYL-5-(2-METH' non-polymer        42  24 .
ARI      ARI '[O4]-ACETOXY-2,3-DIDEOXYFUCOSE      ' non-polymer        26  12 .
ARJ      ARJ '(2S,3R,5R)-3-(6-amino-9H-purin-9-yl)' non-polymer        32  19 .
ARK      ARK '"N-({(1S)-5-[4-({2-[2-({2,4-BIS[HYDR' non-polymer        79  46 .
ARL      ARL '7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLO' non-polymer        56  25 .
ARM      ARM 'DEOXY-METHYL-ARGININE               ' non-polymer        28  12 .
ARN      ARN '1-IMINO-5-PENTANONE                 ' non-polymer        16   7 .
ARO      ARO 'C-GAMMA-HYDROXY ARGININE            ' peptide            27  13 .
ARP      ARP '9-HYDROXYPROPYLADENINE, R-ISOMER    ' non-polymer        25  14 .
ARQ      ARQ 'BENZOYLAMINO-BENZYL-METHYL-[2-HYDROX' non-polymer        75  37 .
ARR      ARR 'N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL' non-polymer        45  25 .
ARS      ARS 'ARSENIC                             ' non-polymer         1   1 .
ART      ART 'ARSENATE                            ' non-polymer         5   5 .
ARU      ARU '"5'-O-[(R)-{[(R)-[dibromo(phosphono)' non-polymer        60  37 .
ARV      ARV '5-N-ALLYL-ARGININE                  ' peptide            33  15 .
ARW      ARW 'METHYL BETA-D-ARABINOPYRANOSIDE     ' non-polymer        23  11 .
ARX      ARX '(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-' non-polymer        97  50 .
ARY      ARY 'ARYLOMYCIN A2                       ' non-polymer       118  59 .
ARZ      ARZ '(3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thia' non-polymer        40  22 .
AS0      AS0 '"4-[(11BETA,17BETA)-17-METHOXY-17-(M' non-polymer        68  33 .
AS1      AS1 'ARGININOSUCCINATE                   ' non-polymer        35  20 .
AS2      AS2 '(2R)-2-AMINO-4-OXOBUTANOIC ACID     ' peptide            14   8 .
AS3      AS3 '4-METHYL-6-PROPYLPYRIDIN-2-AMINE    ' non-polymer        25  11 .
AS4      AS4 'ALDOSTERONE                         ' non-polymer        54  26 .
AS5      AS5 '2-(acetylamino)-4-O-[2-(acetylamino)' non-polymer        56  28 .
AS9      AS9 'N-[HYDROXY(METHYL)PHOSPHORYL]-L-ASPA' non-polymer        21  13 .
ASA      ASA 'ASPARTIC ALDEHYDE                   ' non-polymer        14   8 .
ASB      ASB 'ASPARTIC ACID-4-CARBOXYMETHYL ESTER ' peptide            20  13 .
ASC      ASC 'ASCORBIC ACID                       ' non-polymer        20  12 .
AS       AS  '.                                   ' non-polymer        36  22 .
ASD      ASD '4-ANDROSTENE-3-17-DIONE             ' non-polymer        47  21 .
ASE      ASE 'N-ACETYL SEROTONIN                  ' non-polymer        30  16 .
ASF      ASF '3-(BUTYLSULPHONYL)-PROPANOIC ACID   ' non-polymer        25  12 .
ASG      ASG '2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE' pyranose           34  19 .
ASH      ASH '3-chloro-N-(4-morpholin-4-ylphenyl)-' non-polymer        48  29 .
ASK      ASK 'DEHYDROXYMETHYLASPARTIC ACID        ' non-polymer        17   9 .
ASL      ASL 'ASPARTIC ACID-4-CARBOXYETHYL ESTER  ' peptide            23  14 .
ASM      ASM '2-AMINO-4-OXO-4(1H-PYRROL-1-YL)BUTAN' peptide            22  13 .
ASN      ASN 'ASPARAGINE                          ' peptide            14   8 .
ASO      ASO '1,5-ANHYDROSORBITOL                 ' pyranose           23  11 .
ASP      ASP 'ASPARTIC-ACID                       ' peptide            12   8 .
ASR      ASR '4-AMINOPHENYLARSONIC ACID           ' non-polymer        19  11 .
AST      AST 'ARSENITE                            ' non-polymer         4   4 .
ASU      ASU '4'-THIO-2'4'-DIDEOXYRIBOFURANOSE-5'-' DNA                22  13 .
ASV      ASV 'DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTE' non-polymer        42  23 .
ASX      ASX 'ASP/ASN AMBIGUOUS                   ' non-polymer        19   8 .
ASY      ASY '(12E)-10-oxooctadec-12-enoic acid   ' non-polymer        52  21 .
ASZ      ASZ '2-(DIMETHYLAMINO)ETHANESULFONIC ACID' non-polymer        20   9 .
AT1      AT1 '(S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSP' non-polymer        39  21 .
AT2      AT2 'ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO' non-polymer        40  19 .
AT3      AT3 'ACETYLTHIOCHOLINE                   ' non-polymer        26  10 .
AT4      AT4 '5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)P' non-polymer        41  27 .
AT5      AT5 '3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMET' non-polymer        44  23 .
AT6      AT6 'N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)E' non-polymer        37  21 .
ATA      ATA 'ATRAZINE GLUTATHIONE CONJUGATE      ' non-polymer        61  33 .
ATC      ATC '9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-' non-polymer        67  37 .
ATD      ATD 'THYMIDINE-3'-PHOSPHATE              ' non-polymer        34  21 .
ATE      ATE '16,17-ANDROSTENE-3-OL               ' non-polymer        50  20 .
ATF      ATF 'PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID' non-polymer        48  33 .
ATG      ATG 'PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE' non-polymer        45  31 .
ATH      ATH '4-HYDROXY-ACONITATE ION             ' non-polymer        16  13 .
ATI      ATI 'N-(3-AMINO-2-HYDROXY-5-METHYLHEXANOY' non-polymer        69  33 .
ATJ      ATJ 'ETHYL HYDROGEN PHOSPHONATE          ' non-polymer        13   6 .
ATL      ATL '"[(1S,3R,4S,7R)-7-HYDROXY-3-(THYMIN-' non-polymer        36  23 .
ATM      ATM '3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPH' non-polymer        35  23 .
ATN      ATN 'N-[(2S,3R)-3-AMINO-2-HYDROXY-4-PHENY' non-polymer        66  33 .
ATO      ATO 'CHLOROACETONE                       ' non-polymer        10   5 .
ATP      ATP 'ADENOSINE-5'-TRIPHOSPHATE           ' non-polymer        43  31 .
ATQ      ATQ '2-AMINOTHIAZOLINE                   ' non-polymer        12   6 .
ATR      ATR '2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHA' non-polymer        42  31 .
ATS      ATS '.                                   ' non-polymer        48  31 .
ATT      ATT '2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2' non-polymer        37  22 .
ATU      ATU '9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZ' non-polymer        33  22 .
ATV      ATV '2-[(2R)-oxiran-2-ylmethyl]-1H-benzo[' non-polymer        30  19 .
ATX      ATX '(2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-O' non-polymer        29  14 .
ATY      ATY '3'-O-ACETYLTHYMIDINE-5'-DIPHOSPHATE ' non-polymer        43  28 .
ATZ      ATZ '2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMI' non-polymer        28  14 .
AU3      AU3 'GOLD 3+ ION                         ' non-polymer         1   1 .
AU4      AU4 '4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHY' non-polymer        43  20 .
AUA      AUA '.                                   ' non-polymer       108  47 .
AUC      AUC 'GOLD (I) CYANIDE ION                ' non-polymer         5   5 .
AU       AU  'GOLD ION                            ' non-polymer         1   1 .
AUK      AUK '1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11' non-polymer        61  28 .
AUP      AUP '2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-T' non-polymer        48  27 .
AUR      AUR 'AUROVERTIN B                        ' non-polymer        65  33 .
AV2      AV2 'ADENOSINE-5'-DIPHOSPHATE-2',3'-VANAD' non-polymer        41  30 .
AVC      AVC 'ADENOSINE-5'-MONOPHOSPHATE-2',3'-VAN' RNA                37  26 .
AVD      AVD '"1-(2-carboxyphenyl)-7-chloro-6-[(2-' non-polymer        44  34 .
AVE      AVE '4-[3-(2-Chloro-4,5-difluoro-benzoyl)' non-polymer        36  29 .
AVF      AVF '"1-{2-[3-(2-Chloro-4,5-difluoro-benz' non-polymer        47  31 .
AVG      AVG '2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC A' non-polymer        24  11 .
AVN      AVN '(2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDRO' non-polymer        17  11 .
AVP      AVP 'ACYCLOVIR TRIPHOSPHATE              ' non-polymer        38  28 .
AVR      AVR '(2R)-2-amino-1-[2-(1-methylethyl)pyr' non-polymer        34  17 .
AVU      AVU '"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-' non-polymer        55  35 .
AVV      AVV '"[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-' non-polymer        56  36 .
AVW      AVW '"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-' non-polymer        55  35 .
AX1      AX1 '2-amino-6-(1,3-benzodioxol-5-yl)-4-o' non-polymer        31  22 .
AX2      AX2 '1,3,5-triazine-2,4,6-triamine       ' non-polymer        15   9 .
AX3      AX3 'N~2~-cyclopropyl-1,3,5-triazine-2,4,' non-polymer        22  12 .
AX4      AX4 '6-[(4-methylphenyl)sulfanyl]pyrimidi' non-polymer        28  16 .
AX5      AX5 '6-(benzylsulfanyl)pyrimidine-2,4-dia' non-polymer        28  16 .
AX6      AX6 '6-[(4-methoxybenzyl)sulfanyl]pyrimid' non-polymer        32  18 .
AX7      AX7 '1H-benzimidazol-2-amine             ' non-polymer        17  10 .
AX8      AX8 '1-(3,4-dichlorobenzyl)-1H-benzimidaz' non-polymer        30  19 .
AXA      AXA '(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-' non-polymer        54  33 .
AXB      AXB '.                                   ' non-polymer        58  37 .
AXD      AXD '"2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5' non-polymer        57  29 .
AXF      AXF '.                                   ' non-polymer        76  34 .
AXL      AXL '"2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-' non-polymer        45  25 .
AXP      AXP '"4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-B' non-polymer        41  21 .
AXQ      AXQ '"{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1' non-polymer       100  45 .
AXR      AXR 'methyl alpha-D-arabinofuranoside    ' non-polymer        23  11 .
AXT      AXT 'ASTAXANTHIN                         ' non-polymer        96  44 .
AXX      AXX '2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6' non-polymer        34  18 .
AY1      AY1 'ANTIMYCIN A1                        ' non-polymer        82  38 .
AYA      AYA 'N-ACETYLALANINE                     ' non-polymer        17   9 .
AYB      AYB '"5'-O-[(S)-({(2S)-2-amino-6-[(propox' non-polymer        69  38 .
AYC      AYC 'ALAREMYCIN 2                        ' non-polymer        25  13 .
AYD      AYD '.                                   ' non-polymer        41  24 .
AYE      AYE 'prop-2-en-1-amine                   ' non-polymer        11   4 .
AYG      AYG '"[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-HY' non-polymer        35  21 .
AYH      AYH '(1R,3S)-3-[1-(acetylamino)-1-methyle' non-polymer        83  36 .
AYI      AYI '.                                   ' non-polymer        67  37 .
AYL      AYL '5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl' non-polymer        56  33 .
AYM      AYM '3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[' non-polymer        44  24 .
AYQ      AYQ '"N~2~-({(1R,2R,3S)-2-(methylcarbamoy' non-polymer        65  38 .
AZ0      AZ0 '"ethyl (5S,8S,14S)-14-hydroxy-5,8,11' non-polymer        90  42 .
AZ1      AZ1 'AZELAIC ACID                        ' non-polymer        27  13 .
AZ2      AZ2 '"(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSU' non-polymer        51  28 .
AZA      AZA '8-AZAXANTHINE                       ' non-polymer        14  11 .
AZC      AZC '.                                   ' non-polymer        34  18 .
AZD      AZD '3'-AZIDO-3'-DEOXYTHYMIDINE-5'-DIPHOS' non-polymer        39  27 .
AZE      AZE 'ALL-TRANS AXEROPHTHENE              ' non-polymer        50  20 .
AZF      AZF 'AZAFAGOMINE                         ' non-polymer        22  10 .
AZG      AZG '5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYR' non-polymer        15  11 .
AZI      AZI 'AZIDE ION                           ' non-polymer         3   3 .
AZK      AZK '(S)-2-AMINO-6-AZIDOHEXANOIC ACID    ' non-polymer        25  11 .
AZL      AZL '1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINO' non-polymer        63  30 .
AZM      AZM '5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULF' non-polymer        19  13 .
AZN      AZN 'ALIZARIN RED                        ' non-polymer        30  22 .
AZO      AZO '"METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOX' non-polymer        47  30 .
AZP      AZP '"(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXO' non-polymer        89  46 .
AZQ      AZQ 'AZAPROPAZONE                        ' non-polymer        40  22 .
AZR      AZR 'AZTREONAM                           ' non-polymer        44  28 .
AZS      AZS 'O-DIAZOACETYL-L-SERINE              ' peptide            18  12 .
AZT      AZT '3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHO' non-polymer        43  31 .
AZX      AZX '4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUOR' non-polymer        49  31 .
AZY      AZY '3-AZIDO-L-TYROSINE                  ' peptide            25  16 .
AZZ      AZZ '3'-azido-3'-deoxythymidine          ' non-polymer        32  19 .
B08      B08 '.                                   ' non-polymer        49  29 .
B0D      B0D '(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hyd' non-polymer        23  13 .
B10      B10 'N-{5-tert-butyl-2-methoxy-3-[({4-[6-' non-polymer        83  44 .
B11      B11 'N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-' non-polymer        59  33 .
B12      B12 'COBALAMIN                           ' non-polymer       178  91 .
B13      B13 '5-HYDROXYBENZIMIDAZOLYLCOB(III)AMIDE' non-polymer       177  90 .
B14      B14 '"1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'' non-polymer        44  28 .
B15      B15 '"[2,2'-({4-[({2-[4-(AMINOSULFONYL)PH' non-polymer        53  32 .
B17      B17 '{1-[4-(AMINOSULFONYL)PHENYL]-11-[(CA' non-polymer        54  31 .
B18      B18 '(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]' non-polymer        55  31 .
B19      B19 '"N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRA' non-polymer        44  22 .
B1L      B1L '3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-' non-polymer        49  27 .
B1M      B1M 'CO-5-METHOXYBENZIMIDAZOLYLCOBAMIDE  ' non-polymer       176  91 .
B1Q      B1Q '(4S)-1-[(2S,3S,11bS)-2-amino-9,10-di' non-polymer        55  27 .
B1T      B1T '2,2'-sulfanediylbis(4,6-dichlorophen' non-polymer        25  19 .
B1V      B1V '2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)SULF' non-polymer        35  21 .
B20      B20 '1,2-dihydro-1,2-azaborinine         ' non-polymer        12   6 .
B21      B21 '5-(2-METHOXYPHENYL)-2-FUROIC ACID   ' non-polymer        25  16 .
B22      B22 '"[2,2'-{[2-({3-[({2-[4-(AMINOSULFONY' non-polymer        57  35 .
B23      B23 '5-(2-NITROPHENYL)-2-FUROIC ACID     ' non-polymer        23  17 .
B24      B24 '1-ethyl-1,2-dihydro-1,2-azaborinine ' non-polymer        18   8 .
B27      B27 '(2R,3S) 3-amino-4-mercapto-2-butanol' non-polymer        18   7 .
B28      B28 '.                                   ' non-polymer        49  29 .
B29      B29 '[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HY' non-polymer        48  30 .
B2A      B2A 'ALANINE BORONIC ACID                ' non-polymer        14   6 .
B2       B2  '(2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHY' non-polymer        27  17 .
B2D      B2D '7-methoxy-N-[(6-phenyl[1,2,4]triazol' non-polymer        46  29 .
B2F      B2F 'PHENYLALANINE BORONIC ACID          ' non-polymer        24  12 .
B2G      B2G 'GALACTOBIOSE                        ' non-polymer        45  23 .
B2I      B2I 'ISOLEUCINE BORONIC ACID             ' non-polymer        23   9 .
B2M      B2M '"6-bromo-N'-[(1Z)-(3,5-dichloro-2-hy' non-polymer        38  26 .
B2Q      B2Q '(2S,3R,11bR)-3-butyl-9,10-dimethoxy-' non-polymer        53  23 .
B2S      B2S '(3alpha,7alpha)-3,7,15-trihydroxy-12' non-polymer        41  21 .
B2V      B2V 'VALINE BORONIC ACID                 ' non-polymer        20   8 .
B2Y      B2Y '1-biphenyl-2-ylmethanamine          ' non-polymer        27  14 .
B30      B30 '"{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOY' non-polymer        40  25 .
B31      B31 '(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-a' non-polymer        79  38 .
B32      B32 '5'-S-[2-(decylamino)ethyl]-5'-thioad' non-polymer        70  32 .
B33      B33 'N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PRO' non-polymer        41  14 .
B34      B34 '(5S)-1-benzyl-3-(1,1-dioxido-1,2-ben' non-polymer        48  28 .
B35      B35 '4-[(1S)-1-(3-fluoro-4-methoxyphenyl)' non-polymer        47  28 .
B36      B36 '6-{[1-(anthracen-9-ylcarbonyl)piperi' non-polymer        62  34 .
B37      B37 '4-({4-[(2-methylquinolin-6-yl)methyl' non-polymer        65  36 .
B38      B38 '1'-(1H-indazol-7-ylcarbonyl)-6-methy' non-polymer        49  28 .
B39      B39 '"[(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-' non-polymer        56  31 .
B3A      B3A '(3S)-3-AMINOBUTANOIC ACID           ' non-polymer        15   7 .
B3C      B3C '"benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5' non-polymer       107  56 .
B3D      B3D '3-AMINOPENTANEDIOIC ACID            ' non-polymer        17  10 .
B3E      B3E '(3S)-3-AMINOHEXANEDIOIC ACID        ' non-polymer        20  11 .
B3H      B3H '(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL ' non-polymer        51  21 .
B3I      B3I '2,3,5-TRIIODOBENZOIC ACID           ' non-polymer        14  12 .
B3K      B3K '(3S)-3,7-DIAMINOHEPTANOIC ACID      ' non-polymer        26  11 .
B3L      B3L '(3S)-3-amino-5-methylhexanoic acid  ' non-polymer        24  10 .
B3M      B3M '(3R)-3-amino-5-(methylsulfanyl)penta' non-polymer        22  10 .
B3N      B3N '"4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMO' non-polymer        47  22 .
B3P      B3P '2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-' non-polymer        45  19 .
B3Q      B3Q '(3S)-3,6-diamino-6-oxohexanoic acid ' non-polymer        22  11 .
B3S      B3S '(3R)-3-AMINO-4-HYDROXYBUTANOIC ACID ' non-polymer        16   8 .
B3T      B3T '3-amino-2,3,5-trideoxy-D-threo-pento' non-polymer        19   9 .
B3U      B3U '2-amino-L-histidine                 ' peptide            21  12 .
B3X      B3X '(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID' non-polymer        19  10 .
B3Y      B3Y '(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTA' non-polymer        26  14 .
B40      B40 '(2S)-N-methyl-1-phenylpropan-2-amine' non-polymer        26  11 .
B41      B41 '(2S)-1-(1,3-benzodioxol-5-yl)-N-meth' non-polymer        29  14 .
B42      B42 'N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5' non-polymer        70  36 .
B43      B43 '4-Amino-5-(4-phenoxyphenyl)-7H-pyrro' non-polymer        50  28 .
B44      B44 '.                                   ' non-polymer        59  39 .
B45      B45 '5-(2-chloro-4-fluorophenyl)-1-(2,6-d' non-polymer        63  36 .
B46      B46 '"prop-2-yn-1-yl {[5-(4-piperidin-1-y' non-polymer        52  30 .
B47      B47 '"methyl ({5-[4-(4-hydroxypiperidin-1' non-polymer        52  29 .
B48      B48 '4-methyl-5-[3-(methylsulfanyl)-1H-py' non-polymer        29  18 .
B49      B49 'N-[2-(diethylamino)ethyl]-5-[(Z)-(5-' non-polymer        56  29 .
B4C      B4C '"benzyl [(1S)-5-amino-1-{[(1S)-1-({(' non-polymer        97  49 .
B4D      B4D '"(3S)-6-chloro-3-[(prop-2-en-1-ylsul' non-polymer        36  22 .
B4G      B4G 'GALACTOTRIOSE                       ' non-polymer        66  34 .
B4N      B4N 'bis(4-nitrophenyl) hydrogen phosphat' non-polymer        31  23 .
B4P      B4P 'BIS(ADENOSINE)-5'-TETRAPHOSPHATE    ' non-polymer        77  53 .
B51      B51 'NICKEL/IRON/SULFUR CLUSTER          ' non-polymer        12   8 .
B52      B52 '"(2R)-2-(7-amino-1-methyl-4,5-dioxo-' non-polymer        29  19 .
B53      B53 '2,6-diamino-5-nitrosopyrimidin-4(3H)' non-polymer        16  11 .
B54      B54 '"4-{3-[(2-amino-5-nitroso-6-oxo-1,6-' non-polymer        38  24 .
B55      B55 '2-amino-8-sulfanyl-1,9-dihydro-6H-pu' non-polymer        17  12 .
B56      B56 '2-amino-8-methyl-4-oxo-3,4,7,8-tetra' non-polymer        24  16 .
B57      B57 '2,6-diamino-5-nitropyrimidin-4(3H)-o' non-polymer        17  12 .
B58      B58 '1H-imidazo[4,5-d]pyridazine-4,7-diam' non-polymer        17  11 .
B59      B59 '1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,' non-polymer        25  17 .
B5D      B5D '(3S)-7-chloro-3-methyl-3,4-dihydro-2' non-polymer        23  14 .
B5P      B5P 'N-{3-[5-hydroxy-8-(3-methylbutyl)-7-' non-polymer        55  33 .
B5R      B5R '(2S)-3-(4-chloro-3-fluorophenoxy)-N-' non-polymer        41  28 .
B60      B60 '2-amino-8-methyl-7,8-dihydropteridin' non-polymer        22  13 .
B61      B61 '2-amino-6-(2-hydroxy-2-methylpropyl)' non-polymer        35  18 .
B62      B62 '(6R)-2-amino-6-methyl-5,6,7,8-tetrah' non-polymer        24  13 .
B63      B63 '4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahy' non-polymer        39  24 .
B64      B64 '4-{[2-(methoxycarbonyl)-5-(2-thienyl' non-polymer        32  22 .
B65      B65 '(1R)-4-(3-phenoxyphenyl)-1-phosphono' non-polymer        44  25 .
B66      B66 '4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3' non-polymer        45  29 .
B67      B67 '(2S)-2-hydroxy-2-methyl-N-[4-nitro-3' non-polymer        42  32 .
B68      B68 '(2S)-3-[4-(acetylamino)phenoxy]-2-hy' non-polymer        49  31 .
B69      B69 '.                                   ' non-polymer        55  31 .
B6D      B6D '2,4-bis(acetylamino)-2,4,6-trideoxy-' pyranose           35  17 .
B70      B70 'tripotassium (1R)-4-biphenyl-4-yl-1-' non-polymer        43  27 .
B71      B71 '3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL' non-polymer        59  27 .
B72      B72 '{4-[4-hydroxy-3-(1-methylethyl)benzy' non-polymer        47  24 .
B75      B75 '.                                   ' non-polymer        60  37 .
B76      B76 '.                                   ' non-polymer        50  30 .
B77      B77 '2-[(2-methoxy-5-methylphenoxy)methyl' non-polymer        32  17 .
B78      B78 '4-[(5-methoxy-2-methylphenoxy)methyl' non-polymer        32  17 .
B7C      B7C '3-(2-deoxy-5-O-phosphono-beta-D-eryt' DNA                37  23 .
B7D      B7D '"(3R)-6-chloro-3-(dichloromethyl)-3,' non-polymer        28  20 .
B7G      B7G 'HEPTYL-BETA-D-GLUCOPYRANOSIDE       ' non-polymer        45  19 .
B7M      B7M '(10E,12Z)-hexadeca-10,12-dienal     ' non-polymer        45  17 .
B7N      B7N '"(1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,' non-polymer       143  59 .
B80      B80 'N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl' non-polymer        58  35 .
B81      B81 '(3alpha,8alpha,17beta)-androst-5-ene' non-polymer        51  21 .
B82      B82 '2-({[4-bromo-3-(diethylsulfamoyl)phe' non-polymer        45  27 .
B83      B83 '"2-[({4-[(3R,5S)-3,5-dimethylpiperid' non-polymer        60  33 .
B84      B84 '(2R)-3-cyclopentyl-N-(5-methoxy[1,3]' non-polymer        70  37 .
B85      B85 'benzylphosphonic acid               ' non-polymer        20  11 .
B86      B86 '2'-deoxy-5-fluorocytidine           ' non-polymer        29  17 .
B87      B87 '4-(1-benzothiophen-2-yl)-6-[4-(2-oxo' non-polymer        54  29 .
B88      B88 '(2S)-2-{[(S)-[(1R)-1-aminoethyl](hyd' non-polymer        27  15 .
B89      B89 '(5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2' non-polymer        47  23 .
B8D      B8D '4-O-methyl-alpha-D-glucopyranose    ' non-polymer        27  13 .
B8L      B8L '"3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AM' non-polymer        77  41 .
B8M      B8M '(8E,10Z)-HEXADECA-8,10-DIEN-1-OL    ' non-polymer        47  17 .
B90      B90 'N-[4-(dimethylphosphoryl)phenyl]-9-[' non-polymer        54  32 .
B91      B91 '3-{(E)-2-[6-(cyclopropylamino)-9H-pu' non-polymer        66  41 .
B92      B92 '"(3S)-3-({[(5S,10aS)-2-{(2S)-4-carbo' non-polymer        76  43 .
B93      B93 '"(3S)-3-({[(5S)-2-{2-[(1H-benzimidaz' non-polymer        77  43 .
B94      B94 '"(3S)-3-({[(5S,8R)-2-(3-carboxypropy' non-polymer        69  41 .
B95      B95 'N-[2-(1H-benzimidazol-2-yl)ethyl]-2-' non-polymer        39  23 .
B96      B96 '1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL' non-polymer        76  39 .
B97      B97 '"(10R)-10-methyl-3-(6-methylpyridin-' non-polymer        45  27 .
B98      B98 '(3R)-3-(aminomethyl)-9-methoxy-1,2,3' non-polymer        34  19 .
B9A      B9A 'MACROCYCLIC-BIS-9-AMINO-ACRIDINE    ' non-polymer       116  58 .
B9D      B9D 'beta-L-sorbopyranosyl fluoride      ' non-polymer        23  12 .
B9M      B9M '(10E)-hexadec-10-en-12-yn-1-ol      ' non-polymer        45  17 .
BA1      BA1 'BALANOL                             ' non-polymer        65  40 .
BA2      BA2 '"5'-DEOXY-5'-(ETHYLAMINO)-8-{[4-({5-' non-polymer        84  42 .
BA3      BA3 'BIS(ADENOSINE)-5'-TRIPHOSPHATE      ' non-polymer        73  49 .
BA4      BA4 '"[[(3R,4R,5S,6R)-3-(butanoylamino)-4' non-polymer        50  27 .
BAA      BAA '(TERT-BUTYLOXYCARBONYL)-ALANYL-ALANY' non-polymer        39  18 .
BAB      BAB 'BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE' non-polymer        44  25 .
BAC      BAC 'N-(4-IODO-BENZYL)-FORMAMIDE         ' non-polymer        19  11 .
BA       BA  'BARIUM ION                          ' non-polymer         1   1 .
BAD      BAD '(1S)-2-amino-1-phenylethyl 6-O-beta-' non-polymer        63  32 .
BAF      BAF '(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO' non-polymer        39  18 .
BAG      BAG 'N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)ME' non-polymer        39  20 .
BAH      BAH 'BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHA' non-polymer        45  27 .
BAI      BAI '(5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZI' non-polymer        36  22 .
BAK      BAK 'BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHA' non-polymer        42  26 .
BAL      BAL 'BETA-ALANINE                        ' non-polymer        12   6 .
BAM      BAM 'BENZAMIDINE                         ' non-polymer        18   9 .
BAN      BAN 'HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P' non-polymer        56  33 .
BAO      BAO 'BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHA' non-polymer        40  26 .
BAP      BAP '1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROB' non-polymer        39  23 .
BAS      BAS 'N-(1-PHENYL-PROPYL)-FORMAMIDE       ' non-polymer        25  12 .
BAT      BAT '4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2' non-polymer        63  32 .
BAU      BAU '1-((2-HYDROXYETHOXY)METHYL)-5-BENZYL' non-polymer        36  20 .
BAV      BAV '(3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[' non-polymer        84  35 .
BAX      BAX '4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL' non-polymer        48  32 .
BAY      BAY '.                                   ' non-polymer       162  80 .
BAZ      BAZ 'BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE' non-polymer        42  26 .
BB1      BB1 '"2-[(FORMYL-HYDROXY-AMINO)-METHYL]-H' non-polymer        54  23 .
BB2      BB2 'ACTINONIN                           ' non-polymer        62  27 .
BB3      BB3 '"3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2' non-polymer        45  28 .
BB6      BB6 '(2Z)-2-amino-3-sulfanylbut-2-enoic a' non-polymer        14   8 .
BB7      BB7 '(2Z)-2-amino-4-methoxy-3-sulfanylbut' non-polymer        18  10 .
BB9      BB9 '(2Z)-2-amino-3-sulfanylprop-2-enoic ' non-polymer        11   7 .
BBA      BBA '2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLO' non-polymer        56  28 .
BBB      BBB '1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BE' non-polymer        51  29 .
BBC      BBC '3-[(4-AMINOBUTYL)SULFINYL]-2-IMINOPR' non-polymer        28  12 .
BBF      BBF '1-bromo-2,3,4,5,6-pentafluorobenzene' non-polymer        12  12 .
BBH      BBH '"1-BENZYL-3-(4-METHOXY-BENZENESULFON' non-polymer        50  29 .
BBL      BBL 'N-[(BENZYLOXY)CARBONYL]-L-ALANINE   ' non-polymer        28  16 .
BBM      BBM '5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4' non-polymer        40  27 .
BBP      BBP '(5R)-3-tert-butyl-1-(6-chloro-1,3-be' non-polymer        36  20 .
BBQ      BBQ '"CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[' non-polymer        90  46 .
BBR      BBR '(3-bromo-2-oxo-propoxy)phosphonic ac' non-polymer        14  10 .
BBS      BBS '4-TERT-BUTYLBENZENESULFONIC ACID    ' non-polymer        28  14 .
BBT      BBT '2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIP' non-polymer        45  24 .
BBU      BBU '1-BROMOBUTANE                       ' non-polymer        14   5 .
BBX      BBX '1-BROMOETHANE                       ' non-polymer         8   3 .
BBZ      BBZ '2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METH' non-polymer        63  34 .
BC1      BC1 '3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLA' non-polymer        41  25 .
BC2      BC2 'MACBECIN                            ' non-polymer        82  40 .
BC3      BC3 '2-amino-7-(pyridin-3-ylmethyl)-3,5-d' non-polymer        29  18 .
BC6      BC6 '"(4E,8S,9R,10E,12S,13R,14S,16R)-13,2' non-polymer        78  36 .
BCA      BCA '4-HYDROXYBENZOYL COENZYME A         ' non-polymer        93  57 .
BCB      BCB 'BACTERIOCHLOROPHYLL B               ' non-polymer       138  66 .
BCC      BCC '(3S,6S,8aR)-6-amino-6-benzyl-5-oxooc' non-polymer        40  21 .
BC       BC  'BENZO[G]CHRYSENE                    ' non-polymer        43  25 .
BCD      BCD 'BETA-CYCLODEXTRIN                   ' non-polymer       147  77 .
BCE      BCE '(2Z)-N-biphenyl-4-yl-2-cyano-3-hydro' non-polymer        35  21 .
BCF      BCF '1-chloro-2,3,4,5,6-pentafluorobenzen' non-polymer        12  12 .
BCG      BCG '3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO' non-polymer        39  21 .
BCH      BCH '2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLE' non-polymer        32  12 .
BCL      BCL 'BACTERIOCHLOROPHYLL A               ' non-polymer       140  66 .
BCM      BCM 'BICYCLOMYCIN                        ' non-polymer        39  21 .
BCN      BCN 'BICINE                              ' non-polymer        23  11 .
BCO      BCO '.                                   ' non-polymer        91  53 .
BCP      BCP '2-BROMO-6-CHLORO-PURINE             ' non-polymer        13  11 .
BCQ      BCQ 'N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-' non-polymer        87  45 .
BCR      BCR 'BETA-CAROTENE                       ' non-polymer        96  40 .
BCS      BCS 'BENZYLCYSTEINE                      ' peptide            26  14 .
BCT      BCT 'BICARBONATE ION                     ' non-polymer         5   4 .
BCV      BCV 'D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-C' non-polymer        45  24 .
BCX      BCX 'BETA-3-CYSTEINE                     ' non-polymer        16   8 .
BCY      BCY 'CARBOXYAMINO[4.3.0]BICYCLO1,6-DIAZAN' non-polymer        29  14 .
BCZ      BCZ '"3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-G' non-polymer        50  23 .
BD0      BD0 '(1S,2R)-1-[(5-chloro-2,4-dihydroxyph' non-polymer        54  30 .
BD1      BD1 '3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIO' non-polymer        20  10 .
BD2      BD2 '3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-' non-polymer        61  35 .
BD3      BD3 'Nalpha-[(3-tert-butyl-1-methyl-1H-py' non-polymer        62  34 .
BD4      BD4 '6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROL' non-polymer        43  24 .
BD5      BD5 'N-[(benzyloxy)carbonyl]-D-tyrosyl-L-' non-polymer        80  46 .
BD6      BD6 'N-[(benzyloxy)carbonyl]-L-histidyl-N' non-polymer        85  48 .
BD7      BD7 'N-[(benzyloxy)carbonyl]-L-histidyl-N' non-polymer        82  46 .
BD8      BD8 'N-undecanoyl-L-histidyl-L-phenylalan' non-polymer       112  55 .
BD9      BD9 'N-undecanoyl-L-histidyl-L-histidyl-N' non-polymer       109  54 .
BDA      BDA '4-METHYLBENZYL-N-BIS[DAUNOMYCIN]    ' non-polymer       150  84 .
BDB      BDB '.                                   ' non-polymer        30  18 .
BDC      BDC 'BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETH' non-polymer       108  54 .
BDD      BDD 'BROMO-DODECANOL                     ' non-polymer        39  14 .
BDE      BDE 'N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYP' non-polymer        30  21 .
BDF      BDF 'BETA-D-FRUCTOPYRANOSE               ' non-polymer        24  12 .
BDG      BDG 'O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GL' pyranose           26  12 .
BDH      BDH 'L-BETA-ASPARTYLHISTIDINE            ' non-polymer        31  19 .
BDI      BDI '2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D' non-polymer        27  15 .
BDJ      BDJ '(2Z)-3-(3-chlorobenzyl)-2-imino-5,5-' non-polymer        31  17 .
BDK      BDK '"2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-' non-polymer        67  37 .
BDL      BDL 'N-(biphenyl-4-ylsulfonyl)-D-leucine ' non-polymer        44  24 .
BDM      BDM 'BRODIMOPRIM-4,6-DICARBOXYLATE       ' non-polymer        55  31 .
BDO      BDO '(2Z,5R)-3-(3-chlorobenzyl)-2-imino-5' non-polymer        40  20 .
BDP      BDP 'BETA-D-GLUCOPYRANURONIC ACID        ' pyranose           22  13 .
BDQ      BDQ '1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-i' non-polymer        60  32 .
BDR      BDR 'BETA-D-RIBOFURANOSYL                ' non-polymer        20  10 .
BDS      BDS '2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-' non-polymer        44  28 .
BDT      BDT '5-beta-DIHYDROTESTOSTERONE          ' non-polymer        51  21 .
BDU      BDU 'ME-A-9-N-(BIPHENYL-4-CARBONYL)-AMINO' non-polymer        65  36 .
BDV      BDV '1-butyl-3-(4-{[(2Z,4R)-2-imino-4-met' non-polymer        61  28 .
BDW      BDW '(4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexyle' non-polymer        88  39 .
BDX      BDX '(2E,5R)-5-(2-cyclohexylethyl)-5-(cyc' non-polymer        56  23 .
BDY      BDY 'N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R' non-polymer        66  36 .
BE1      BE1 'N-BROMOACETYL-AMINOETHYL PHOSPHATE  ' non-polymer        19  12 .
BE2      BE2 '2-AMINOBENZOIC ACID                 ' non-polymer        16  10 .
BE3      BE3 'N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCAR' non-polymer        88  50 .
BE4      BE4 '"(2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUORO' non-polymer        88  52 .
BE5      BE5 '"(2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUORO' non-polymer        88  52 .
BE6      BE6 '"(2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUORO' non-polymer        88  52 .
BE7      BE7 '(4-CARBOXYPHENYL)(CHLORO)MERCURY    ' non-polymer        15  11 .
BE8      BE8 '.                                   ' non-polymer        97  43 .
BEA      BEA '5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOT' non-polymer        21  13 .
BEB      BEB 'N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-' non-polymer        88  48 .
BEC      BEC '[5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3' non-polymer        89  46 .
BED      BED 'N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCAR' non-polymer        88  50 .
BEE      BEE 'N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZY' non-polymer       104  54 .
BEF      BEF 'BERYLLIUM TRIFLUORIDE ION           ' non-polymer         4   4 .
BEG      BEG '2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOI' non-polymer        87  47 .
BEH      BEH '"2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXAN' non-polymer        83  45 .
BEI      BEI 'N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[' non-polymer        96  46 .
BEJ      BEJ 'N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL' non-polymer       108  56 .
BEK      BEK '2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAM' non-polymer        20  15 .
BEL      BEL '2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMIN' non-polymer        41  27 .
BEM      BEM 'beta-D-mannuronic acid              ' pyranose           22  13 .
BEN      BEN 'BENZAMIDINE                         ' non-polymer        17   9 .
BEO      BEO 'BUTENOIC ACID                       ' non-polymer        11   6 .
BEP      BEP '1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYL' non-polymer        61  27 .
BEQ      BEQ '"N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(' non-polymer        62  24 .
BER      BER 'BERBERINE                           ' non-polymer        43  25 .
BES      BES '2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRY' non-polymer        45  22 .
BET      BET 'TRIMETHYL GLYCINE                   ' non-polymer        19   8 .
BEU      BEU 'N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDRO' non-polymer        31  15 .
BEW      BEW '1-hydroxy-2-sulfanylpyridinium      ' non-polymer        14   8 .
BEY      BEY '"(2S)-3-[(R)-[(1S)-1-amino-3-phenylp' non-polymer        48  25 .
BEZ      BEZ 'BENZOIC ACID                        ' non-polymer        14   9 .
BF2      BF2 'BERYLLIUM DIFLUORIDE                ' non-polymer         3   3 .
BF4      BF4 'BERYLLIUM TETRAFLUORIDE ION         ' non-polymer         5   5 .
BF5      BF5 '"(3S)-10-(4-AMINOPIPERAZIN-1-YL)-9-F' non-polymer        46  26 .
BFA      BFA '9-BROMO-PHENAZINE-1-CARBOXYLIC ACID ' non-polymer        40  23 .
BFB      BFB 'N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIM' non-polymer        40  20 .
BFC      BFC '(R)-3-HYDROXYTETRADECANAL           ' non-polymer        44  16 .
BFD      BFD 'ASPARTATE BERYLLIUM TRIFLUORIDE     ' peptide            18  13 .
BFF      BFF '3-[(4-bromo-2,6-difluorobenzyl)oxy]-' non-polymer        56  32 .
BFH      BFH '1-(carboxymethyl)-1H-benzo[g]indole-' non-polymer        29  20 .
BFI      BFI '"2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-' non-polymer        39  28 .
BFL      BFL '.                                   ' non-polymer        30  17 .
BFN      BFN '"5-(acetylamino)-2,6-anhydro-3,5,9-t' non-polymer        51  29 .
BFQ      BFQ 'IBANDRONATE                         ' non-polymer        42  19 .
BFS      BFS 'N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO ' non-polymer        33  20 .
BFT      BFT 'S-BENZOYLTHIAMINE O-MONOPHOSPHATE   ' non-polymer        54  31 .
BFU      BFU '1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLU' non-polymer        43  26 .
BFX      BFX '4-{4-[3-(2-bromo-5-fluorophenoxy)pro' non-polymer        69  38 .
BG1      BG1 'O-[(2S)-2-{methyl[(methylamino)sulfo' peptide            40  20 .
BG3      BG3 '3-METHYL-5-SULFO-PYRROLIDINE-2-CARBO' non-polymer        23  13 .
BG4      BG4 '5-(HYDROXY-METHYL-AMINO)-3-METHYL-PY' non-polymer        25  12 .
BG5      BG5 '5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-' non-polymer        22  11 .
BG6      BG6 'BETA-D-GLUCOSE-6-PHOSPHATE          ' non-polymer        27  16 .
BGC      BGC 'BETA-D-GLUCOSE                      ' pyranose           24  12 .
BGD      BGD 'N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DI' non-polymer        87  54 .
BGF      BGF '2,5-BIS(4-GUANYLPHENYL)FURAN        ' non-polymer        41  23 .
BGG      BGG 'CARBONIC ACID MONOBENZYL ESTER      ' non-polymer        19  11 .
BGL      BGL 'B-2-OCTYLGLUCOSIDE                  ' pyranose           48  20 .
BGM      BGM '8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHO' DNA                35  24 .
BGN      BGN 'N-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRA' non-polymer        36  17 .
BGP      BGP 'BETA-GALACTOSE-6-PHOSPHATE          ' pyranose           27  16 .
BGS      BGS 'BETA-D-GLUCOPYRANOSYLSULFONYLETHANE ' pyranose           32  16 .
BGT      BGT 'TERT-BUTYL D-ALPHA-GLUTAMINATE      ' non-polymer        32  14 .
BGU      BGU '2,6-diamino-1,7-dihydro-8H-imidazo[4' non-polymer        24  16 .
BGX      BGX '4-METHYL-PYRROLINE-5-CARBOXYLIC ACID' non-polymer        17   9 .
BH0      BH0 '3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HY' non-polymer        73  43 .
BH1      BH1 'BACTERIOPHEOPHYTIN                  ' non-polymer       143  65 .
BH7      BH7 'E-AMINO BIOTINYL CAPROIC ACID       ' non-polymer        50  24 .
BHA      BHA '2-HYDROXY-4-AMINOBENZOIC ACID       ' non-polymer        17  11 .
BHB      BHB '2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLS' non-polymer        39  20 .
BHC      BHC 'BENZENE HEXACARBOXYLIC ACID         ' non-polymer        24  24 .
BHD      BHD 'BETA-HYDROXYASPARTIC ACID           ' peptide            15  10 .
BHE      BHE 'octyl 2-O-(6-deoxy-alpha-L-galactopy' non-polymer        68  30 .
BHF      BHF '2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE   ' non-polymer        33  21 .
BHG      BHG '2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDR' pyranose           42  18 .
BHH      BHH 'N-BUTYL-N'-HYDROXYGUANIDINE         ' non-polymer        22   9 .
BHI      BHI '4-BROMO-3-HYDROXY-3-METHYL BUTYL DIP' non-polymer        26  16 .
BHK      BHK '(2R)-2-benzyl-5-hydroxy-4-oxopentano' non-polymer        29  16 .
BHL      BHL '6-BROMOHEXAN-1-OL                   ' non-polymer        21   8 .
BHM      BHM '(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-' non-polymer        31  21 .
BHO      BHO 'BENZHYDROXAMIC ACID                 ' non-polymer        17  10 .
BHP      BHP '(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHEN' non-polymer        72  36 .
BHQ      BHQ '2,5-DITERT-BUTYLBENZENE-1,4-DIOL    ' non-polymer        38  16 .
BHS      BHS '6S-5,6,7,8-TETRAHYDROBIOPTERIN      ' non-polymer        32  17 .
BHT      BHT 'N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PH' non-polymer        82  52 .
BHX      BHX '(2S)-2-{[(S)-(2-carboxyethyl)(hydrox' non-polymer        30  18 .
BHY      BHY 'N,N'-[biphenyl-4,4'-diyldi(2R)propan' non-polymer        56  28 .
BI1      BI1 '3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-IN' non-polymer        55  31 .
BI2      BI2 '3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-ME' non-polymer        59  33 .
BI3      BI3 '3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-' non-polymer        49  29 .
BI4      BI4 '3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLP' non-polymer        59  33 .
BI5      BI5 '4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZ' non-polymer        39  23 .
BI6      BI6 '(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6' non-polymer        70  36 .
BI7      BI7 '3-[(3AS,4R,8AS,8BR)-4-[5-(5-CHLORO-2' non-polymer        59  31 .
BI8      BI8 '3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-' non-polymer        52  30 .
BI9      BI9 '2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOL' non-polymer        58  33 .
BIA      BIA '"1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{' non-polymer        51  31 .
BIB      BIB 'BETA-AMINO ISOBUTYRATE              ' non-polymer        15   7 .
BIC      BIC '3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0' non-polymer        39  20 .
BID      BID 'BISTRAMIDE A                        ' non-polymer       118  50 .
BIE      BIE '(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL' non-polymer        28  19 .
BIF      BIF '(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PR' peptide            32  18 .
BIG      BIG '(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d' non-polymer        48  23 .
BIH      BIH 'NAPHTHALENE-2,6-DISULFONIC ACID     ' non-polymer        26  18 .
BII      BII '2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4' non-polymer        69  37 .
BIJ      BIJ '7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-4' non-polymer        63  35 .
BIK      BIK '3,7-DIHYDROXY-2-NAPHTHOIC ACID      ' non-polymer        22  15 .
BIL      BIL '(3R,4S)-3-amino-4-methylhexanoic aci' non-polymer        24  10 .
BIM      BIM 'BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE ' non-polymer        74  41 .
BIN      BIN '2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-' non-polymer        47  28 .
BIO      BIO 'BIOPTERIN                           ' non-polymer        28  17 .
BIP      BIP '2-BENZYL-3-IODOPROPANOIC ACID       ' non-polymer        23  13 .
BIQ      BIQ '"BENZYL [12-(2-AMINO-2-OXOETHYL)-4-N' non-polymer        84  48 .
BIR      BIR '"N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPH' non-polymer        55  29 .
BIS      BIS '1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOS' non-polymer        60  39 .
BIT      BIT '(-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HY' non-polymer        38  22 .
BIU      BIU '5-bromo-L-isoleucine                ' peptide            21  10 .
BIV      BIV '"21-NOR-9,10-SECOCHOLESTA-5,7,10(19)' non-polymer        90  36 .
BIW      BIW '"1-[2-(4-carboxypiperidin-1-yl)-2-ox' non-polymer        63  35 .
BIX      BIX '"(2S)-2-{[(S)-[(3S)-3-amino-3-carbox' non-polymer        35  20 .
BIY      BIY '(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4' non-polymer        23  14 .
BIZ      BIZ 'BIZELESIN                           ' non-polymer        94  56 .
BJ1      BJ1 '"(1R,2S)-1-[(1S)-1,2-dihydroxyethyl]' non-polymer        43  22 .
BJC      BJC '(1R,3S)-N-[(1S,2R)-1-benzyl-2-hydrox' non-polymer        92  41 .
BJH      BJH '1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDR' non-polymer        32  19 .
BJI      BJI '1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)' non-polymer        31  18 .
BJM      BJM '(1S,3S,5S)-2-{(2S)-2-amino-2-[(1R,3S' non-polymer        48  23 .
BJP      BJP '(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYP' non-polymer        41  24 .
BJZ      BJZ '"6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5' non-polymer        55  37 .
BK1      BK1 '1-(1-methylethyl)-3-(naphthalen-1-yl' non-polymer        43  24 .
BK2      BK2 '1-tert-butyl-3-naphthalen-2-yl-1H-py' non-polymer        43  24 .
BK3      BK3 '3-(naphthalen-1-ylmethyl)-1-(piperid' non-polymer        52  28 .
BL0      BL0 '1-[5-(dimethylamino)-1,3,4-thiadiazo' non-polymer        23  13 .
BL1      BL1 '4-chloro-N-[(2S)-2-methyl-2,3-dihydr' non-polymer        40  24 .
BL3      BL3 '.                                   ' non-polymer        75  43 .
BL4      BL4 '(3aS)-3a-hydroxy-5-methyl-1-phenyl-1' non-polymer        38  22 .
BL5      BL5 '.                                   ' non-polymer       112  50 .
BL6      BL6 '(3aS)-3a-hydroxy-7-methyl-1-phenyl-1' non-polymer        38  22 .
BL7      BL7 '(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-t' non-polymer        35  21 .
BLA      BLA 'BILIVERDINE IX ALPHA                ' non-polymer        75  43 .
BLB      BLB 'BLEOMYCIN B2                        ' non-polymer       183  98 .
BLE      BLE 'LEUCINE BORONIC ACID                ' non-polymer        23   9 .
BLG      BLG '4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMIN' non-polymer        65  35 .
BLI      BLI '"4-OXO-2-PHENYLMETHANESULFONYL-OCTAH' non-polymer        66  34 .
BLL      BLL '"(2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BI' non-polymer        92  48 .
BLM      BLM 'BLEOMYCIN A2                        ' non-polymer       181  96 .
BLN      BLN '"MORPHOLINE-4-CARBOXYLIC ACID [1S-(2' non-polymer        59  29 .
BLO      BLO '1-(4-{[(3R)-3-AMINO-5-{[(Z)-AMINO(IM' non-polymer        54  30 .
BLP      BLP '"(5-HYDROXY-6-METHYL-4-((2-(2-(2-NIT' non-polymer        50  32 .
BLQ      BLQ '"(3E)-3-({4-[(2-carboxyethyl)carbamo' non-polymer        39  26 .
BLS      BLS 'BLASTICIDIN S                       ' non-polymer        55  30 .
BLT      BLT '"1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDR' non-polymer        39  20 .
BLV      BLV 'BILIVERDIN IX GAMMA CHROMOPHORE     ' non-polymer        75  43 .
BLY      BLY 'LYSINE BORONIC ACID                 ' non-polymer        26  10 .
BLZ      BLZ '5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZO' non-polymer        51  31 .
BM1      BM1 '(R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYD' non-polymer        35  20 .
BM2      BM2 '"S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMIN' non-polymer        67  35 .
BM3      BM3 '2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-MANN' non-polymer        30  15 .
BM4      BM4 '3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3' non-polymer        99  41 .
BM5      BM5 '"(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DI' non-polymer        38  23 .
BM6      BM6 '"4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-T' non-polymer        55  28 .
BM9      BM9 '[S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[' non-polymer        71  37 .
BMA      BMA 'BETA-D-MANNOSE                      ' pyranose           24  12 .
BMD      BMD 'BUTYRAMIDE                          ' non-polymer        15   6 .
BME      BME 'BETA-MERCAPTOETHANOL                ' non-polymer        10   4 .
BMG      BMG '(4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1' non-polymer        44  24 .
BMH      BMH '"5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-' non-polymer        46  25 .
BMI      BMI '3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-' non-polymer        49  30 .
BML      BML '4-BROMOPHENOL                       ' non-polymer        13   8 .
BMM      BMM 'BROMOMETHANE                        ' non-polymer         5   2 .
BMO      BMO 'N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAM' non-polymer        68  37 .
BMP      BMP '6-HYDROXYURIDINE-5'-PHOSPHATE       ' RNA                33  22 .
BMQ      BMQ '.                                   ' non-polymer        33  22 .
BMS      BMS '.                                   ' non-polymer        59  34 .
BMT      BMT '4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHY' M-peptide          32  14 .
BMU      BMU '1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-' non-polymer        40  21 .
BMV      BMV '3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-' non-polymer        57  34 .
BMY      BMY 'BALHIMYCIN                          ' non-polymer       176 102 .
BMZ      BMZ '2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZO' non-polymer        32  19 .
BN1      BN1 '"(S)-2-AMINO-3-[3-HYDROXY-5-(2-METHY' non-polymer        27  18 .
BN2      BN2 '"7-[2,6-DICHLORO-4-({[(2-CHLOROBENZO' non-polymer        51  31 .
BN3      BN3 '"4-[3-CHLORO-4-({[(2,4-DICHLOROBENZO' non-polymer        42  28 .
BN4      BN4 '"4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]' non-polymer        48  29 .
BN5      BN5 '"5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]' non-polymer        48  29 .
BN6      BN6 '"(2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-B' non-polymer       101  50 .
BNA      BNA 'BIS-(NAPHTHYL-1-METHYL) ACETIC ACID ' non-polymer        45  26 .
BND      BND 'ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC ' non-polymer        55  30 .
BNE      BNE '2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-' non-polymer        68  35 .
BNF      BNF 'N-BENZYLFORMAMIDE                   ' non-polymer        19  10 .
BNG      BNG 'B-NONYLGLUCOSIDE                    ' pyranose           51  21 .
BNH      BNH '"[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCA' non-polymer       100  50 .
BNI      BNI '"5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMI' non-polymer        45  25 .
BNL      BNL 'BIPHENYL                            ' non-polymer        22  12 .
BNN      BNN 'ACETYL-P-AMIDINOPHENYLALANINE       ' non-polymer        32  18 .
BNO      BNO 'NORLEUCINE BORONIC ACID             ' non-polymer        23   9 .
BNP      BNP '(3R,4R)-4-{4-[3-(BENZYLOXY)PROPOXY]P' non-polymer        71  36 .
BNR      BNR 'BIS-DAUNORUBICIN                    ' non-polymer       150  84 .
BNS      BNS 'benzenesulfonic acid                ' non-polymer        16  10 .
BNT      BNT '2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZ' non-polymer        24  14 .
BNZ      BNZ 'BENZENE                             ' non-polymer        12   6 .
BO1      BO1 'N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-G' non-polymer        40  22 .
BO2      BO2 'N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLB' non-polymer        53  28 .
BO3      BO3 'BORIC ACID                          ' non-polymer         7   4 .
BO4      BO4 'BORATE ION                          ' non-polymer         9   5 .
BO8      BO8 '(D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHY' non-polymer        37  18 .
BO9      BO9 'N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2' non-polymer        81  41 .
BOA      BOA '2-BROMO-6-HYDROXY-PURINE            ' non-polymer        14  11 .
BOB      BOB '"(S)-2-amino-5-((R)-1-(carboxymethyl' non-polymer        64  31 .
BOC      BOC 'TERT-BUTYL HYDROGEN CARBONATE       ' non-polymer        18   8 .
BOE      BOE '.                                   ' DNA                55  32 .
BOG      BOG 'B-OCTYLGLUCOSIDE                    ' pyranose           48  20 .
BOM      BOM 'HEXADECA-10,12-DIEN-1-OL            ' non-polymer        47  17 .
BON      BON 'N-[4-(4,4,5,5-tetramethyl-1,3,2-diox' non-polymer        39  20 .
BOP      BOP '1-BROMO-4-METHOXYBENZENE            ' non-polymer        16   9 .
BOR      BOR '(1R)-1-AMINO-4-{[(E)-AMINO(IMINO)MET' non-polymer        27  12 .
BOS      BOS 'N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAP' non-polymer        32  20 .
BOW      BOW 'octyl sulfamate                     ' non-polymer        32  13 .
BOZ      BOZ 'BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANO' non-polymer        45  27 .
BP1      BP1 '6-BROMO-7H-PURINE                   ' non-polymer        13  10 .
BP2      BP2 '(+)-BORNYL DIPHOSPHATE              ' non-polymer        36  19 .
BP3      BP3 '2'-CHLORO-BIPHENYL-2,3-DIOL         ' non-polymer        24  15 .
BP4      BP4 'biphenyl-4-ylacetic acid            ' non-polymer        27  16 .
BP5      BP5 '3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE   ' non-polymer        30  18 .
BP6      BP6 '2',6'-DICHLORO-BIPHENYL-2,6-DIOL    ' non-polymer        24  16 .
BP7      BP7 '1,1'-BIPHENYL-3,4-DIOL              ' non-polymer        24  14 .
BPA      BPA '7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHY' non-polymer        39  23 .
BPB      BPB 'BACTERIOPHEOPHYTIN B                ' non-polymer       141  65 .
BPD      BPD 'N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZ' non-polymer        40  30 .
BPE      BPE '(2S)-2-AMINO-3-[(3-AMINOPROPYL)SULFA' non-polymer        26  10 .
BPF      BPF '2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}F' non-polymer        49  27 .
BPG      BPG '9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE ' non-polymer        39  22 .
BPH      BPH 'BACTERIOPHEOPHYTIN A                ' non-polymer       141  65 .
BPI      BPI '(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHEN' non-polymer        37  21 .
BPJ      BPJ '(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHEN' non-polymer        37  21 .
BPL      BPL '1-BENZO[A]PYREN-6-YL-3-METHYL-UREA  ' non-polymer        41  25 .
BPM      BPM '4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOS' non-polymer        33  23 .
BPN      BPN 'PARANITROBENZYL ALCOHOL             ' non-polymer        18  11 .
BPO      BPO '3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-B' non-polymer        63  35 .
BPP      BPP '(4-BENZYL-PIPERIDIN-1-YL)-(5-AMIDINO' non-polymer        52  27 .
BPQ      BPQ '"tert-butyl [(2-amino-4-oxo-4,7-dihy' non-polymer        37  20 .
BPR      BPR '(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-' non-polymer        32  15 .
BPS      BPS '.                                   ' non-polymer        25  15 .
BPT      BPT 'BIS(TRANS-PLATINUM ETHYLENEDIAMINE D' non-polymer        38  14 .
BPU      BPU '7-bromopyrrolo[1,2-a]quinoxalin-4(5H' non-polymer        22  15 .
BPV      BPV 'Bromopyruvate                       ' non-polymer         9   7 .
BPX      BPX '(2R)-4,4-dihydroxy-5-nitro-2-(phenyl' non-polymer        33  19 .
BPY      BPY 'BIPHENYL-2,3-DIOL                   ' non-polymer        24  14 .
BPZ      BPZ '4,4'-cyclohexane-1,1-diyldiphenol   ' non-polymer        40  20 .
BQM      BQM '3-({4-[(1E)-3-morpholin-4-yl-3-oxopr' non-polymer        50  32 .
BQN      BQN '4-{(2E)-3-[4-{[2-(pyridin-3-ylmethox' non-polymer        61  39 .
BR3      BR3 '(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-Y' non-polymer        29  15 .
BR4      BR4 '6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMI' non-polymer        61  29 .
BR5      BR5 '2-ETHOXYETHYLPHOSPHINATE            ' non-polymer        18   8 .
BR6      BR6 '(E)-4-((4-bromophenylimino)methyl)be' non-polymer        30  18 .
BRA      BRA '"9-[4-(n,n-dimethylamino)phenylamino' non-polymer        87  44 .
BRB      BRB 'PARA-BROMOBENZYL ALCOHOL            ' non-polymer        16   9 .
BRC      BRC '12-BROMODODECANOIC ACID             ' non-polymer        37  15 .
BR       BR  'BROMIDE ION                         ' non-polymer         1   1 .
BRD      BRD '1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE' non-polymer        31  17 .
BRE      BRE '2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QU' non-polymer        42  27 .
BRF      BRF '.                                   ' non-polymer        42  28 .
BRG      BRG '8-BROMOGUANINE                      ' non-polymer        16  12 .
BRH      BRH '(S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISO' non-polymer        19  13 .
BRJ      BRJ '2-BROMOETHANOL                      ' non-polymer         9   4 .
BRK      BRK '{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IM' non-polymer        42  25 .
BRL      BRL '"2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(M' non-polymer        44  25 .
BRN      BRN 'BERENIL                             ' non-polymer        36  21 .
BRP      BRP '2-BROMO-2-PROPENE-1-OL              ' non-polymer        10   5 .
BRQ      BRQ '{[4-AMINO-2-(3-CHLOROANILINO)-1,3-TH' non-polymer        35  23 .
BRR      BRR '(2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL' non-polymer        27  13 .
BRS      BRS '2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DI' non-polymer        33  22 .
BRT      BRT '5-BROMONICOTINAMIDE                 ' non-polymer        15  10 .
BRU      BRU '5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSP' DNA                31  21 .
BRV      BRV '5-amino-2,4,6-tribromobenzene-1,3-di' non-polymer        18  16 .
BRW      BRW '6-BROMOINDIRUBIN-3'-OXIME           ' non-polymer        32  22 .
BRX      BRX 'BROMAMPHENICOL                      ' non-polymer        32  20 .
BRY      BRY '.                                   ' non-polymer        30  21 .
BRZ      BRZ '6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1' non-polymer        45  23 .
BS1      BS1 '(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[' non-polymer        56  26 .
BS2      BS2 '(3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DI' non-polymer        63  31 .
BSA      BSA '2-(BENZOYLAMINO)ETHANESULFONIC ACID ' non-polymer        26  15 .
BSB      BSB 'N-BENZYL-4-SULFAMOYL-BENZAMIDE      ' non-polymer        34  20 .
BSC      BSC '(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFI' non-polymer        33  14 .
BSD      BSD '"N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3' non-polymer        89  47 .
BSE      BSE 'BETA-3-SERINE                       ' non-polymer        16   8 .
BSF      BSF '{[(benzylsulfonyl)amino]methyl}boron' non-polymer        27  15 .
BSG      BSG '4-({[(dihydroxyboranyl)methyl]sulfam' non-polymer        29  18 .
BSH      BSH '3-[(2R)-2-[(benzylsulfonyl)amino]-2-' non-polymer        42  25 .
BSI      BSI '2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETR' non-polymer        46  28 .
BSJ      BSJ '.                                   ' non-polymer       132  74 .
BSM      BSM '5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-E' non-polymer        45  27 .
BSO      BSO 'BIOTIN-D-SULFOXIDE                  ' non-polymer        32  17 .
BSP      BSP '.                                   ' non-polymer        44  36 .
BST      BST '"6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHY' non-polymer        58  31 .
BSU      BSU '1,3-DIPHENYLUREA                    ' non-polymer        28  16 .
BT1      BT1 '{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHE' non-polymer        74  39 .
BT2      BT2 '"3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BEN' non-polymer        76  38 .
BT3      BT3 '"3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BEN' non-polymer        76  39 .
BT5      BT5 'BIOTINYL-5-AMP                      ' non-polymer        65  38 .
BT6      BT6 'benzenethiol                        ' non-polymer        13   7 .
BTB      BTB '2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HY' non-polymer        33  14 .
BTD      BTD '5-BROMOTHIENYLDEOXYURIDINE          ' non-polymer        35  22 .
BTF      BTF '.                                   ' non-polymer        66  39 .
BTH      BTH '"4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO' non-polymer        71  41 .
BTI      BTI '5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]I' non-polymer        31  15 .
BTK      BTK 'N~6~-butanoyl-L-lysine              ' peptide            34  15 .
BTL      BTL 'BETAINE ALDEHYDE                    ' non-polymer        19   7 .
BTM      BTM 'N-benzyl-N,N-diethylethanaminium    ' non-polymer        36  14 .
BTN      BTN 'BIOTIN                              ' non-polymer        31  16 .
BTO      BTO '4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL' non-polymer        30  20 .
BTP      BTP '2-THIOMETHYL-3-PHENYLPROPANOIC ACID ' non-polymer        24  13 .
BTQ      BTQ 'EPI-BIOTIN                          ' non-polymer        31  16 .
BTR      BTR '6-BROMO-TRYPTOPHAN                  ' peptide            26  16 .
BTS      BTS '3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESU' non-polymer        28  17 .
BTT      BTT 'BENZENE-1,2,4,5-TETROL              ' non-polymer        16  10 .
BTW      BTW '(2S,3R)-2-benzyl-3-sulfanylbutanoic ' non-polymer        27  14 .
BTX      BTX '"((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-' non-polymer        66  37 .
BTY      BTY '4-amino-7-methylpyrazolo[1,5-a][1,3,' non-polymer        19  12 .
BTZ      BTZ 'N-(4-{[amino(imino)methyl]amino}buty' non-polymer        37  21 .
BU1      BU1 '1,4-BUTANEDIOL                      ' non-polymer        16   6 .
BU2      BU2 '1,3-BUTANEDIOL                      ' non-polymer        16   6 .
BU3      BU3 '(R,R)-2,3-BUTANEDIOL                ' non-polymer        16   6 .
BU4      BU4 '(3R)-butane-1,3-diol                ' non-polymer        16   6 .
BUA      BUA 'BUTANOIC ACID                       ' non-polymer        13   6 .
BUB      BUB '1-BUTANE BORONIC ACID               ' non-polymer        18   7 .
BUC      BUC 'S,S-BUTYLTHIOCYSTEINE               ' peptide            26  12 .
BUG      BUG '3-methyl-L-valine                   ' non-polymer        21   9 .
BUI      BUI '(3R)-3-{[(TETRADECYLAMINO)CARBONYL]A' non-polymer        73  28 .
BUJ      BUJ '(3R)-3-(hexadecanoylamino)-4-(trimet' non-polymer        74  28 .
BUK      BUK 'N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]' non-polymer        85  43 .
BUL      BUL 'BULGECIN A                          ' non-polymer        64  35 .
BUM      BUM '2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE   ' non-polymer        26  10 .
BUQ      BUQ '4-HYDROXY-2-BUTANONE                ' non-polymer        14   6 .
BV1      BV1 '.                                   ' non-polymer       152  80 .
BV2      BV2 '1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACT' non-polymer       163  84 .
BV3      BV3 '1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALAC' non-polymer       195 104 .
BV4      BV4 '1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(' non-polymer       249 126 .
BVA      BVA 'TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO' non-polymer        23  14 .
BVC      BVC '1-THIEN-3-YLMETHANAMINE             ' non-polymer        14   7 .
BVD      BVD '5-BROMOVINYLDEOXYURIDINE            ' non-polymer        32  19 .
BVF      BVF '4-METHYLPYRIDIN-2-AMINE             ' non-polymer        16   8 .
BVG      BVG '1H-IMIDAZOL-2-YLMETHANOL            ' non-polymer        13   7 .
BVL      BVL '(2E)-1-[2-hydroxy-4-methoxy-5-(3-met' non-polymer        47  25 .
BVP      BVP '(E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE' non-polymer        35  23 .
BW2      BW2 '"N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQU' non-polymer        51  34 .
BWD      BWD '2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIH' non-polymer        22  15 .
BWP      BWP '(2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMID' non-polymer        53  29 .
BX1      BX1 '1-[3-amino-6-(3,4,5-trimethoxyphenyl' non-polymer        51  28 .
BX2      BX2 '(5S)-2-amino-5-(2,6-diethylpyridin-4' non-polymer        54  30 .
BX3      BX3 '"(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERID' non-polymer        63  34 .
BXB      BXB 'N-(1,3-benzodioxol-5-ylmethyl)-2,6-d' non-polymer        32  21 .
BXC      BXC '(3R,7R,11R)-3,7,11,15-tetramethylhex' non-polymer        80  30 .
BXO      BXO '(1Z)-butanal oxime                  ' non-polymer        15   6 .
BXP      BXP 'BETA-D-XYLOBIOPYRANOSE              ' non-polymer        36  18 .
BXX      BXX 'beta-D-arabinofuranose              ' non-polymer        20  10 .
BXY      BXY 'alpha-D-arabinofuranose             ' non-polymer        20  10 .
BXZ      BXZ '4-bromo-6-(6-hydroxy-1,2-benzisoxazo' non-polymer        27  19 .
BY6      BY6 '.                                   ' non-polymer       199 103 .
BYA      BYA 'N-(phenylcarbonyl)-beta-alanine     ' non-polymer        24  14 .
BYE      BYE '1-(2-methylphenyl)-6-[(2S)-3,3,3-tri' non-polymer        39  24 .
BYG      BYG 'L-gamma-glutamyl-S-{(4R)-4-[(6-hydro' non-polymer        70  40 .
BYM      BYM '(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXO' non-polymer        24  19 .
BYP      BYP '(2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMID' non-polymer        53  29 .
BYS      BYS '2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZ' non-polymer        41  25 .
BZ1      BZ1 '(+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METH' non-polymer        44  23 .
BZ2      BZ2 '1-benzofuran-2-carboxylic acid      ' non-polymer        17  12 .
BZ3      BZ3 '5-methoxy-1H-indole                 ' non-polymer        20  11 .
BZ9      BZ9 'N-[3-methyl-4-({3-[2-(methylamino)py' non-polymer        59  36 .
BZA      BZA '1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHR' non-polymer        37  21 .
BZB      BZB 'BENZO[B]THIOPHENE-2-BORONIC ACID    ' non-polymer        19  12 .
BZC      BZC '.                                   ' non-polymer        33  20 .
BZD      BZD '.                                   ' non-polymer        41  23 .
BZF      BZF 'BENZOFURAN                          ' non-polymer        15   9 .
BZG      BZG '"6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPH' non-polymer        48  30 .
BZH      BZH '5-[(2-AMINO-1H-BENZIMIDAZOL-6-YL)AMI' non-polymer        32  19 .
BZI      BZI 'BENZIMIDAZOLE                       ' non-polymer        15   9 .
BZM      BZM 'BENZOIC ACID PHENYLMETHYLESTER      ' non-polymer        28  16 .
BZN      BZN 'N-({(3R,4R)-4-[(benzyloxy)methyl]pyr' non-polymer        61  29 .
BZP      BZP 'N1-CARBOXYPIPERAZINE                ' non-polymer        19   9 .
BZQ      BZQ 'DIPHENYLMETHANONE                   ' non-polymer        24  14 .
BZR      BZR '1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHR' non-polymer        37  21 .
BZS      BZS 'L-BENZYLSUCCINIC ACID               ' non-polymer        25  15 .
BZT      BZT '3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-B' non-polymer        73  38 .
BZU      BZU '"(4R)-2-(2-ethoxyethyl)-4-(ethylamin' non-polymer        44  23 .
BZZ      BZZ 'BENZYLHYDRAZINE                     ' non-polymer        19   9 .
C00      C00 '2-(4-hydroxybiphenyl-3-yl)-4-methyl-' non-polymer        40  25 .
C01      C01 '(2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3' non-polymer        61  31 .
C02      C02 '4-(5-BENZENESULFONYLAMINO-1-METHYL-1' non-polymer        51  30 .
C03      C03 '"(2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1' non-polymer        61  40 .
C08      C08 'difluoro(5-{2-[(5-octyl-1H-pyrrol-2-' non-polymer        59  29 .
C0E      C0E '3-fluoro-6-(4-fluorophenyl)-2-hydrox' non-polymer        25  18 .
C0M      C0M 'N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPA' non-polymer        62  34 .
C0P      C0P '4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHO' non-polymer        42  25 .
C0R      C0R 'CORTICOSTERONE                      ' non-polymer        55  25 .
C0Y      C0Y '(3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHO' non-polymer        40  19 .
C10      C10 'HEXAETHYLENE GLYCOL MONODECYL ETHER ' non-polymer        75  29 .
C11      C11 'UNDECYL-PHOSPHINIC ACID BUTYL ESTER ' non-polymer        51  18 .
C12      C12 '"2-(1-AMINO-2-HYDROXYPROPYL)-4-(4-HY' non-polymer        40  22 .
C14      C14 'TETRADECANE                         ' non-polymer        44  14 .
C15      C15 'N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-P' non-polymer        60  22 .
C16      C16 '4-(4-methyl-1,3-dioxo-1,3-dihydro-2H' non-polymer        30  20 .
C17      C17 '7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHR' non-polymer        33  22 .
C18      C18 '7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAM' non-polymer        39  23 .
C19      C19 '3-(2-aminoquinazolin-6-yl)-1-(3,3-di' non-polymer        53  30 .
C1A      C1A '1,4-BIS-{[N-(1-IMINO-1GUANIDINO-METH' non-polymer        46  24 .
C1B      C1B '.                                   ' non-polymer        61  39 .
C1C      C1C '.                                   ' non-polymer        38  26 .
C1D      C1D '1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL' non-polymer        61  31 .
C1E      C1E '(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-p' non-polymer        25  17 .
C1F      C1F '3-CARBOXY-4-METHYL-5-PROPYL-2-FURANP' non-polymer        31  17 .
C1M      C1M '1-(4-CHLOROPHENYL)-1H-TETRAZOLE     ' non-polymer        17  12 .
C1N      C1N 'N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-[' non-polymer        80  40 .
C1O      C1O 'CU-O LINKAGE                        ' non-polymer         2   2 .
C1P      C1P 'N~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-[' non-polymer        74  37 .
C1Q      C1Q 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyr' non-polymer       121  50 .
C1R      C1R '4-PIPERIDINEBUTYRATE                ' non-polymer        28  11 .
C1T      C1T 'S-[(1S,6R)-3,6-dihydroxy-4-methyl-2,' peptide            30  18 .
C1X      C1X '"(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL' peptide            48  25 .
C20      C20 'ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHO' non-polymer        92  41 .
C21      C21 'THIOPHENE-2-CARBOXYLIC ACID         ' non-polymer        11   8 .
C24      C24 '"3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO' non-polymer        66  37 .
C26      C26 '(2R)-2-ETHYL-1-HEXANESULFONIC ACID  ' non-polymer        31  13 .
C27      C27 '"(6R)-2-amino-6-[2-(3'-methoxybiphen' non-polymer        51  26 .
C28      C28 'N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MO' non-polymer        58  32 .
C2A      C2A '1-(3-CHLOROPHENYL)METHANAMINE       ' non-polymer        17   9 .
C2B      C2B '1-(4-CHLOROPHENYL)METHANAMINE       ' non-polymer        17   9 .
C2C      C2C 'CU-CL-CU LINKAGE                    ' non-polymer         3   3 .
C2D      C2D '6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHI' non-polymer        62  31 .
C2E      C2E '.                                   ' non-polymer        68  46 .
C2F      C2F '5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACI' non-polymer        56  33 .
C2G      C2G '.                                   ' non-polymer        49  30 .
C2L      C2L '.                                   ' RNA                46  26 .
C2M      C2M '5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIM' non-polymer        27  17 .
C2N      C2N 'B-CHLORO-D-ALANINE                  ' non-polymer        13   7 .
C2O      C2O 'CU-O-CU LINKAGE                     ' non-polymer         3   3 .
C2P      C2P 'CYTIDINE-2'-MONOPHOSPHATE           ' non-polymer        33  21 .
C2R      C2R '5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBO' non-polymer        33  22 .
C2S      C2S 'CYTIDINE-5'-DITHIOPHOSPHORATE       ' non-polymer        34  20 .
C2U      C2U '3,5-dichloro-2-hydroxybenzoic acid  ' non-polymer        15  12 .
C2X      C2X '.                                   ' non-polymer       173 106 .
C31      C31 '.                                   ' non-polymer        44  25 .
C33      C33 '2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVIT' non-polymer        83  33 .
C34      C34 'N4-METHYL-2'-DEOXY-CYTIDINE-5'-MONOP' DNA                35  21 .
C35      C35 'N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1' non-polymer       106  55 .
C36      C36 '5-METHYL-5-FLUORO-2'-DEOXY-CYTIDINE-' non-polymer        38  23 .
C37      C37 '5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPH' non-polymer        32  21 .
C38      C38 '5-IODO-2'-DEOXY-CYTIDINE-5'-MONOPHOS' non-polymer        32  21 .
C39      C39 'N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMI' non-polymer        82  35 .
C3A      C3A '"ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-' non-polymer        76  41 .
C3B      C3B '4-amino-1-beta-D-glucopyranosylpyrim' non-polymer        34  19 .
C3D      C3D '(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-' non-polymer        62  31 .
C3M      C3M 'N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENY' non-polymer        48  26 .
C3O      C3O '2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVI' non-polymer        84  34 .
C3P      C3P 'CYTIDINE-3'-MONOPHOSPHATE           ' non-polymer        33  21 .
C3Q      C3Q 'N-[8-({[5-(dimethylamino)naphthalen-' non-polymer        89  40 .
C3S      C3S 'CHOLEST-5-EN-3-YL HYDROGEN SULFATE  ' non-polymer        78  32 .
C3X      C3X '2,3-EPOXYPROPYL-BETA-D-XYLOSIDE     ' pyranose           28  14 .
C3Y      C3Y 'S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ET' peptide            23  12 .
C40      C40 'N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMI' non-polymer        76  33 .
C41      C41 'ALISKIREN                           ' non-polymer        92  39 .
C42      C42 '3'-AMINO-2'-DEOXY-CYTIDINE-5'-MONOPH' non-polymer        33  20 .
C43      C43 '2'-O-METHYOXYETHYL-CYTIDINE-5'-MONOP' non-polymer        43  25 .
C44      C44 'N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S' non-polymer        84  42 .
C45      C45 'N4-METHOXY-2'-DEOXY-CYTIDINE-5'-MONO' non-polymer        36  22 .
C46      C46 '6H,8H-3,4-DIHYDROPYRIMIDO[4,5-C][1,2' non-polymer        37  23 .
C47      C47 '"METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9' non-polymer        78  35 .
C48      C48 'N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETH' non-polymer        56  30 .
C49      C49 '4-THIO,5-FLUORO,5-METHYL-2'-DEOXY-CY' non-polymer        36  23 .
C4A      C4A '"ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-' non-polymer        71  38 .
C4B      C4B '1-beta-D-glucopyranosyl-1,3,5-triazi' non-polymer        33  20 .
C4C      C4C 'N-(4-chlorobenzyl)-N',N'-dimethyl-N-' non-polymer        40  20 .
C4E      C4E 'N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-' non-polymer        27  16 .
C4F      C4F '3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b' non-polymer        32  18 .
C4H      C4H 'N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL' non-polymer        54  27 .
C4M      C4M 'N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENY' non-polymer        55  27 .
C4P      C4P 'N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLE' non-polymer        61  32 .
C4R      C4R '(R)-2-amino-3-(bicyclo[2.2.1]hepta-2' peptide            28  15 .
C4S      C4S '.                                   ' non-polymer        32  20 .
C4X      C4X '3,4-EPOXYBUTYL-BETA-D-XYLOSIDE      ' pyranose           31  15 .
C50      C50 '1-[3-(2,3-dichlorophenoxy)propoxy]-6' non-polymer        42  23 .
C52      C52 '3-(2-aminoquinazolin-6-yl)-4-methyl-' non-polymer        44  29 .
C53      C53 '2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-Y' non-polymer        21  14 .
C5A      C5A '(1S,3S)-1-aminocyclopentane-1,3-dica' non-polymer        21  12 .
C5B      C5B '(1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICA' non-polymer        21  12 .
C5C      C5C 'S-CYCLOPENTYL THIOCYSTEINE          ' peptide            27  13 .
C5D      C5D '(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-tri' non-polymer        65  33 .
C5G      C5G '.                                   ' non-polymer        59  36 .
C5M      C5M 'N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]' non-polymer        68  35 .
C5P      C5P 'CYTIDINE-5'-MONOPHOSPHATE           ' non-polymer        33  21 .
C5X      C5X '4,5-EPOXYPENTYL-BETA-D-XYLOSIDE     ' pyranose           34  16 .
C60      C60 '"[[[3-(2-METHYL-PROPANE-2-SULFONYL)-' non-polymer       112  51 .
C61      C61 '(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDR' non-polymer        82  34 .
C62      C62 '4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN' non-polymer        33  23 .
C64      C64 'N-(4-bromophenyl)-2-[2-(1,3-thiazol-' non-polymer        38  25 .
C66      C66 '2-AMINOETHYLLYSINE-CARBONYLMETHYLENE' non-polymer        47  24 .
C6B      C6B '"[(2S,3S,4R,5S)-5-(4-amino-2-oxo-pyr' non-polymer        33  21 .
C6C      C6C 'S-CYCLOHEXYL THIOCYSTEINE           ' peptide            30  14 .
C6L      C6L 'N-hexanoyl-L-homoserine             ' non-polymer        33  15 .
C6P      C6P 'N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONO' non-polymer        36  22 .
C6Q      C6Q 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyr' non-polymer       109  46 .
C71      C71 'N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAH' non-polymer        70  34 .
C75      C75 '4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOL' non-polymer        37  24 .
C78      C78 '"[1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLC' non-polymer        86  46 .
C7C      C7C '5-[(4-chlorophenyl)sulfanyl]-1,2,3-t' non-polymer        20  16 .
C7M      C7M '(2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1' non-polymer        67  37 .
C7P      C7P 'cis-diammine(pyridine)chloroplatinum' non-polymer        21  10 .
C80      C80 '"(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO' non-polymer        78  37 .
C85      C85 '4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOL' non-polymer        34  23 .
C8C      C8C '2-amino-6-[2-(1H-indol-6-yl)ethyl]py' non-polymer        33  19 .
C8D      C8D 'N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHY' non-polymer        82  42 .
C8E      C8E '(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE' non-polymer        55  21 .
C8F      C8F '8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[' non-polymer       115  49 .
C8M      C8M '3-[{[(2R,3S,4R,5R)-5-(6-amino-8-meth' non-polymer        49  26 .
C8P      C8P 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyr' non-polymer       115  48 .
C90      C90 'N-{(1S,2R)-2-hydroxy-1-[(hydroxyamin' non-polymer        59  32 .
C92      C92 '"N'-(6-aminopyridin-3-yl)-N-(2-cyclo' non-polymer        53  27 .
C94      C94 '4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOL' non-polymer        37  27 .
C95      C95 '"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZO' non-polymer        31  22 .
C96      C96 '4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIA' non-polymer        37  24 .
C99      C99 '"{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYP' non-polymer        29  17 .
C9A      C9A '"4-chlorobenzyl 6-fluoro-7-(4-methyl' non-polymer        70  41 .
C9P      C9P '"4-(dihydroxyboranyl)-2-({[4-(phenyl' non-polymer        43  30 .
CA1      CA1 'ETHYL PROPIONATE                    ' non-polymer        17   7 .
CA2      CA2 '(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-' non-polymer        43  22 .
CA3      CA3 'COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE' non-polymer       116  66 .
CA4      CA4 'CYPROTERONE ACETATE                 ' non-polymer        58  29 .
CA5      CA5 'COA-S-ACETYL 5-BROMOTRYPTAMINE      ' non-polymer       107  64 .
CAA      CAA 'ACETOACETYL-COENZYME A              ' non-polymer        90  54 .
CAB      CAB '4,4-dihydroxy-5-oxo-L-norvaline     ' peptide            19  11 .
CAC      CAC 'CACODYLATE ION                      ' non-polymer        11   5 .
CA       CA  'CALCIUM ION                         ' non-polymer         1   1 .
CAD      CAD 'CACODYLIC ACID                      ' non-polymer        12   5 .
CAE      CAE 'CAMPHANE                            ' non-polymer        28  10 .
CAF      CAF 'S-DIMETHYLARSINOYL-CYSTEINE         ' peptide            22  11 .
CAG      CAG '.                                   ' non-polymer        63  43 .
CAH      CAH '5-EXO-HYDROXYCAMPHOR                ' non-polymer        28  12 .
CAI      CAI 'CARBOMYCIN A                        ' non-polymer       126  59 .
CAK      CAK '[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDRO' non-polymer        29  16 .
CAL      CAL '5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISO' non-polymer        50  20 .
CAM      CAM 'CAMPHOR                             ' non-polymer        27  11 .
CAN      CAN 'CANALINE                            ' non-polymer        18   9 .
CAO      CAO 'OXIDIZED COENZYME A                 ' non-polymer        81  49 .
CAP      CAP '2-CARBOXYARABINITOL-1,5-DIPHOSPHATE ' non-polymer        30  21 .
CAQ      CAQ 'CATECHOL                            ' non-polymer        14   8 .
CAR      CAR '.                                   ' DNA                33  21 .
CAS      CAS 'S-(DIMETHYLARSENIC)CYSTEINE         ' peptide            21  10 .
CAT      CAT 'DODECANE-TRIMETHYLAMINE             ' non-polymer        50  16 .
CAU      CAU '(2S)-1-(9H-Carbazol-4-yloxy)-3-(isop' non-polymer        44  22 .
CAV      CAV '5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-2' non-polymer        48  20 .
CAX      CAX '(2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3' non-polymer        31  13 .
CAZ      CAZ 'ACYLATED CEFTAZIDIME                ' non-polymer        48  31 .
CB1      CB1 '5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMI' non-polymer        26  18 .
CB2      CB2 '"PHOSPHORIC ACID MONO-[5-(4-AMINO-5-' DNA                33  22 .
CB3      CB3 '10-PROPARGYL-5,8-DIDEAZAFOLIC ACID  ' non-polymer        56  35 .
CB4      CB4 'PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-' non-polymer        36  22 .
CB5      CB5 'COBALT BIS(1,2-DICARBOLLIDE)        ' non-polymer        45  23 .
CB6      CB6 '"(1R,4S,5R)-1,4,5-trihydroxy-3-[(5-m' non-polymer        41  24 .
CB9      CB9 '"(2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-' non-polymer        44  26 .
CBA      CBA 'N-PYRIDOXYL-2,3-DIHYDROXYASPARTIC AC' non-polymer        39  26 .
CBB      CBB '"1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOL' non-polymer        63  32 .
CBC      CBC 'N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2' non-polymer        37  27 .
CBD      CBD 'CIBACRON BLUE                       ' non-polymer        71  51 .
CBE      CBE '2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OX' non-polymer        29  16 .
CBF      CBF 'C-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL)' non-polymer        28  15 .
CBG      CBG 'PROPANAL                            ' non-polymer        10   4 .
CBH      CBH 'S-(D-CARBOXYBUTYL)-L-HOMOCYSTEINE   ' non-polymer        30  15 .
CBI      CBI 'CELLOBIOSE                          ' saccharide         45  23 .
CBL      CBL 'CHLORAMBUCIL                        ' non-polymer        37  19 .
CBN      CBN 'CLOROBIOCIN                         ' non-polymer        86  49 .
CBO      CBO 'CARBENOXOLONE                       ' non-polymer        89  41 .
CBP      CBP '2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESU' non-polymer        48  28 .
CBQ      CBQ '[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPH' non-polymer        26  17 .
CBR      CBR '5-BROMO-2'-DEOXY-CYTIDINE-5'-MONOPHO' DNA                32  21 .
CBS      CBS 'DI(N-ACETYL-D-GLUCOSAMINE)          ' non-polymer        57  29 .
CBT      CBT 'N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-T' non-polymer        35  22 .
CBU      CBU '(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,' non-polymer        24  12 .
CBV      CBV '.                                   ' non-polymer        33  22 .
CBW      CBW '(3BETA,5BETA,14BETA)-3-HYDROXY-11-OX' non-polymer        79  34 .
CBY      CBY 'COB(II)INAMIDE                      ' non-polymer       140  68 .
CC0      CC0 '"(4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL' non-polymer        80  43 .
CC1      CC1 '"{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-' non-polymer        86  45 .
CC2      CC2 '4-hydroxy-6,7-dimethyl-3-(naphthalen' non-polymer        43  25 .
CC3      CC3 'N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL' non-polymer        48  30 .
CC5      CC5 'BETA-D-ERYTHROFURANOSYL-ADENOSINE   ' non-polymer        28  17 .
CC7      CC7 '4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-di' non-polymer        31  20 .
CCA      CCA '"2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO' non-polymer        44  22 .
CCB      CCB 'CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE    ' non-polymer        29  12 .
CCC      CCC '.                                   ' RNA                34  24 .
CCD      CCD '(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN' non-polymer        30  10 .
CCE      CCE '2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETH' non-polymer        25  10 .
CCG      CCG 'CALICHEAMICIN GAMMA-1               ' non-polymer       158  84 .
CCH      CCH '[7-ETHENYL-12-FORMYL-3,8,13,17-TERTR' non-polymer        71  43 .
CCI      CCI 'CALICHEAMICIN GAMMA-1-I             ' non-polymer       120  59 .
C        C   'CYTIDINE-5'-MONOPHOSPHATE           ' RNA                33  21 .
CCK      CCK '"[1-(6-{6-[(1-methylethyl)amino]-1H-' non-polymer        47  28 .
CCL      CCL 'N~6~-[(CYCLOPENTYLOXY)CARBONYL]-D-LY' peptide            39  18 .
CCM      CCM '1-METHYL-1-CARBOXY-CYCLOPENTANE     ' non-polymer        20   9 .
CCN      CCN 'ACETONITRILE                        ' non-polymer         6   3 .
CCO      CCO 'CARBOXYMETHYLTHIO-3-(3-CHLOROPHENYL)' non-polymer        23  17 .
CCP      CCP 'BUTYLPHOSPHONATE                    ' non-polymer        19   8 .
CCQ      CCQ 'L-CARNITINYL-COA INNER SALT         ' non-polymer       104  58 .
CCR      CCR '[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHEN' non-polymer        80  42 .
CCS      CCS 'CARBOXYMETHYLATED CYSTEINE          ' peptide            18  11 .
CCT      CCT '"5-(4-CYANOPHENYL)-3-{[(2-METHYLPHEN' non-polymer        40  27 .
CCU      CCU '(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID    ' non-polymer        14  10 .
CCV      CCV '6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL' non-polymer        29  15 .
CCX      CCX '3-cyano-N-{1-[4-(5-cyano-1H-indol-3-' non-polymer        63  35 .
CCY      CCY '"2-(1-AMINO-2-MERCAPTO-ETHYL)-5-(4-H' non-polymer        40  22 .
CDA      CDA '2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PY' non-polymer        50  31 .
CDB      CDB '2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PY' non-polymer        55  32 .
CDC      CDC '[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETH' non-polymer        56  31 .
CD       CD  'CADMIUM ION                         ' non-polymer         1   1 .
CDD      CDD '2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OX' non-polymer        49  32 .
CDE      CDE '1,2-DIMETHYL-PROPYLAMINE            ' non-polymer        19   6 .
CDF      CDF '4-AMINO-1-{5-O-[(R)-HYDROXY(PHOSPHON' non-polymer        37  25 .
CDG      CDG 'METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDE' non-polymer        33  18 .
CDH      CDH 'D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-I' non-polymer        45  24 .
CDI      CDI '2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPH' non-polymer        26  16 .
CDK      CDK '4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO' non-polymer        50  29 .
CDL      CDL 'CARDIOLIPIN                         ' non-polymer       256 100 .
CDM      CDM '4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYT' non-polymer        56  33 .
CDN      CDN 'CARDIOLIPIN                         ' non-polymer       195  77 .
CDO      CDO '"2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYL' non-polymer        64  33 .
CDP      CDP 'CYTIDINE-5'-DIPHOSPHATE             ' non-polymer        37  25 .
CDR      CDR '2,3-DIDEOXYFUCOSE                   ' non-polymer        21   9 .
CDS      CDS '"(2R)-2-[(1R)-1-{[(2Z)-2-(2-AMINO-1,' non-polymer        52  33 .
CDT      CDT '4-METHYLSULFANYL-2-UREIDO-BUTYRIC AC' non-polymer        23  12 .
CDU      CDU 'N-CYCLOHEXYL-N'-DECYLUREA           ' non-polymer        54  20 .
CDV      CDV '3-METHYL-2-UREIDO-BUTYRIC ACID      ' non-polymer        22  11 .
CDW      CDW '(4R)-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D' DNA                30  19 .
CDX      CDX '(S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BI' non-polymer        35  19 .
CDY      CDY '2-CHLORODIDEOXYADENOSINE            ' non-polymer        30  18 .
CDZ      CDZ '3,5-dihydroxy-4,6,6-tris(3-methylbut' non-polymer        65  29 .
CE0      CE0 '"(2R)-2-[(1R)-2-[(2S)-2-amino-2-carb' non-polymer        57  33 .
CE1      CE1 'O-DODECANYL OCTAETHYLENE GLYCOL     ' non-polymer        95  37 .
CE2      CE2 '3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL' non-polymer        31  16 .
CE3      CE3 '"(6S,7S)-3-[(ACETYLOXY)METHYL]-7-{[(' non-polymer        46  30 .
CE5      CE5 'CELLOPENTAOSE                       ' non-polymer       108  56 .
CE6      CE6 'CELLOHEXAOSE                        ' non-polymer       129  67 .
CE8      CE8 'CELLOOCTAOSE                        ' non-polymer       171  89 .
CE9      CE9 'DODECYL NONA ETHYLENE GLYCOL ETHER  ' non-polymer       102  40 .
CEB      CEB '2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYA' non-polymer        32  17 .
CE       CE  'CERIUM (III) ION                    ' non-polymer         1   1 .
CED      CED '"5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-Y' non-polymer        37  22 .
CEE      CEE '(2-chloroethyl)benzene              ' non-polymer        18   9 .
CEF      CEF 'CEFOTAXIME GROUP                    ' non-polymer        48  30 .
CEG      CEG '4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-G' pyranose           30  17 .
CEH      CEH '"5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBO' non-polymer        90  52 .
CEI      CEI 'N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZ' non-polymer        52  31 .
CEJ      CEJ 'CYCLOPENTANE-1,3-DIONE              ' non-polymer        13   7 .
CEK      CEK '(9aS)-8-acetyl-1,7-dihydroxy-3-metho' non-polymer        59  36 .
CEL      CEL '4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROME' non-polymer        40  26 .
CEM      CEM 'N-(1-CARBOXY-2-HYDROXY-4-OXO-BUTYL)-' non-polymer        24  14 .
CEN      CEN '7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSP' non-polymer        42  26 .
CEO      CEO '"5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-' non-polymer        35  22 .
CEP      CEP 'CEPHALOTHIN GROUP                   ' non-polymer        43  26 .
CEQ      CEQ 'ETHYL-TRIMETHYL-SILANE              ' non-polymer        20   6 .
CER      CER '(2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,' non-polymer        35  16 .
CES      CES '"2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYI' non-polymer        41  26 .
CET      CET '2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYA' non-polymer        32  17 .
CEW      CEW '"(2R)-2-[(1R)-1-({[(2R)-2-amino-2,3-' non-polymer        44  26 .
CEX      CEX 'alpha-D-glucopyranosyl-(1->4)-alpha-' non-polymer       108  56 .
CEY      CEY 'alpha-D-glucopyranosyl-(1->4)-alpha-' non-polymer       129  67 .
CF1      CF1 '2-{[2-chloro-5-(trifluoromethyl)phen' non-polymer        33  23 .
CF2      CF2 '"2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4' non-polymer        68  42 .
CF3      CF3 '9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANA' non-polymer        39  21 .
CF4      CF4 '"[4-(7,8-dimethyl-2,4-dioxo-3,4-dihy' non-polymer        45  26 .
CF5      CF5 '.                                   ' non-polymer        39  24 .
CFA      CFA '(2,4-DICHLOROPHENOXY)ACETIC ACID    ' non-polymer        18  13 .
CFB      CFB '2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-AR' non-polymer        31  20 .
CFC      CFC '1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBON' non-polymer        33  19 .
CFD      CFD '(2R,3E,5R)-5-amino-2,4-dimethylhex-3' non-polymer        25  10 .
CFE      CFE '(8R)-3-beta-D-ribofuranosyl-3,6,7,8-' non-polymer        36  20 .
CFF      CFF 'CAFFEINE                            ' non-polymer        24  14 .
CFH      CFH '1,1,1,3,3,3-hexafluoropropan-2-ol   ' non-polymer        12  10 .
CFL      CFL '"4-amino-1-(2-deoxy-2-fluoro-5-O-pho' non-polymer        32  21 .
CFM      CFM 'FE-MO-S CLUSTER                     ' non-polymer        23  17 .
CFN      CFN 'FE(7)-MO-S(9)-N CLUSTER             ' non-polymer        24  18 .
CFO      CFO 'CHLORO DIIRON-OXO MOIETY            ' non-polymer         4   4 .
CFP      CFP '6-CHLORO-2-FLUOROPURINE             ' non-polymer        13  11 .
CFQ      CFQ '1-(2-nitrophenyl)-2,2,2-trifluoroeth' non-polymer        40  21 .
CFS      CFS '4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-3-' non-polymer        35  17 .
CFT      CFT 'TRIFLUOROMETHANE                    ' non-polymer         5   4 .
CFV      CFV '"[(2R)-1-(4-amino-2-oxo-pyrimidin-1-' non-polymer        32  18 .
CFX      CFX 'CEFOXITIN                           ' non-polymer        44  28 .
CFY      CFY '"[(2S)-2-{(2R)-2-[(1S)-1-amino-2-phe' non-polymer        56  33 .
CFZ      CFZ '.                                   ' non-polymer        32  21 .
CG1      CG1 '5'-O-[(R)-hydroxy(methoxy)phosphoryl' non-polymer        40  25 .
CG2      CG2 'CYTIDYL-2'-5'-PHOSPHO-GUANOSINE     ' non-polymer        64  40 .
CG3      CG3 'HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM ' non-polymer        16  10 .
CGA      CGA 'CARBOXYMETHYLATED GLUTAMIC ACID     ' peptide            23  14 .
CGB      CGB 'CALYSTEGINE B2                      ' non-polymer        25  12 .
CG       CG  '4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRA' non-polymer        31  17 .
CGE      CGE 'Clopidogrel                         ' non-polymer        37  21 .
CGF      CGF 'C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) F' pyranose           31  17 .
CGL      CGL 'CYSTINE-GLUTATHIONE                 ' non-polymer        46  27 .
CGN      CGN '5-OXO-PYRROLIDINE-2-CARBALDEHYDE    ' non-polymer        15   8 .
CGP      CGP '2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3' non-polymer        62  38 .
CGQ      CGQ '"3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDE' non-polymer        48  26 .
CGR      CGR 'CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE ' non-polymer        57  36 .
CGS      CGS '"N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)S' non-polymer        50  27 .
CGT      CGT 'CARBA-GLUCOTROPAEOLIN               ' non-polymer        47  26 .
CGU      CGU 'GAMMA-CARBOXY-GLUTAMIC ACID         ' peptide            19  13 .
CH0      CH0 '"2-{[(3alpha,5alpha,7alpha,8alpha,10' non-polymer       216 102 .
CH1      CH1 '3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE   ' non-polymer        40  28 .
CH2      CH2 'METHYLENE GROUP                     ' non-polymer         5   1 .
CH4      CH4 '3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINO' non-polymer        33  13 .
CH5      CH5 '2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHOR' non-polymer        36  16 .
CH6      CH6 '"{(4Z)-2-[(1S)-1-amino-3-(methylsulf' non-polymer        42  24 .
CH7      CH7 '"[(4Z)-4-(4-HYDROXYBENZYLIDENE)-5-OX' non-polymer        40  24 .
CHA      CHA '1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPAN' non-polymer        30  11 .
CHB      CHB '3-CHLORO-4-HYDROXYBENZOIC ACID      ' non-polymer        15  11 .
CHC      CHC '6-ETHYL-CHENODEOXYCHOLIC ACID       ' non-polymer        73  30 .
CH       CH  'N3-PROTONATED CYTIDINE-5'-MONOPHOSPH' RNA                34  21 .
CHD      CHD 'CHOLIC ACID                         ' non-polymer        68  29 .
CHF      CHF 'CYCLOHEXYLFLUOROSTATONE             ' non-polymer        36  18 .
CHG      CHG 'CYCLOHEXYL-GLYCINE                  ' peptide            25  11 .
CHH      CHH 'N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIU' non-polymer        28  10 .
CHI      CHI '"5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACI' non-polymer        54  31 .
CHK      CHK '6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL' non-polymer        55  24 .
CHL      CHL 'CHLOROPHYLL B                       ' non-polymer       136  66 .
CHM      CHM '1,3-DICHLORO-PROPAN-2-ONE           ' non-polymer        10   6 .
CHN      CHN '4-AMINOMETHYL-CYCLOHEXYLAMINE       ' non-polymer        25   9 .
CHO      CHO 'GLYCOCHENODEOXYCHOLIC ACID          ' non-polymer        74  32 .
CHP      CHP '3-CHLORO-4-HYDROXYPHENYLGLYCINE     ' peptide            20  13 .
CHQ      CHQ 'CYCLO-(L-HISTIDINE-L-PROLINE) INHIBI' non-polymer        31  17 .
CHR      CHR 'NEOCARZINOSTATIN-CHROMOPHORE        ' non-polymer        81  48 .
CHS      CHS '4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTA' non-polymer        35  15 .
CHT      CHT 'CHOLINE ION                         ' non-polymer        21   7 .
CHX      CHX 'CYCLOHEXANE                         ' non-polymer        18   6 .
CHY      CHY 'CHYMOSTATIN                         ' non-polymer        84  44 .
CHZ      CHZ '1,8-dihydroxyanthracene-9,10-dione  ' non-polymer        26  18 .
CI2      CI2 '(5BETA)-PREGNANE-3,20-DIONE         ' non-polymer        55  23 .
CI9      CI9 '"N-({(1S)-5-[4-(13-{[2,4-BIS(DIHYDRO' non-polymer        95  52 .
CIA      CIA '"6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,' non-polymer        48  29 .
CIB      CIB '"2-ACETYLAMINO-4-METHYL-PENTANOIC AC' non-polymer        64  27 .
CIC      CIC 'CITRYL-THIOETHER-COENZYME *A        ' non-polymer        97  59 .
CID      CID '"6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,' non-polymer        39  27 .
CIE      CIE '"2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMID' non-polymer        42  27 .
CIG      CIG '2-AMINO-6-CHLOROPYRAZINE            ' non-polymer        12   8 .
CIH      CIH '(2Z)-2-cyano-N-(2,2'-dichlorobipheny' non-polymer        35  23 .
CII      CII 'N-[(1S)-2-methyl-1-(pyridin-4-ylcarb' non-polymer        47  22 .
CIL      CIL 'CILASTATIN                          ' non-polymer        48  24 .
CIN      CIN '4-CARBOXYCINNAMIC ACID              ' non-polymer        20  14 .
CIO      CIO 'CILOMILAST                          ' non-polymer        49  25 .
CIP      CIP 'INOSITOL-2-METHYLENE-1,2-CYCLIC-MONO' non-polymer        28  15 .
CIQ      CIQ '2-cyclohexyl-6-methoxy-N-[1-(1-methy' non-polymer        84  37 .
CIR      CIR 'CITRULLINE                          ' non-polymer        24  12 .
CIS      CIS '(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3' non-polymer       152  61 .
CIT      CIT 'CITRIC ACID                         ' non-polymer        18  13 .
CIU      CIU 'N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA  ' non-polymer        34  17 .
CJB      CJB '1-beta-D-glucopyranosylpyrimidine-2,' non-polymer        33  19 .
CJH      CJH '(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-' non-polymer        42  24 .
CJO      CJO '"[(2R,4R)-2-[(1R,2R)-1-amino-2-hydro' non-polymer        43  23 .
CJZ      CJZ '2-[(3,5-dichloro-4-hydroxyphenyl)ami' non-polymer        27  19 .
CK1      CK1 '4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-' non-polymer        19  14 .
CK2      CK2 '4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYR' non-polymer        24  14 .
CK3      CK3 'N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)' non-polymer        28  17 .
CK4      CK4 '4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-' non-polymer        37  24 .
CK5      CK5 '3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYR' non-polymer        35  21 .
CK6      CK6 '4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL' non-polymer        37  22 .
CK7      CK7 '[4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-P' non-polymer        35  23 .
CK8      CK8 '"N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PY' non-polymer        42  23 .
CK9      CK9 '2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPY' non-polymer        53  27 .
CKB      CKB '1-beta-D-glucopyranosyl-5-methylpyri' non-polymer        36  20 .
CKE      CKE '1-{7-cyclohexyl-6-[4-(4-methylpipera' non-polymer        65  31 .
CKG      CKG '8-(CYCLOHEXA-2,5-DIEN-1-YLIDENEAMINO' non-polymer        55  30 .
CKI      CKI 'N-(2-AMINOETHYL)-5-CHLOROISOQUINOLIN' non-polymer        30  18 .
CKK      CKK 'N-{[4-({5-[(4-aminopiperidin-1-yl)me' non-polymer        66  39 .
CKP      CKP '"(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-5-[(' non-polymer        25  17 .
CKR      CKR '6-amino-2-[(2-morpholin-4-ylethyl)am' non-polymer        43  24 .
CL1      CL1 'ALPHA CHLOROPHYLL A                 ' non-polymer       137  65 .
CL3      CL3 'N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZO' non-polymer        43  26 .
CL4      CL4 'N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIH' non-polymer        53  34 .
CL5      CL5 'N-(3-OXOPROPYL)GLYCINE              ' non-polymer        17   9 .
CL6      CL6 '1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]' non-polymer        42  25 .
CL7      CL7 'CHLOROPHYLL D                       ' non-polymer       135  65 .
CL8      CL8 'CHLORAMPHENICOL SUCCINATE           ' non-polymer        42  27 .
CL9      CL9 '2-chloro-2'-deoxyadenosine          ' non-polymer        31  19 .
CLA      CLA 'CHLOROPHYLL A                       ' non-polymer       137  65 .
CLB      CLB 'D-PARA-CHLOROPHENYL-1-ACETAMIDOBORON' peptide            41  23 .
CLC      CLC 'N-ACETYL-P-NITROPHENYLSERINOL       ' non-polymer        32  18 .
CL       CL  'CHLORIDE ION                        ' non-polymer         1   1 .
CLD      CLD 'D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORON' peptide            41  23 .
CLE      CLE 'LEUCINE AMIDE                       ' non-polymer        23   9 .
CLF      CLF 'FE(8)-S(7) CLUSTER                  ' non-polymer        21  15 .
CLG      CLG '2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO' peptide            38  19 .
CLH      CLH '2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-ACE' peptide            34  18 .
CLI      CLI '3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-1H-' non-polymer        26  19 .
CLK      CLK 'ALPHA-N-DICHLOROACETYL-P-AMINOPHENYL' non-polymer        32  18 .
CLL      CLL 'CHOLESTERYL LINOLEATE               ' non-polymer       123  47 .
CLM      CLM 'CHLORAMPHENICOL                     ' non-polymer        32  20 .
CLN      CLN 'SULFUR SUBSTITUTED PROTOPORPHYRIN IX' non-polymer        74  44 .
CLP      CLP 'FE-S CLUSTER                        ' non-polymer        22  16 .
CLQ      CLQ 'N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DI' non-polymer        48  22 .
CLR      CLR 'CHOLESTEROL                         ' non-polymer        74  28 .
CLS      CLS 'CEPHALOTHIN                         ' non-polymer        41  26 .
CLT      CLT '4-PHENYL-BUTANOIC ACID              ' non-polymer        23  12 .
CLU      CLU '2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDEN' non-polymer        23  14 .
CLV      CLV '{(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-2,' non-polymer        23  13 .
CLW      CLW 'CHLORZOXAZONE                       ' non-polymer        15  11 .
CLX      CLX 'TRI-CHLORO-ACETALDEHYDE             ' non-polymer         7   6 .
CLY      CLY 'CLINDAMYCIN                         ' non-polymer        60  27 .
CLZ      CLZ '5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE ' non-polymer        24  16 .
CM0      CM0 '.                                   ' non-polymer        38  26 .
CM1      CM1 'CARBOXYMYCOBACTIN S                 ' non-polymer       104  54 .
CM2      CM2 'CARBOXYMYCOBACTIN T                 ' non-polymer       101  53 .
CM3      CM3 '(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHEN' non-polymer        67  35 .
CM4      CM4 '(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-MET' non-polymer        64  33 .
CM5      CM5 '5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSI' non-polymer        76  34 .
CM6      CM6 '(2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLS' non-polymer        44  29 .
CM7      CM7 '"N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3' non-polymer        79  44 .
CM8      CM8 'N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-' non-polymer        80  43 .
CM9      CM9 'CIS-4-METHYL-N-[(1S)-3-(METHYLSULFAN' non-polymer        51  24 .
CMA      CMA 'N2-(CARBOXYETHYL)-L-ARGININE        ' non-polymer        33  17 .
CMB      CMB '1-(3-carbamimidoylbenzyl)-N-(3,5-dic' non-polymer        54  32 .
CMC      CMC 'CARBOXYMETHYL COENZYME *A           ' non-polymer        85  52 .
CMD      CMD '3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINY' non-polymer        80  46 .
CME      CME 'S,S-(2-HYDROXYETHYL)THIOCYSTEINE    ' peptide            21  11 .
CMF      CMF '"3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-' non-polymer        62  33 .
CMG      CMG '6-O-CYCLOHEXYLMETHYL GUANINE        ' non-polymer        35  18 .
CMH      CMH 'S-(METHYLMERCURY)-L-CYSTEINE        ' peptide            17   9 .
CMI      CMI '"1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL' non-polymer        60  32 .
CMJ      CMJ '(20S)-20-methyldotetracontane       ' non-polymer       131  43 .
CMK      CMK '.                                   ' non-polymer        60  36 .
CML      CML '(2S)-2-{[(2R)-2-amino-2-carboxyethyl' peptide            23  15 .
CMM      CMM '"2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-Y' non-polymer        75  41 .
CMO      CMO 'CARBON MONOXIDE                     ' non-polymer         2   2 .
CMP      CMP 'ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE' non-polymer        33  22 .
CMQ      CMQ 'N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S' non-polymer        63  31 .
CMR      CMR '2'-DEOXY-CYTIDINE-5'-RP-MONOMETHYLPH' non-polymer        36  20 .
CMS      CMS 'CARBAMOYL SARCOSINE                 ' non-polymer        16   9 .
CMT      CMT 'O-METHYLCYSTEINE                    ' non-polymer        17   8 .
CMU      CMU '5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) ' non-polymer        27  16 .
CMV      CMV '"(2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethy' non-polymer        62  34 .
CMW      CMW '3-{[(4-methylphenyl)sulfonyl]amino}p' non-polymer        43  24 .
CMX      CMX 'CARBOXYMETHYLDETHIA COENZYME *A     ' non-polymer        84  51 .
CMY      CMY '(6-AMINOHEXYL)CARBAMIC ACID         ' non-polymer        27  11 .
CMZ      CMZ '(2S)-1-(2,5-dimethylphenoxy)-3-morph' non-polymer        42  19 .
CN1      CN1 'OXO-IRON CLUSTER 2                  ' non-polymer        24  15 .
CN2      CN2 '2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-' non-polymer        55  30 .
CN3      CN3 '"(2R,5S,11R,14R)-5,8,11-trihydroxy-2' non-polymer       121  55 .
CN5      CN5 '"(5S,11R)-5,8,11-trihydroxy-5,11-dio' non-polymer        91  41 .
CN6      CN6 '"(2R,5R,11S,14R)-2-(butanoyloxy)-5,8' non-polymer       106  50 .
CNA      CNA 'CARBA-NICOTINAMIDE-ADENINE-DINUCLEOT' non-polymer        72  44 .
CNB      CNB 'OXO-IRON CLUSTER 1                  ' non-polymer        22  14 .
CNC      CNC 'CO-CYANOCOBALAMIN                   ' non-polymer       180  93 .
CND      CND '5-BETA-D-RIBOFURANOSYLNICOTINAMIDE A' non-polymer        70  44 .
CNE      CNE '"(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SU' non-polymer        79  44 .
CNF      CNF 'OXO-IRON CLUSTER 3                  ' non-polymer        24  15 .
CNH      CNH '2-HYDROXY-2-METHYLPROPANENITRILE    ' non-polymer        13   6 .
CNI      CNI '7-nitro-2,3-dioxo-2,3-dihydroquinoxa' non-polymer        19  17 .
CNL      CNL '1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]O' non-polymer        29  11 .
CNN      CNN 'CYANAMIDE                           ' non-polymer         5   3 .
CNO      CNO '"2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-E' non-polymer        70  40 .
CNP      CNP '2-PROPENYL-N-ACETYL-NEURAMIC ACID   ' non-polymer        45  23 .
CNQ      CNQ '3-(4-CHLOROPHENYL)QUINOXALINE-5-CARB' non-polymer        30  20 .
CNR      CNR '(2S)-2-CHLOROPROPANOIC ACID         ' non-polymer        10   6 .
CNS      CNS 'HEXADECYL OCTANOATE                 ' non-polymer        74  26 .
CNT      CNT 'N-METHYL-META-CHLORO-TYROSINE       ' non-polymer        26  15 .
CNU      CNU '5-CYANO-URIDINE-5'-MONOPHOSPHATE    ' non-polymer        33  23 .
CNX      CNX 'heptanenitrile                      ' non-polymer        21   8 .
CNY      CNY '"13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9' non-polymer        85  41 .
CO1      CO1 '17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METH' non-polymer        73  29 .
CO2      CO2 'CARBON DIOXIDE                      ' non-polymer         3   3 .
CO3      CO3 'CARBONATE ION                       ' non-polymer         4   4 .
CO4      CO4 '2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIME' non-polymer        52  28 .
CO6      CO6 'ISOBUTYRYL-COENZYME A               ' non-polymer        91  53 .
CO7      CO7 '.                                   ' non-polymer        89  53 .
CO8      CO8 'OCTANOYL-COENZYME A                 ' non-polymer       103  57 .
CO9      CO9 '1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL' non-polymer        56  32 .
COA      COA 'COENZYME A                          ' non-polymer        80  48 .
COB      COB 'CO-METHYLCOBALAMIN                  ' non-polymer       182  92 .
COC      COC 'COCAINE                             ' non-polymer        43  22 .
CO       CO  'COBALT (II) ION                     ' non-polymer         1   1 .
COD      COD 'DEPHOSPHO COENZYME A                ' non-polymer        77  44 .
COF      COF 'TRIFLUOROACETONYL COENZYME A        ' non-polymer        88  55 .
COG      COG '2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBEN' non-polymer        46  25 .
COH      COH 'PROTOPORPHYRIN IX CONTAINING CO     ' non-polymer        73  43 .
COI      COI '2-OXO-4-METHYLPENTANOIC ACID        ' non-polymer        18   9 .
COJ      COJ 'HYDROGENOBYRINIC ACID               ' non-polymer       116  63 .
COK      COK '.                                   ' non-polymer        88  52 .
COL      COL '2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIE' non-polymer        25  18 .
COM      COM '1-THIOETHANESULFONIC ACID           ' non-polymer        13   7 .
CON      CON 'COBALT TETRAAMMINE ION              ' non-polymer        17   5 .
COO      COO 'CROTONYL COENZYME A                 ' non-polymer        89  53 .
COP      COP '"N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTE' non-polymer        67  42 .
COQ      COQ '2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBEN' non-polymer        45  25 .
COR      COR '2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPE' non-polymer        42  20 .
COS      COS 'COENZYME A PERSULFIDE               ' non-polymer        81  49 .
COT      COT 'COA-S-ACETYL TRYPTAMINE             ' non-polymer       107  63 .
COU      COU 'COUMARIN                            ' non-polymer        17  11 .
COV      COV '(1S,3R,5Z,7E,14beta,17alpha)-17-[(2S' non-polymer        76  32 .
COW      COW 'Anthraniloyl-coenzyme A             ' non-polymer        94  57 .
COX      COX '4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BE' non-polymer        36  22 .
COY      COY 'CO-(ADENIN-9-YL-PENTYL)-COBALAMIN   ' non-polymer       211 106 .
COZ      COZ 'COENZYME A                          ' non-polymer        80  48 .
CP0      CP0 '.                                   ' non-polymer        81  43 .
CP1      CP1 '2-(METHYLAMINO)-ETHYLGLYCINE-CARBONY' non-polymer        36  20 .
CP2      CP2 '1,2-DICHLORO-PROPANE                ' non-polymer        11   5 .
CP3      CP3 'COPROPORPHYRIN III                  ' non-polymer        88  48 .
CP4      CP4 'BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-' non-polymer        58  34 .
CP5      CP5 '(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-' non-polymer        21  15 .
CP6      CP6 '5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDI' non-polymer        30  17 .
CP7      CP7 '6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMI' non-polymer        30  16 .
CP8      CP8 '.                                   ' non-polymer        46  26 .
CP9      CP9 '3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN' non-polymer        43  27 .
CPA      CPA '2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3' non-polymer        61  37 .
CPB      CPB '2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-' non-polymer        48  28 .
CPC      CPC '2-METHYL-1-METHYLAMINO-CYCLOPROPANE ' M-peptide          19   9 .
CP       CP  'PHOSPHORIC ACID MONO(FORMAMIDE)ESTER' non-polymer        10   8 .
CPD      CPD '"[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL' non-polymer        84  48 .
CPF      CPF '"1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPE' non-polymer        41  24 .
CPH      CPH '1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIH' non-polymer        52  28 .
CPI      CPI '6-CARBOXYPIPERIDINE                 ' non-polymer        19   9 .
CPJ      CPJ 'BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3' non-polymer        52  30 .
CPK      CPK 'BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-' non-polymer        56  32 .
CPL      CPL '1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3' non-polymer       132  52 .
CPM      CPM 'S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIM' non-polymer        31  16 .
CPN      CPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        34  19 .
CPO      CPO 'COPROGEN                            ' non-polymer       108  55 .
CPP      CPP '2-CYCLOPROPYLMETHYLENEPROPANAL      ' non-polymer        20   8 .
CPQ      CPQ 'N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYC' non-polymer       135  60 .
CPR      CPR '.                                   ' non-polymer        34  23 .
CPS      CPS '3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONI' non-polymer       100  42 .
CPT      CPT 'Cisplatin                           ' non-polymer        11   5 .
CPU      CPU '.                                   ' non-polymer        43  19 .
CPV      CPV '5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISO' non-polymer        47  19 .
CPW      CPW '"(S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2' non-polymer        29  17 .
CPX      CPX 'N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLA' non-polymer        70  32 .
CPY      CPY '1-(3-AMINO-4-CYCLOHEXYL-2-HYDROXYBUT' non-polymer        43  19 .
CPZ      CPZ '4-(4-CHLOROPHENYL)IMIDAZOLE         ' non-polymer        19  12 .
CQA      CQA '4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[' non-polymer        47  25 .
CQL      CQL '5-chloro-7-iodoquinolin-8-ol        ' non-polymer        18  13 .
CQP      CQP '(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYR' non-polymer        51  29 .
CQU      CQU 'N-[2-(5-methyl-4H-1,2,4-triazol-3-yl' non-polymer        35  22 .
CQW      CQW '5-(5-chloro-7H-pyrrolo[2,3-d]pyrimid' non-polymer        30  19 .
CR0      CR0 '"[2-(1-AMINO-2-HYDROXYPROPYL)-2-HYDR' non-polymer        40  19 .
CR1      CR1 '1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GL' pyranose           31  16 .
CR2      CR2 '"{(4Z)-2-(aminomethyl)-4-[(4-hydroxy' non-polymer        32  20 .
CR3      CR3 '2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-' non-polymer        46  25 .
CR4      CR4 '2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIM' non-polymer        31  19 .
CR5      CR5 '"(2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-' non-polymer        23  14 .
CR6      CR6 '1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2' pyranose           34  18 .
CR7      CR7 '"[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-4-' non-polymer        46  25 .
CR8      CR8 '"2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHY' non-polymer        41  26 .
CR9      CR9 '2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-' non-polymer        51  28 .
CRA      CRA '1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GL' pyranose           35  19 .
CRB      CRB '"[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-' non-polymer        31  17 .
CR       CR  'CHROMIUM ION                        ' non-polymer         1   1 .
CRD      CRD '(2E)-BUT-2-ENAL                     ' non-polymer        11   5 .
CRE      CRE 'GERMACRENE A                        ' non-polymer        39  15 .
CRF      CRF '"[(4Z)-2-[(1R,2R)-1-amino-2-hydroxyp' non-polymer        42  25 .
CRG      CRG '"[2-(1-AMINO-2-HYDROXY-PROPYL)-4-(3H' non-polymer        35  21 .
CRH      CRH '1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHO' non-polymer        52  28 .
CRI      CRI '.                                   ' non-polymer        54  31 .
CRJ      CRJ 'N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-O' non-polymer        55  33 .
CRK      CRK '"4-{(Z)-[2-[3-(METHYLSULFANYL)PROPAN' non-polymer        38  23 .
CRL      CRL 'N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRA' non-polymer        58  28 .
CRM      CRM '"3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDRO' non-polymer        44  27 .
CRN      CRN 'N-[(E)-AMINO(IMINO)METHYL]-N-METHYLG' non-polymer        17   9 .
CRO      CRO '"{2-[(1R,2R)-1-amino-2-hydroxypropyl' non-polymer        39  23 .
CRP      CRP '((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-' non-polymer        38  20 .
CRQ      CRQ '"[2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(' non-polymer        40  25 .
CRR      CRR '3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-' non-polymer        42  29 .
CRS      CRS 'M-CRESOL                            ' non-polymer        16   8 .
CRT      CRT 'SPIRILLOXANTHIN                     ' non-polymer       104  44 .
CRU      CRU '"4-[(4Z)-1-(CARBOXYMETHYL)-4-(4-HYDR' non-polymer        38  25 .
CRV      CRV 'N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BE' non-polymer        59  33 .
CRW      CRW '[2-(1-AMINOETHYL)-4-METHYLENE-5-OXO-' non-polymer        24  14 .
CRX      CRX '[2-(1-AMINOETHYL)-2-HYDROXY-4-METHYL' non-polymer        27  15 .
CRZ      CRZ '4-(9H-CARBAZOL-9-YL)BUTANOIC ACID   ' non-polymer        33  19 .
CS1      CS1 'S-(2-ANILINYL-SULFANYL)-CYSTEINE    ' peptide            26  15 .
CS2      CS2 'D-MANNONIC ACID                     ' non-polymer        24  13 .
CS3      CS3 'S-[3-OXO-3-(2-THIENYL)PROPYL]-L-CYST' peptide            28  16 .
CS4      CS4 'S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPY' peptide            31  19 .
CS5      CS5 '"N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-' non-polymer        83  42 .
CS7      CS7 '"N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY' non-polymer        87  44 .
CS8      CS8 '3-THIAOCTANOYL-COENZYME A           ' non-polymer       101  57 .
CS9      CS9 '"N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-' non-polymer        84  43 .
CSA      CSA 'S-ACETONYLCYSTEINE                  ' peptide            21  11 .
CSB      CSB 'CYS BOUND TO LEAD ION               ' peptide            13   8 .
CSC      CSC '4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5' non-polymer        48  28 .
CS       CS  'CESIUM ION                          ' non-polymer         1   1 .
CSD      CSD '3-SULFINOALANINE                    ' peptide            15   9 .
CSE      CSE 'SELENOCYSTEINE                      ' peptide            13   7 .
CSF      CSF '.                                   ' non-polymer        70  42 .
CSG      CSG '.                                   ' non-polymer        42  29 .
CSH      CSH '"[2-(2-HYDROXY-1-METHYL-ETHYL)-4-(1H' non-polymer        36  20 .
CSI      CSI 'AMINO-(2-IMINO-HEXAHYDRO-PYRIMIDIN-4' peptide            23  12 .
CSJ      CSJ 'S-[(2-aminophenyl)carbonyl]-L-cystei' peptide            27  16 .
CSL      CSL '(D)-2'-METHYLSELENYL-2'-DEOXYCYTIDIN' non-polymer        36  22 .
CSN      CSN 'N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZ' non-polymer        20  15 .
CSO      CSO 'S-HYDROXYCYSTEINE                   ' peptide            14   8 .
CSP      CSP 'S-PHOSPHOCYSTEINE                   ' peptide            18  11 .
CSR      CSR 'S-ARSONOCYSTEINE                    ' peptide            18  11 .
CSS      CSS 'S-MERCAPTOCYSTEINE                  ' peptide            14   8 .
CST      CST '[[PHENYLALANINE-CARBONYL-AMINO-2-(2-' non-polymer        84  45 .
CSU      CSU 'CYSTEINE-S-SULFONIC ACID            ' peptide            17  11 .
CSW      CSW 'CYSTEINE-S-DIOXIDE                  ' peptide            15   9 .
CSX      CSX 'S-OXY CYSTEINE                      ' peptide            14   8 .
CSY      CSY '"[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-' non-polymer        40  22 .
CSZ      CSZ 'S-SELANYL CYSTEINE                  ' peptide            14   8 .
CT0      CT0 'N1-CYCLOPENTYL-N2-(THIAZOL-2-YL)OXAL' non-polymer        29  16 .
CT1      CT1 '(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL' non-polymer        49  22 .
CT2      CT2 '1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-F' non-polymer        50  23 .
CT4      CT4 '1-[(2-chloro-1,3-thiazol-5-yl)methyl' non-polymer        23  15 .
CT5      CT5 '4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-' non-polymer        46  26 .
CT6      CT6 '(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-' non-polymer        39  24 .
CT7      CT7 '(5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-' non-polymer        32  21 .
CT8      CT8 '(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-' non-polymer        38  24 .
CT9      CT9 '4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-' non-polymer        66  33 .
CTA      CTA 'CYCLOTHEONAMIDE A                   ' non-polymer        98  53 .
CTB      CTB 'N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ' non-polymer        23  13 .
CTC      CTC '7-CHLOROTETRACYCLINE                ' non-polymer        56  33 .
CTD      CTD '3-DEAZACYTIDINE                     ' non-polymer        31  17 .
CTE      CTE '7-CHLOROTRYPTOPHAN                  ' peptide            26  16 .
CTF      CTF '(17beta)-17-(cyanomethyl)-2-methoxye' non-polymer        56  28 .
CTG      CTG '(5R,6S)-5,6-DIHYDRO-5,6-DIHYDROXYTHY' DNA                38  23 .
CTH      CTH '4-CHLOROTHREONINE                   ' peptide            16   9 .
CTJ      CTJ '1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino' non-polymer        60  37 .
CTL      CTL 'CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYD' non-polymer        25  12 .
CTM      CTM '"(2S)-3-(4-{[2-(4-chlorophenyl)-1,3-' non-polymer        50  29 .
CTN      CTN '4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)' non-polymer        30  17 .
CTO      CTO 'TRIACETYLCHITOTRIOSE                ' non-polymer        84  43 .
CTP      CTP 'CYTIDINE-5'-TRIPHOSPHATE            ' non-polymer        41  29 .
CTR      CTR 'CELLOTRIOSE                         ' non-polymer        66  34 .
CTS      CTS 'CASTANOSPERMINE                     ' non-polymer        28  13 .
CTT      CTT 'beta-D-glucopyranosyl-(1->4)-beta-D-' non-polymer        87  45 .
CTX      CTX '(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-P' non-polymer        57  28 .
CTY      CTY 'CLARITHROMYCIN                      ' non-polymer       121  52 .
CTZ      CTZ 'C2-HYDROXY-COELENTERAZINE           ' non-polymer        54  33 .
CU1      CU1 'COPPER (I) ION                      ' non-polymer         1   1 .
CU3      CU3 'COPPER (III) ION                    ' non-polymer         1   1 .
CUA      CUA 'DINUCLEAR COPPER ION                ' non-polymer         2   2 .
CUB      CUB 'CU(I)-S-MO(IV)(=O)O-NBIC CLUSTER    ' non-polymer        20  11 .
CU       CU  'COPPER (II) ION                     ' non-polymer         1   1 .
CUD      CUD '3-(4-amino-2-oxopyrimidin-1(2H)-yl)-' peptide            23  14 .
CUL      CUL 'COPPER (II) CHLORIDE                ' non-polymer         3   3 .
CUM      CUM 'CU(I)-S-MO(VI)(=O)OH CLUSTER        ' non-polymer         6   5 .
CUN      CUN 'CU(I)-S-MO(IV)(=O)OH CLUSTER        ' non-polymer         6   5 .
CUO      CUO 'CU2-O2 CLUSTER                      ' non-polymer         4   4 .
CUP      CUP '(N-SALICYLIDEN-L-PHENYLALANATO)-COPP' non-polymer        34  21 .
CUS      CUS '(N-SALICYLIDEN-L-LEUCINATO)-COPPER(I' non-polymer        33  18 .
CUZ      CUZ '(MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ' non-polymer         5   5 .
CVB      CVB '4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACI' non-polymer        22  14 .
CVI      CVI 'CRYSTAL VIOLET                      ' non-polymer        58  28 .
CVM      CVM 'CYMAL-4                             ' non-polymer        73  33 .
CW1      CW1 'Cotylenin A                         ' non-polymer        98  46 .
CWR      CWR '(4-methyl-5-oxo-2,5-dihydro-1H-imida' non-polymer        18  11 .
CX1      CX1 'N-[(benzyloxy)carbonyl]-L-histidyl-N' non-polymer        79  45 .
CX4      CX4 '7-chloro-N-(cyclopropylmethyl)quinaz' non-polymer        28  16 .
CX6      CX6 '2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOX' non-polymer        31  18 .
CXA      CXA 'PHENYLALANINE-N-SULFONAMIDE         ' non-polymer        27  16 .
CXB      CXB '[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZ' non-polymer        28  17 .
CXE      CXE 'PENTAETHYLENE GLYCOL MONODECYL ETHER' non-polymer        68  26 .
CXF      CXF 'CYCLOHEXYLFORMAMIDE                 ' non-polymer        22   9 .
CXL      CXL 'CYCLOHEXANOL                        ' non-polymer        19   7 .
CXM      CXM 'N-CARBOXYMETHIONINE                 ' M-peptide          22  12 .
CXN      CXN 'CLOXACILLIN                         ' non-polymer        46  29 .
CXO      CXO 'CYCLOHEXANE-1,2-DIONE               ' non-polymer        16   8 .
CXP      CXP 'CYCLOHEXANE PROPIONIC ACID          ' non-polymer        26  11 .
CXR      CXR 'CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE ' non-polymer        54  35 .
CXS      CXS '3-CYCLOHEXYL-1-PROPYLSULFONIC ACID  ' non-polymer        33  14 .
CXT      CXT 'CARBOXYATRACTYLOSIDE                ' non-polymer        95  51 .
CXX      CXX '3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-' non-polymer        45  22 .
CXY      CXY 'CYTIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE ' non-polymer        55  34 .
CXZ      CXZ '4-chloro-6-{5-[(2-morpholin-4-ylethy' non-polymer        47  27 .
CY0      CY0 'S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMIN' peptide            49  29 .
CY1      CY1 'ACETAMIDOMETHYLCYSTEINE             ' peptide            23  12 .
CY3      CY3 '2-AMINO-3-MERCAPTO-PROPIONAMIDE     ' non-polymer        15   7 .
CY4      CY4 'S-BUTYRYL-CYSTEIN                   ' peptide            24  12 .
CY6      CY6 'N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL' non-polymer        82  40 .
CY7      CY7 'S-{(1S)-3-{[(4Z)-4-{[3-CHLORO-4-(PYR' non-polymer        82  47 .
CY9      CY9 '"(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15' non-polymer        74  37 .
CYB      CYB 'PHYCOUROBILIN                       ' non-polymer        80  42 .
CYC      CYC 'PHYCOCYANOBILIN                     ' non-polymer        81  43 .
CYD      CYD '2-AMINO-6-(CYSTEIN-S-YL)-5-OXO-HEXAN' peptide            31  17 .
CYE      CYE '.                                   ' non-polymer       124  69 .
CYF      CYF '"5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULF' non-polymer        58  36 .
CYG      CYG '2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANY' peptide            28  16 .
CYH      CYH 'CYCLOHEXANONE                       ' non-polymer        17   7 .
CYI      CYI 'CYCLOHEXYL ISOCYANIDE               ' non-polymer        19   8 .
CYJ      CYJ '"(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL' peptide            49  25 .
CYK      CYK 'N-hexanoyl-L-homocysteine           ' non-polymer        33  15 .
CYN      CYN 'CYANIDE ION                         ' non-polymer         2   2 .
CYQ      CYQ '2-AMINO-3-PHOSPHONOMETHYLSULFANYL-PR' peptide            21  12 .
CYR      CYR 'N~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]' peptide            35  18 .
CYS      CYS 'CYSTINE                             ' peptide            10   6 .
CYT      CYT '6-AMINOPYRIMIDIN-2(1H)-ONE          ' non-polymer        13   8 .
CYU      CYU 'CALYCULIN A                         ' non-polymer       149  70 .
CYV      CYV '"ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-' non-polymer        99  45 .
CYX      CYX '(3-FORMYL-BUT-3-ENYL)-PHOSPHONIC ACI' non-polymer        19  10 .
CYY      CYY '2-DEOXYSTREPTAMINE                  ' non-polymer        25  11 .
CYZ      CYZ 'CYCLOTHIAZIDE                       ' non-polymer        40  24 .
CZ2      CZ2 'S-(DIHYDROXYARSINO)CYSTEINE         ' peptide            17  10 .
CZ3      CZ3 '"1,1'-{hexa-2,4-diyne-1,6-diylbis[ox' non-polymer       128  68 .
CZA      CZA '"(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY' non-polymer        45  25 .
CZB      CZB '(2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2' non-polymer        56  34 .
CZH      CZH 'C2-HYDROPEROXY-COELENTERAZINE       ' non-polymer        55  34 .
CZI      CZI '(2R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYD' non-polymer        56  34 .
CZM      CZM ''N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYL' non-polymer        46  26 .
CZN      CZN '(2S,8R)-8-BENZYL-2-HYDROPEROXY-6-(4-' non-polymer        62  37 .
CZO      CZO '"[(2R,4S)-2-[(1S,2R)-1-amino-2-hydro' non-polymer        44  24 .
CZP      CZP '(8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPE' non-polymer        60  33 .
CZZ      CZZ 'THIARSAHYDROXY-CYSTEINE             ' peptide            15   9 .
D01      D01 '"2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULF' non-polymer        48  31 .
D05      D05 '6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2' non-polymer        45  30 .
D09      D09 '5-[(2R)-2-(2-methoxyphenyl)propyl]fu' non-polymer        40  22 .
D10      D10 'DECANE                              ' non-polymer        32  10 .
D11      D11 'D-PHOSPHOTHREONINE                  ' peptide            19  12 .
D12      D12 'DODECANE                            ' non-polymer        38  12 .
D13      D13 '4-[5-(3-IODO-PHENYL)-2-(4-METHANESUL' non-polymer        43  27 .
D14      D14 '7-chloro-N-[(1S,2R,4S)-4-(dimethylca' non-polymer        66  37 .
D15      D15 'N-(5-{[(2S)-4-amino-2-(3-chloropheny' non-polymer        54  32 .
D16      D16 'TOMUDEX                             ' non-polymer        52  32 .
D17      D17 '"N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3' non-polymer        53  34 .
D18      D18 '2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHY' non-polymer        61  29 .
D19      D19 '2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETH' non-polymer        57  29 .
D1A      D1A 'N-[(1Z,4E)-4-{1-[(E)-carbamimidoyldi' non-polymer        43  28 .
D1B      D1B '"2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}' non-polymer        42  26 .
D1D      D1D '(4S,5S)-1,2-DITHIANE-4,5-DIOL       ' non-polymer        16   8 .
D1G      D1G 'N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2' non-polymer        29  15 .
D1H      D1H '1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL' non-polymer        46  28 .
D1L      D1L '2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PR' non-polymer        32  21 .
D1N      D1N 'NAPHTHALENE-1,2-DIOL                ' non-polymer        20  12 .
D1R      D1R 'NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARB' non-polymer        81  41 .
D1T      D1T 'DECANE-1-THIOL                      ' non-polymer        33  11 .
D1V      D1V '2-mercapto(3H)quinazolinone         ' non-polymer        18  12 .
D1X      D1X '2,6-dioxo-1,2,3,6-tetrahydropyridine' non-polymer        15  11 .
D20      D20 'N~5~-{IMINO[(2-METHOXYETHYL)AMINO]ME' non-polymer        35  16 .
D22      D22 'N-octyloctan-1-amine                ' non-polymer        52  17 .
D23      D23 '6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(' non-polymer        45  26 .
D24      D24 '2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YL' non-polymer        61  33 .
D25      D25 '3-phenyl-5-(1H-pyrazol-3-yl)isoxazol' non-polymer        25  16 .
D26      D26 'PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZ' non-polymer        25  16 .
D27      D27 '2-{[(2E)-3-(3,4-dimethoxyphenyl)prop' non-polymer        40  24 .
D28      D28 '4-{[4-(4-fluoro-3-methylphenyl)-1,3-' non-polymer        36  24 .
D2A      D2A '2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZI' non-polymer        45  27 .
D2C      D2C '(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)' non-polymer        56  31 .
D2G      D2G 'N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)' non-polymer        26  14 .
D2M      D2M '4-(2,6-dimethoxyphenoxy)-2,6-dimetho' non-polymer        40  22 .
D2P      D2P '(2S)-2,3-DICHLOROPROPAN-1-OL        ' non-polymer        12   6 .
D2S      D2S '4,4'-disulfanediyldibenzene-1,3-diol' non-polymer        28  18 .
D2V      D2V '(3S,5Z,7E,22E)-9,10-secoergosta-5,7,' non-polymer        73  29 .
D2X      D2X '3-[(4-hydroxy-2-methylpyrimidin-5-yl' non-polymer        41  26 .
D30      D30 '"[(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(' non-polymer        68  40 .
D31      D31 '2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-' non-polymer        62  31 .
D32      D32 '"(2,3-dimethyl-4-{[2-(prop-2-yn-1-yl' non-polymer        58  36 .
D33      D33 '1-(2-deoxy-5-O-phosphono-beta-D-eryt' DNA                28  17 .
D34      D34 '2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHY' non-polymer        63  31 .
D35      D35 '2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHY' non-polymer        75  35 .
D38      D38 'N~2~-[(2S)-2-{[1-(4-carboxybenzyl)-1' non-polymer        61  32 .
D3       D3  '1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-4-(' DNA                52  32 .
D3E      D3E 'N-cyclopropyl-N-(trans-4-pyridin-3-y' non-polymer        58  31 .
D3F      D3F '2-[(2,4-DICHLORO-5-METHYLPHENYL)SULF' non-polymer        35  28 .
D3G      D3G '(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAM' non-polymer        23  13 .
D3M      D3M '3,6-dichloro-2-methoxybenzoic acid  ' non-polymer        18  13 .
D3P      D3P '(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETI' peptide            21  13 .
D3T      D3T '2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPH' non-polymer        41  28 .
D3X      D3X 'N-hydroxy-2-{[(4-methoxyphenyl)sulfo' non-polymer        57  31 .
D3Z      D3Z '1-(5-deoxy-beta-L-xylofuranosyl)pyri' non-polymer        28  16 .
D42      D42 '1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OX' non-polymer        54  31 .
D4D      D4D '.                                   ' non-polymer        35  24 .
D4G      D4G '.                                   ' non-polymer        22  14 .
D4M      D4M '"[(5R)-5-(5-METHYL-2,4-DIOXO-3,4-DIH' non-polymer        31  20 .
D4N      D4N '1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-' non-polymer        56  30 .
D4P      D4P '(2S)-AMINO(4-HYDROXYPHENYL)ACETIC AC' peptide            20  12 .
D4T      D4T '.                                   ' non-polymer        39  28 .
D55      D55 '4-(2-aminoethoxy)-N-(2,5-diethoxyphe' non-polymer        55  27 .
D56      D56 '4-(2-aminoethoxy)-N-(3-chloro-2-etho' non-polymer        63  31 .
D5G      D5G '(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)' non-polymer        49  24 .
D5M      D5M '2'-DEOXYADENOSINE-5'-MONOPHOSPHATE  ' non-polymer        34  22 .
D64      D64 '6-(4-methylphenyl)quinazoline-2,4-di' non-polymer        33  19 .
D6G      D6G '2-DEOXY-GLUCOSE-6-PHOSPHATE         ' pyranose           26  15 .
D6P      D6P '(3,4,5,7-TETRAHYDROXY-HEPT-1-ENYL)-P' non-polymer        30  15 .
D71      D71 '1-(3-nitrophenyl)-3-(pyridin-4-ylmet' non-polymer        41  28 .
D72      D72 '"(2R)-6,8-dichloro-7-(2-methylpropox' non-polymer        36  24 .
D76      D76 '(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONY' non-polymer        59  35 .
D78      D78 '(5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-met' non-polymer        82  46 .
D7G      D7G '"((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPR' non-polymer        72  35 .
D7K      D7K '3-[(4-amino-2-methylpyrimidin-5-yl)m' non-polymer        64  39 .
D7P      D7P 'D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYH' non-polymer        51  26 .
D8G      D8G '"6-(2-fluorobenzyl)-2,4-dimethyl-4,6' non-polymer        37  23 .
D8W      D8W '5-[(phenylsulfonyl)amino]-1,3,4-thia' non-polymer        27  19 .
D8Y      D8Y '3-[2-(3-chlorophenyl)ethyl]pyridin-2' non-polymer        29  16 .
D91      D91 '5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDI' non-polymer        64  37 .
D92      D92 'N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-C' non-polymer        58  32 .
D93      D93 'N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-C' non-polymer        58  32 .
D94      D94 '3-[cis-3-(4-methylpiperazin-1-yl)cyc' non-polymer        68  37 .
D9G      D9G 'N-DODECYL-N,N-DIMETHYLGLYCINATE     ' non-polymer        52  19 .
D9Z      D9Z '5-(2-chlorophenyl)-1,3,4-thiadiazole' non-polymer        22  16 .
DA1      DA1 'PYRIDINE-2,5-DIAMINE                ' non-polymer        15   8 .
DA2      DA2 'NG,NG-DIMETHYL-L-ARGININE           ' non-polymer        31  14 .
DA3      DA3 '.                                   ' non-polymer        22  14 .
DA4      DA4 '3-ethynylbenzenesulfonamide         ' non-polymer        19  12 .
DA5      DA5 '5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHY' non-polymer        45  24 .
DA6      DA6 '6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHY' non-polymer        45  24 .
DA7      DA7 '5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO' non-polymer        43  24 .
DA8      DA8 '"octyl 3-deoxy-2-O-(6-deoxy-alpha-L-' non-polymer        67  29 .
DA9      DA9 '2-azido-N-(2-sulfanylethyl)ethanamid' non-polymer        18  10 .
DAA      DAA '8-AMINO-7-CARBOXYAMINO-NONANOIC ACID' non-polymer        38  20 .
DAB      DAB '2,4-DIAMINOBUTYRIC ACID             ' peptide            17   8 .
DAC      DAC '2-DECENOYL N-ACETYL CYSTEAMINE      ' non-polymer        43  18 .
DA       DA  '2'-DEOXYADENOSINE-5'-MONOPHOSPHATE  ' DNA                34  22 .
DAD      DAD '2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHA' non-polymer        41  29 .
DAE      DAE 'O,P-DINITROPHENYL AMINOETHYLDIPHOSPH' non-polymer        36  28 .
DAF      DAF '1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-' pyranose           44  21 .
DAG      DAG '4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRA' pyranose           24  11 .
DAH      DAH '3,4-DIHYDROXYPHENYLALANINE          ' peptide            24  14 .
DAI      DAI '"(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-' non-polymer        53  28 .
DAJ      DAJ 'DECARBAMOYL-2,7-DIAMINOMITOSENE     ' non-polymer        34  18 .
DAK      DAK '4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA  ' non-polymer       104  61 .
DAL      DAL 'D-ALANINE                           ' peptide            12   6 .
DAM      DAM 'N-METHYL-ALPHA-BETA-DEHYDROALANINE  ' non-polymer        13   7 .
DAN      DAN '2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMI' non-polymer        36  20 .
DAO      DAO 'LAURIC ACID                         ' non-polymer        37  14 .
DAP      DAP '6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE' non-polymer        36  21 .
DAQ      DAQ 'O,P-DINITROPHENYL AMINOPROPYLDIPHOSP' non-polymer        39  29 .
DAR      DAR 'D-ARGININE                          ' peptide            26  12 .
DAS      DAS 'D-ASPARTIC ACID                     ' peptide            14   9 .
DAT      DAT '2'-DEOXYADENOSINE-5'-DIPHOSPHATE    ' non-polymer        38  26 .
DAU      DAU '2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA' non-polymer        60  36 .
DAV      DAV 'DELTA-AMINO VALERIC ACID            ' non-polymer        19   8 .
DAX      DAX '5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-' non-polymer        45  24 .
DAY      DAY '1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS' non-polymer        72  36 .
DAZ      DAZ 'diaminozinc                         ' non-polymer         7   3 .
DB0      DB0 'N-(DIBENZO[B,F]OXEPIN-10-YLMETHYL)-N' non-polymer        38  21 .
DB1      DB1 '2,3-DIHYDROXYBENZAMIDE              ' non-polymer        18  11 .
DB9      DB9 '2-{4'-[AMINO(IMINO)METHYL]BIPHENYL-3' non-polymer        45  27 .
DBA      DBA '(2,6-DIMETHYL-PHENOXY)-ACETIC ACID  ' non-polymer        24  13 .
DBB      DBB 'D-ALPHA-AMINOBUTYRIC ACID           ' peptide            15   7 .
DBC      DBC '(4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-' non-polymer        20  10 .
DBD      DBD '"7-(1,1-DIOXO-1H-BENZO[D]ISOTHIAZOL-' non-polymer        43  31 .
DBE      DBE 'bis(4-hydroxyphenyl)methanone       ' non-polymer        26  16 .
DBF      DBF 'DIBENZOFURAN-4,6-DICARBOXYLIC ACID  ' non-polymer        25  19 .
DBG      DBG '"3-AMINOBENZOPHENONE-4-YL-AMINOHYDRO' non-polymer        73  47 .
DBH      DBH '2,3-DIHYDROXY-BENZOIC ACID          ' non-polymer        16  11 .
DBI      DBI '"PHOSPHORIC ACID MONO-[5-(5,6-DIMETH' non-polymer        41  24 .
DBK      DBK '"(3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyl' non-polymer        96  44 .
DBL      DBL 'DEGLUCOBALHIMYCIN                   ' non-polymer       155  91 .
DBM      DBM '9-(6-DEOXY-BETA-D-ALLOFURANOSYL)-6-M' non-polymer        36  20 .
DBN      DBN '6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{' non-polymer        50  30 .
DBO      DBO 'N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-' non-polymer        70  38 .
DBP      DBP '1,3-DIAMINOBENZYL PHENYLALANINE     ' non-polymer        19   9 .
DBQ      DBQ 'DEBROMOHYMENIALDISINE               ' non-polymer        29  18 .
DBR      DBR '"ADAMANTANE-1-CARBOXYLIC ACID-5-DIME' non-polymer        71  34 .
DBS      DBS '2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYD' non-polymer        27  17 .
DBT      DBT '5-HEPTYL-6-HYDROXY-1,3-BENZOTHIAZOLE' non-polymer        36  19 .
DBU      DBU '(2E)-2-AMINOBUT-2-ENOIC ACID        ' non-polymer        13   7 .
DBV      DBV '15,16-DIHYDROBILIVERDIN             ' non-polymer        77  43 .
DBW      DBW '4,14-dihydro-8H-[1,3]dioxolo[4,5-g]i' non-polymer        38  23 .
DBX      DBX '2,5-dihydroxybenzenesulfonic acid   ' non-polymer        18  12 .
DBY      DBY '3,5 DIBROMOTYROSINE                 ' peptide            23  15 .
DBZ      DBZ '3-(BENZOYLAMINO)-L-ALANINE          ' non-polymer        26  15 .
DC2      DC2 'N-acetyl-S-[(1S)-1,2-dichloroethyl]-' non-polymer        24  14 .
DC8      DC8 '(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDRO' non-polymer        39  23 .
DCA      DCA 'DESULFO-COENZYME A                  ' non-polymer        79  47 .
DCB      DCB '2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-B' non-polymer        58  35 .
DCC      DCC 'DODECYL-COA                         ' non-polymer       115  61 .
DC       DC  '2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE   ' DNA                32  20 .
DCD      DCD 'DIETHYLCARBAMODITHIOIC ACID         ' non-polymer        19   8 .
DCE      DCE '1,2-DICHLOROETHANE                  ' non-polymer         8   4 .
DCF      DCF '2'-DEOXYCOFORMYCIN                  ' non-polymer        35  19 .
DCH      DCH '3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-' non-polymer        63  32 .
DCI      DCI '2-METHYL-BUTYLAMINE                 ' non-polymer        19   6 .
DCL      DCL '2-AMINO-4-METHYL-PENTAN-1-OL        ' non-polymer        23   8 .
DCM      DCM '2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE   ' non-polymer        32  20 .
DCN      DCN 'DICLOSAN                            ' non-polymer        24  16 .
DCO      DCO '3,3-DICHLORO-2-PHOSPHONOMETHYL-ACRYL' non-polymer        16  12 .
DCP      DCP '2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE    ' non-polymer        40  28 .
DCQ      DCQ '2-decyl-5,6-dimethoxy-3-methylcycloh' non-polymer        53  23 .
DCR      DCR 'icosanoic acid                      ' non-polymer        61  22 .
DCS      DCS 'D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer        36  22 .
DCT      DCT '.                                   ' non-polymer        39  27 .
DCU      DCU '.                                   ' non-polymer        80  36 .
DCX      DCX 'DECYL(DIMETHYL)PHOSPHINE OXIDE      ' non-polymer        41  14 .
DCY      DCY 'D-CYSTEINE                          ' peptide            13   7 .
DCZ      DCZ '2'-DEOXYCYTIDINE                    ' non-polymer        29  16 .
DD1      DD1 '5-{[1-(2-fluorobenzyl)piperidin-4-yl' non-polymer        52  28 .
DD2      DD2 '5-{[1-(2,3-dichlorobenzyl)piperidin-' non-polymer        52  29 .
DD3      DD3 '5-[(1S)-1-(3-chlorophenyl)ethoxy]qui' non-polymer        37  22 .
DD9      DD9 'nonane                              ' non-polymer        29   9 .
DDA      DDA '2,6-DIDEOXY-BETA-D-GLUCOSE          ' pyranose           22  10 .
DDC      DDC '7-HYDROXY-2-PHENYL-CHROMAN-4-ONE    ' non-polymer        30  18 .
DDD      DDD '"(5R,10S)-5-{[(CARBOXYMETHYL)AMINO]C' non-polymer        37  22 .
DDE      DDE '"{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-1H-' peptide            44  21 .
DDF      DDF '5,10-DIDEAZATETRAHYDROFOLIC ACID    ' non-polymer        55  32 .
DDG      DDG '2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSP' non-polymer        34  22 .
DDH      DDH '[7,12-DEACETYL-3,8,13,17-TETRAMETHYL' non-polymer        75  45 .
DDI      DDI '.                                   ' non-polymer        70  39 .
DDL      DDL '2,6-DIDEOXY-BETA-D-GALACTOSE        ' pyranose           22  10 .
DDN      DDN '3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOP' DNA                33  20 .
DDO      DDO '6-HYDROXY-D-NORLEUCINE              ' non-polymer        22  10 .
DDP      DDP '2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE ' non-polymer        16  10 .
DDQ      DDQ 'DECYLAMINE-N,N-DIMETHYL-N-OXIDE     ' non-polymer        41  14 .
DDR      DDR '(2S)-3-hydroxypropane-1,2-diyl didec' non-polymer        72  28 .
DDS      DDS '.                                   ' non-polymer        41  29 .
DDT      DDT 'N,O-DIDANSYL-L-TYROSINE             ' non-polymer        77  45 .
DDU      DDU '2'-5'DIDEOXYURIDINE                 ' non-polymer        27  15 .
DDX      DDX '2',3'-DEHYDRO-2',3'-DIDEOXYRIBOFURAN' non-polymer        19  12 .
DDY      DDY '2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE' non-polymer        35  23 .
DDZ      DDZ '3,3-DIHYDROXY L-ALANINE             ' peptide            14   8 .
DE1      DE1 'DECAN-1-OL                          ' non-polymer        33  11 .
DEA      DEA 'D-ERITADENINE                       ' non-polymer        28  18 .
DEB      DEB '6-DEOXYERYTHRONOLIDE B              ' non-polymer        65  27 .
DEC      DEC 'SEBACIC ACID                        ' non-polymer        30  14 .
DED      DED '2-DIMETHYLAMINO-ETHYL-DIPHOSPHATE   ' non-polymer        24  14 .
DEE      DEE '3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLI' non-polymer        24  12 .
DEF      DEF 'DEFEROXAMINE MESYLATE FE(III) COMPLE' non-polymer        95  46 .
DEG      DEG 'BUTYL ALPHA-D-MANNOPYRANOSIDE       ' non-polymer        36  16 .
DEH      DEH '2,9-dihydroxy-3,10-dimethoxy-5,6-dih' non-polymer        42  24 .
DEI      DEI '(2Z)-2-hydroxy-3-(methylsulfanyl)pro' non-polymer        13   8 .
DEL      DEL '4-DEOXYLACTOSE                      ' saccharide         44  22 .
DEM      DEM 'DECYLOXY-METHANOL                   ' non-polymer        37  13 .
DEN      DEN 'INDENE                              ' non-polymer        17   9 .
DEO      DEO '.                                   ' non-polymer        59  35 .
DEP      DEP 'DIETHYL PHOSPHONATE                 ' non-polymer        19   8 .
DEQ      DEQ 'DEQUALINIUM                         ' non-polymer        74  34 .
DER      DER 'D-4-PHOSPHOERYTHRONIC ACID          ' non-polymer        19  13 .
DES      DES 'DIETHYLSTILBESTROL                  ' non-polymer        40  20 .
DET      DET 'UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE   ' non-polymer        44  15 .
DEU      DEU 'CO(III)-(DEUTEROPORPHYRIN IX)       ' non-polymer        65  39 .
DEX      DEX 'DEXAMETHASONE                       ' non-polymer        57  28 .
DEY      DEY '(2R)-2-({3-[5-hydroxy-2-(3-methylbut' non-polymer        61  36 .
DEZ      DEZ '4-PHOSPHO-D-ERYTHRONATE             ' non-polymer        19  13 .
DF1      DF1 '(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3' non-polymer        46  26 .
DF2      DF2 '(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYD' non-polymer        47  27 .
DF3      DF3 'N-[2-(3-{[2-(2,3-dihydro-1,4-benzodi' non-polymer        63  39 .
DF9      DF9 '(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d' non-polymer        49  26 .
DFA      DFA 'DIPHENYLACETIC ACID                 ' non-polymer        27  16 .
DFB      DFB '2,3-DIFLUOROBENZYL ALCOHOL          ' non-polymer        16  10 .
DFD      DFD 'DECYL FORMATE                       ' non-polymer        35  13 .
DFE      DFE '2-(1,1-DIFLUOROETHOXY)-1,1,1-TRIFLUO' non-polymer        15  10 .
DFI      DFI '2,2-DIFLUOROSTATINE                 ' non-polymer        28  14 .
DFJ      DFJ 'N-({4-[DIFLUORO(PHOSPHONO)METHYL]PHE' non-polymer        75  46 .
DFK      DFK 'D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO' non-polymer        64  30 .
DFL      DFL '2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE  ' non-polymer        30  18 .
DFM      DFM 'N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(' non-polymer        57  33 .
DFN      DFN '3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHE' non-polymer        50  30 .
DFO      DFO '2,2-DIFLUORO-3-HYDROSTATINE         ' non-polymer        29  15 .
DFP      DFP 'DIISOPROPYL PHOSPHONATE             ' non-polymer        25  10 .
DFQ      DFQ '(2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fl' non-polymer        45  28 .
DFR      DFR '3-DEOXY-3-METHYL-D-FRUCTOSE         ' non-polymer        26  12 .
DFT      DFT '1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUOR' DNA                34  21 .
DFU      DFU '(2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4' non-polymer        23  10 .
DFV      DFV '7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROM' non-polymer        31  19 .
DFW      DFW 'N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-' non-polymer        40  26 .
DFX      DFX '1,2-DEOXY-2-FLUORO-XYLOPYRANOSE     ' pyranose           18   9 .
DFY      DFY '(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4' non-polymer        45  26 .
DFZ      DFZ '3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-' non-polymer        43  25 .
DG1      DG1 '(4S)-ISONICOTINIC-ACETYL-NICOTINAMID' non-polymer        85  56 .
DG2      DG2 '2,3-DIPHOSPHOGLYCERIC ACID          ' non-polymer        18  15 .
DG3      DG3 '2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHA' non-polymer        42  30 .
DG6      DG6 '2-DEOXY-GLUCITOL-6-PHOSPHATE        ' non-polymer        28  15 .
DGA      DGA 'DIACYL GLYCEROL                     ' non-polymer       120  44 .
DGB      DGB 'N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]' non-polymer        60  29 .
DGC      DGC '4-DEOXY-ALPHA-L-THREO-HEX-4-ENOPYRAN' non-polymer        19  12 .
DG       DG  '2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE  ' DNA                35  23 .
DGD      DGD 'DIGALACTOSYL DIACYL GLYCEROL (DGDG) ' non-polymer       162  66 .
DGG      DGG '1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEX' non-polymer       124  50 .
DGI      DGI '2'-DEOXYGUANOSINE-5'-DIPHOSPHATE    ' non-polymer        39  27 .
DGL      DGL 'D-GLUTAMIC ACID                     ' peptide            17  10 .
DGN      DGN 'D-GLUTAMINE                         ' peptide            19  10 .
DGP      DGP '2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE  ' non-polymer        35  23 .
DGS      DGS '3,6-ANHYDRO-D-GALACTOSE-2-SULFATE   ' pyranose           25  15 .
DGT      DGT '2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE   ' non-polymer        43  31 .
DGX      DGX 'DIGOXIN                             ' non-polymer       119  55 .
DGY      DGY '(2R)-2,3-DIHYDROXYPROPANOIC ACID    ' non-polymer        12   7 .
DH1      DH1 '2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOX' non-polymer        46  25 .
DH2      DH2 '(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,' non-polymer        34  22 .
DH3      DH3 '.                                   ' non-polymer        48  27 .
DH9      DH9 '(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY' non-polymer        90  36 .
DHA      DHA '2-AMINO-ACRYLIC ACID                ' non-polymer        10   6 .
DHB      DHB '3,4-DIHYDROXYBENZOIC ACID           ' non-polymer        16  11 .
DHC      DHC 'CAFFEIC ACID                        ' non-polymer        20  13 .
DHD      DHD '2,4-DIOXO-PENTANEDIOIC ACID         ' non-polymer        13  11 .
DHE      DHE 'HEME D                              ' non-polymer        77  49 .
DHF      DHF 'DIHYDROFOLIC ACID                   ' non-polymer        51  32 .
DHG      DHG 'PHOSPHONIC ACID 2-DODECANOYLAMINO-HE' non-polymer        69  28 .
DHH      DHH '(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC A' non-polymer        26  12 .
DHI      DHI 'D-HISTIDINE                         ' peptide            20  11 .
DHJ      DHJ '4-(2-CARBOXYETHYL)(HYDROXY)PHOSPHORY' non-polymer        24  15 .
DHK      DHK '3-DEHYDROSHIKIMATE                  ' non-polymer        21  12 .
DHL      DHL '2-AMINO-ETHANETHIOL                 ' non-polymer        11   4 .
DHM      DHM '2,6-DIMETHYL-7-OCTEN-2-OL           ' non-polymer        31  11 .
DHP      DHP '3-DECYL-2,5-DIOXO-4-HYDROXY-3-PYRROL' non-polymer        41  18 .
DHQ      DHQ '3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE ' non-polymer        23  12 .
DHR      DHR '(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANEN' non-polymer        18  11 .
DHS      DHS '3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENE' non-polymer        22  12 .
DHT      DHT '5-ALPHA-DIHYDROTESTOSTERONE         ' non-polymer        51  21 .
DHV      DHV '3-hydroxy-D-valine                  ' peptide            19   9 .
DHY      DHY '2-(3,4-DIHYDROXYPHENYL)ACETIC ACID  ' non-polymer        19  12 .
DHZ      DHZ '3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE NUCLE' non-polymer        30  16 .
DI2      DI2 'AC-(D)PHE-PRO-BOROLYS-OH            ' non-polymer        64  31 .
DI3      DI3 'AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-G' non-polymer        67  33 .
DI4      DI4 'AC-(D)PHE-PRO-BOROHOMOLYS-OH        ' non-polymer        67  32 .
DI5      DI5 'AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH  ' non-polymer        61  30 .
DI6      DI6 '3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]P' non-polymer        19  12 .
DI9      DI9 'DICYCLOPENTYL PHOSPHORAMIDATE       ' non-polymer        35  15 .
DIA      DIA 'OCTANE 1,8-DIAMINE                  ' non-polymer        30  10 .
DIB      DIB '3-AMINO-(DIMETHYLPROPYLAMINE)       ' non-polymer        21   7 .
DIC      DIC '3,4-DICHLOROISOCOUMARIN             ' non-polymer        17  13 .
DI       DI  '2'-DEOXYINOSINE-5'-MONOPHOSPHATE    ' DNA                33  22 .
DID      DID '4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZE' non-polymer        52  26 .
DIE      DIE '2,6-diethylphenol                   ' non-polymer        25  11 .
DIF      DIF '2-[2,6-DICHLOROPHENYL)AMINO]BENZENEA' non-polymer        29  19 .
DIG      DIG '2,5-DIDEOXY-2,5-IMINO-D-GLUCITOL    ' non-polymer        24  11 .
DIH      DIH '3-HYDROXY-4-HYDROXYMETHYL-1-(4-OXO-4' non-polymer        38  19 .
DII      DII 'METHYLPHOSPHONIC ACID DIISOPROPYL ES' non-polymer        28  11 .
DIK      DIK '5-{[4-(5-methyl-3-oxohex-4-en-1-yl)p' non-polymer        45  23 .
DIL      DIL 'D-ISOLEUCINE                        ' peptide            21   9 .
DIM      DIM 'DIIMIDAZOLE LEXITROPSIN             ' non-polymer        46  26 .
DIN      DIN '1,6-DIHYDROXY NAPHTHALENE           ' non-polymer        20  12 .
DIO      DIO '1,4-DIETHYLENE DIOXIDE              ' non-polymer        14   6 .
DIP      DIP 'DIPENTYLAMINE                       ' non-polymer        34  11 .
DIQ      DIQ '2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CA' non-polymer        32  14 .
DIR      DIR '3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AM' peptide            20  11 .
DIT      DIT 'DITERCALINIUM                       ' non-polymer       104  54 .
DIU      DIU '2-HYDROXY-3,5-DIIODO-BENZOIC ACID   ' non-polymer        15  12 .
DIV      DIV 'D-ISOVALINE                         ' peptide            18   8 .
DIX      DIX 'METHYL(CYCLOPENTYL-PROPYL)AMINE     ' non-polymer        29  10 .
DIY      DIY '5-BUTYLPIPERIDINE                   ' non-polymer        29  10 .
DIZ      DIZ '"(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)' non-polymer        46  32 .
DJK      DJK 'N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLI' non-polymer        36  23 .
DJR      DJR '"(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FU' non-polymer        77  39 .
DJZ      DJZ '3,5-dimethyl-4-{[2-({1-[4-(methylsul' non-polymer        64  35 .
DK1      DK1 '5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CA' non-polymer        20  16 .
DK2      DK2 '"2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENY' non-polymer        37  26 .
DK4      DK4 '1-(3-deoxy-3-fluoro-beta-D-glucopyra' non-polymer        32  20 .
DK5      DK5 '1-(2,3-dideoxy-3-fluoro-beta-D-arabi' non-polymer        44  26 .
DKA      DKA 'DECANOIC ACID                       ' non-polymer        31  12 .
DKD      DKD '(2S)-2-(4-phenethylphenoxy)-3-phenyl' non-polymer        47  26 .
DKI      DKI '5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]' non-polymer        41  28 .
DKK      DKK 'N-[2-(carbamimidamidooxy)ethyl]-2-{6' non-polymer        51  31 .
DKT      DKT '"4-[2-(3-BENZYLOXYCARBONYLAMINO-4-CY' non-polymer       110  55 .
DKX      DKX '1-(3-deoxy-3-fluoro-beta-D-glucopyra' non-polymer        32  19 .
DKY      DKY '1-(3-deoxy-3-fluoro-beta-D-glucopyra' non-polymer        45  27 .
DKZ      DKZ '4-amino-1-(3-deoxy-3-fluoro-beta-D-g' non-polymer        33  19 .
DL4      DL4 '(14beta,17alpha,25R)-3-oxocholest-4-' non-polymer        71  30 .
DL6      DL6 '2-AZIDO-N-((2R,3R,4S,5S,6R)-3,4,5-TR' non-polymer        32  18 .
DL7      DL7 '(5beta,14beta,17alpha,25R)-3-oxochol' non-polymer        71  30 .
DL8      DL8 'N-[(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)A' non-polymer        46  26 .
DLE      DLE 'D-LEUCINE                           ' peptide            21   9 .
DLF      DLF '2-DEOXY-ALPHA-L-FUCOPYRANOSIDE      ' pyranose           22  10 .
DLG      DLG 'HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE' pyranose           41  17 .
DLI      DLI '(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHEN' non-polymer        50  31 .
DLN      DLN '3-{[4-amino-1-(1-methylethyl)-1H-pyr' non-polymer        37  22 .
DLP      DLP '1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHO' non-polymer       134  54 .
DLQ      DLQ 'DIHYDROMICROCYSTIN-LA               ' non-polymer       134  65 .
DLS      DLS 'DI-ACETYL-LYSINE                    ' non-polymer        33  16 .
DLY      DLY 'D-LYSINE                            ' peptide            23  10 .
DLZ      DLZ '1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,' non-polymer        41  23 .
DM0      DM0 'N~2~,N~2~,N~6~,N~6~-tetramethyl-L-ly' non-polymer        35  14 .
DM1      DM1 'DAUNOMYCIN                          ' non-polymer        67  38 .
DM2      DM2 'DOXORUBICIN                         ' non-polymer        68  39 .
DM3      DM3 '6-DEOXYDAUNOMYCIN                   ' non-polymer        66  37 .
DM4      DM4 '1-O-DEMETHYL-6-DEOXYDOXORUBICIN     ' non-polymer        64  37 .
DM5      DM5 'IDARUBICIN                          ' non-polymer        63  36 .
DM6      DM6 '4'-EPIDOXORUBICIN                   ' non-polymer        69  39 .
DM7      DM7 '4'-DEOXY-4'-IODODOXORUBICIN         ' non-polymer        68  39 .
DM8      DM8 '2'-BROMO-4'-EPIDAUNORUBICIN         ' non-polymer        67  39 .
DM9      DM9 'N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-D' non-polymer        83  44 .
DMA      DMA 'DIMETHYLALLYL DIPHOSPHATE           ' non-polymer        23  14 .
DMB      DMB '.                                   ' non-polymer        33  20 .
DMC      DMC '3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-' non-polymer        36  18 .
DMD      DMD '5,6-DIMETHYLBENZIMIDAZOLE           ' non-polymer        21  11 .
DME      DME 'DECAMETHONIUM ION                   ' non-polymer        56  18 .
DMF      DMF 'DIMETHYLFORMAMIDE                   ' non-polymer        12   5 .
DMG      DMG 'N,N-DIMETHYLGLYCINE                 ' non-polymer        15   7 .
DMH      DMH 'N4,N4-DIMETHYL-ASPARAGINE           ' peptide            22  11 .
DMI      DMI '2,3-DIMETHYLIMIDAZOLIUM ION         ' non-polymer        16   7 .
DMJ      DMJ '1-DEOXYMANNOJIRIMYCIN               ' non-polymer        24  11 .
DMK      DMK '3,3-DIMETHYL ASPARTIC ACID          ' peptide            20  11 .
DMM      DMM '3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLI' non-polymer        83  46 .
DMN      DMN 'DIMETHYLAMINE                       ' non-polymer        10   3 .
DMO      DMO 'ALPHA-DIFLUOROMETHYLORNITHINE       ' non-polymer        23  12 .
DMP      DMP '[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer        80  42 .
DMQ      DMQ '[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer        76  40 .
DMR      DMR '2-HYDROXY-SUCCINIC ACID             ' non-polymer        13   9 .
DMS      DMS 'DIMETHYL SULFOXIDE                  ' non-polymer        10   4 .
DMT      DMT '3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMIN' M-peptide          35  15 .
DMU      DMU 'DECYL-BETA-D-MALTOPYRANOSIDE        ' non-polymer        75  33 .
DMV      DMV '2,3-DIHYDROXY-VALERIANIC ACID       ' non-polymer        21  10 .
DMW      DMW '2,3-DIMETHYL-1,4-NAPHTHOQUINONE     ' non-polymer        24  14 .
DMX      DMX '3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1' non-polymer        36  17 .
DMY      DMY 'DISTAMYCIN A                        ' non-polymer        62  35 .
DMZ      DMZ '4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYR' non-polymer        40  23 .
DN1      DN1 '"3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)' non-polymer        68  39 .
DN2      DN2 '"3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)' non-polymer        68  39 .
DNA      DNA '1,4-dihydroxy-2-naphthoic acid      ' non-polymer        22  15 .
DNB      DNB '(2S,3S,4R,5R)-2-(3,4-diaminophenyl)-' non-polymer        34  17 .
DNC      DNC '3,5-DINITROCATECHOL                 ' non-polymer        18  14 .
DN       DN  '.                                   ' DNA                21  12 .
DND      DND 'NICOTINIC ACID ADENINE DINUCLEOTIDE ' non-polymer        68  44 .
DNE      DNE 'D-NORLEUCINE                        ' peptide            21   9 .
DNF      DNF '2,4-DINITROPHENOL                   ' non-polymer        17  13 .
DNG      DNG 'N-FORMYL-D-NORLEUCINE               ' non-polymer        23  11 .
DNH      DNH '1R,2R-DIAMINOCYCLOHEXANE            ' non-polymer        22   8 .
DNL      DNL '6-AMINO-HEXANAL                     ' non-polymer        21   8 .
DNM      DNM 'N-METHYL-D-NORLEUCINE               ' non-polymer        24  10 .
DNN      DNN '7,8-DIAMINO-NONANOIC ACID           ' non-polymer        32  13 .
DNO      DNO 'D-mannose                           ' non-polymer        24  12 .
DNP      DNP '3-AMINO-ALANINE                     ' peptide            15   7 .
DNQ      DNQ '6,7-DINITROQUINOXALINE-2,3-DIONE    ' non-polymer        20  18 .
DNR      DNR '.                                   ' DNA                33  20 .
DNS      DNS 'N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]' peptide            50  26 .
DNT      DNT '2-[1-METHYLHEXYL]-4,6-DINITROPHENOL ' non-polymer        38  20 .
DO2      DO2 '5,5-dihydroxy-6-oxo-L-norleucine    ' peptide            22  12 .
DO3      DO3 '10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-T' non-polymer        57  28 .
DO4      DO4 '2,5-DIOXOPENTANOIC ACID             ' non-polymer        14   9 .
DO8      DO8 '3-DEOXY-D-MANNO-2-OCTULOSONATE-8-PHO' non-polymer        32  20 .
DOA      DOA '12-AMINO-DODECANOIC ACID            ' non-polymer        39  15 .
DOB      DOB '2,4-DIHYDROXYBENZOIC ACID           ' non-polymer        16  11 .
DOC      DOC '2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHA' non-polymer        31  19 .
DOD      DOD 'DEUTERATED WATER                    ' non-polymer         7   3 .
DOE      DOE '"(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-AC' non-polymer        80  43 .
DOF      DOF '"(S)-2-(4-NITROBENZYL)-1,4,7,10-TETR' non-polymer        67  38 .
DOG      DOG 'DIGOXIGENIN                         ' non-polymer        62  28 .
DOI      DOI '9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYT' non-polymer        36  26 .
DOL      DOL '5-(2-DIETHYLAMINO-ETHANESULFONYL)-21' non-polymer        98  48 .
DOM      DOM '2'-DEOXYMALTOSE                     ' saccharide         44  22 .
DON      DON '6-DIAZENYL-5-OXO-L-NORLEUCINE       ' peptide            22  12 .
DOP      DOP 'DIOCTYLPHOSPHATE                    ' non-polymer        55  21 .
DOQ      DOQ '"(2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-' non-polymer        40  22 .
DOR      DOR '(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-' non-polymer        16  11 .
DOS      DOS '.                                   ' non-polymer        71  30 .
DOT      DOT '3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'' non-polymer        56  39 .
DOZ      DOZ "(dimethylamino)(hydroxy)zinc'       " non-polymer        12   5 .
DP1      DP1 'L-N(OMEGA)-NITROARGININE-2,4-L-DIAMI' non-polymer        44  22 .
DP2      DP2 'L-LYSYL-N~5~-[(Z)-(2,2-DIHYDROXYHYDR' non-polymer        52  24 .
DP3      DP3 'N-{(4S)-4-AMINO-5-[(2-AMINOETHYL)AMI' non-polymer        38  17 .
DP4      DP4 '(1s,4s)-4-[dimethyl(phenyl)silyl]-1-' non-polymer        40  17 .
DP5      DP5 '1,4-DIMERCAPTO-ALPHA-D-GLUCOPYRANOSY' non-polymer        66  34 .
DP6      DP6 '"(3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOS' non-polymer        28  18 .
DP7      DP7 'AC-(D)PHE-PRO-BOROARG-OH            ' non-polymer        66  33 .
DP9      DP9 'L-N(OMEGA)-NITROARGININE-(4R)-AMINO-' non-polymer        45  23 .
DPA      DPA '.                                   ' non-polymer        34  19 .
DPB      DPB '"(S)-1-[2'-DEOXY-3',5'-O-(1-PHOSPHON' non-polymer        47  28 .
DPC      DPC '"5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-' non-polymer        54  28 .
DPD      DPD '.                                   ' non-polymer        86  38 .
DPE      DPE 'N-UNDECANYLPHOSPHONATE METHYL ESTER ' non-polymer        42  15 .
DPF      DPF 'DIETHYL HYDROGEN PHOSPHATE          ' non-polymer        19   9 .
DPG      DPG '"PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-' non-polymer       152  59 .
DPH      DPH 'DEAMINO-METHYL-PHENYLALANINE        ' non-polymer        23  12 .
DPI      DPI 'DECAPLANIN                          ' non-polymer       195 110 .
DPJ      DPJ 'O,O-DIETHYL HYDROGEN THIOPHOSPHATE  ' non-polymer        20   9 .
DPK      DPK 'DEPRENYL                            ' non-polymer        33  14 .
DPL      DPL '4-OXOPROLINE                        ' P-peptide          15   9 .
DPM      DPM '"3-{2-[4-(2-CARBOXY-ETHYL)-3-CARBOXY' non-polymer        50  30 .
DPN      DPN 'D-PHENYLALANINE                     ' peptide            22  12 .
DPO      DPO 'DIPHOSPHATE                         ' non-polymer         9   9 .
DPP      DPP 'DIAMMINOPROPANOIC ACID              ' peptide            14   7 .
DPQ      DPQ '(S)-2-AMINO-3-(4-HYDROXY-3-OXOCYCLOH' peptide            24  14 .
DPR      DPR 'D-PROLINE                           ' P-peptide          16   8 .
DPS      DPS '"3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PI' non-polymer        64  36 .
DPT      DPT '4,7-DIMETHYL-[1,10]PHENANTHROLINE   ' non-polymer        28  16 .
DPU      DPU 'MIXED CARBAMIC PHOSPHORIC ACID ANHYD' non-polymer        38  20 .
DPV      DPV 'dodecyl 2-(trimethylammonio)ethyl ph' non-polymer        61  23 .
DPW      DPW 'decyl 2-trimethylazaniumylethyl phos' non-polymer        55  21 .
DPX      DPX '"MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDI' non-polymer        43  26 .
DPY      DPY '.                                   ' non-polymer        34  24 .
DPZ      DPZ '3,5-DIAMINOPHTHALHYDRAZIDE          ' non-polymer        22  14 .
DQ1      DQ1 '"ethyl 4-(5-{[(2,4-diaminoquinazolin' non-polymer        58  31 .
DQA      DQA '1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECA' non-polymer        22  13 .
DQB      DQB '"4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQ' non-polymer        49  29 .
DQH      DQH '(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,' non-polymer        34  22 .
DQN      DQN 'DUROQUINONE                         ' non-polymer        24  12 .
DQO      DQO '1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUO' non-polymer        53  33 .
DQQ      DQQ '2,5-DIDEOXY-2,5-IMINO-D-MANNITOL    ' non-polymer        24  11 .
DQR      DQR 'ALPHA-D-FRUCTOFURANOSYL-ALPHA-D-FRUC' pyranose           66  34 .
DQU      DQU '2,6-DIAMINO-3H-QUINAZOLIN-4-ONE     ' non-polymer        21  13 .
DQX      DQX '8-[3,5-difluoro-4-(morpholin-4-ylmet' non-polymer        64  36 .
DR0      DR0 'N-(HYDROXYMETHYL)-N,N-DIMETHYLHEXAN-' non-polymer        33  11 .
DR1      DR1 '5-METHYL-5H-INDOLO[3,2-B]QUINOLINE  ' non-polymer        30  18 .
DR2      DR2 '6-DEOXY-ALPHA-L-IDOPYRANOSYL-(1->2)-' non-polymer        71  36 .
DR3      DR3 '6-DEOXY-ALPHA-L-GLUCOPYRANOSYL-(1->2' non-polymer        73  36 .
DR4      DR4 'METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NO' pyranose           54  24 .
DR5      DR5 'METHYL 4-O-L-GLUCOPYRANOSYL-ALPHA-L-' non-polymer        48  24 .
DR6      DR6 '"ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTY' non-polymer       247 105 .
DR7      DR7 '"(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHY' non-polymer       103  51 .
DR8      DR8 'N,N,N-TRIMETHYLHEPTA-1,3,5-TRIYN-1-A' non-polymer        23  11 .
DR9      DR9 '1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADEC' non-polymer       125  51 .
DRA      DRA '11-DEOXY-BETA-RHODOMYCIN            ' non-polymer       106  55 .
DRB      DRB '.                                   ' non-polymer       116  59 .
DRC      DRC '9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-4' non-polymer        48  26 .
DRD      DRD '"2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAP' non-polymer        75  41 .
DRE      DRE 'N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE  ' non-polymer        44  15 .
DRF      DRF '(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZI' non-polymer        55  31 .
DRG      DRG '5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMI' non-polymer        26  15 .
DRH      DRH '"(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(H' non-polymer        68  33 .
DRI      DRI '4-O-METHYL-2,6-DIDEOXY-BETA-D-GLUCOS' pyranose           25  11 .
DRJ      DRJ '"(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(H' non-polymer        68  33 .
DRK      DRK '3-({[(3S)-3,4-dihydroxybutyl]oxy}ami' non-polymer        46  27 .
DRL      DRL '2-methyl-3,5,7,8-tetrahydro-4H-thiop' non-polymer        22  12 .
DRM      DRM '"{[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROP' non-polymer        34  19 .
DRN      DRN 'BISINDOLYLMALEIMIDE IX              ' non-polymer        56  33 .
DRO      DRO '1-(2-{[(3S)-3-(aminomethyl)-3,4-dihy' non-polymer        72  42 .
DRP      DRP '2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-MON' non-polymer        30  18 .
DRQ      DRQ '(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1' non-polymer        54  24 .
DRR      DRR '.                                   ' non-polymer       100  49 .
DRS      DRS '"(9S,12S)-9-(1-methylethyl)-7,10-dio' non-polymer        51  26 .
DRU      DRU '.                                   ' non-polymer        71  30 .
DRV      DRV '"[(2S,3R,4R,5R)-5-(6-amino-9H-purin-' non-polymer        44  27 .
DRW      DRW '(3S,4R,5S)-5-[(1S,2R)-1-formyl-2-hyd' non-polymer        54  27 .
DRX      DRX '"[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL' non-polymer        43  28 .
DRY      DRY '"[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHT' non-polymer        69  39 .
DRZ      DRZ '3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHAT' DNA                22  13 .
DSA      DSA '"4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETH' non-polymer        60  35 .
DSB      DSB '4,7-DIOXOSEBACIC ACID               ' non-polymer        28  16 .
DSC      DSC 'DODECANESULFONATE ION               ' non-polymer        41  16 .
DSD      DSD '7-(CARBOXYAMINO)-8-AMINO-NONANOIC AC' non-polymer        35  16 .
DSE      DSE 'N-METHYL-D-SERINE                   ' M-peptide          16   8 .
DSG      DSG 'D-ASPARAGINE                        ' peptide            16   9 .
DSI      DSI '"4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-' non-polymer        48  29 .
DSK      DSK '"(2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,' non-polymer        48  22 .
DSM      DSM '3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEP' non-polymer        42  20 .
DSN      DSN 'D-SERINE                            ' peptide            13   7 .
DSO      DSO '"ADAMANTANE-1-CARBOXYLIC ACID-5-DIME' non-polymer        83  38 .
DSR      DSR '2,6-DIDEOXY-4-THIO-BETA-D-ALLOSEPYRA' pyranose           22  10 .
DSS      DSS 'METHYL METHYLSULFINYLMETHYL SULFIDE ' non-polymer        14   6 .
DST      DST 'DIMETHYLALLYL S-THIOLODIPHOSPHATE   ' non-polymer        26  14 .
DSU      DSU '"((2R,3S,4S,5S)-3,4-DIHYDROXY-5-(HYD' non-polymer        74  34 .
DSV      DSV 'N-(dibenzo[b,d]thiophen-3-ylsulfonyl' non-polymer        40  24 .
DSY      DSY '5-(DIMETHYLAMINO)-2-NAPHTHALENESULFO' non-polymer        30  17 .
DT1      DT1 '4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIA' non-polymer        50  28 .
DT2      DT2 '4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZO' non-polymer        48  27 .
DT3      DT3 '(2S,3S)-2,3-DIHYDROXY-4-SULFANYLBUTA' non-polymer        20  11 .
DT4      DT4 '4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2' non-polymer        50  28 .
DT5      DT5 '4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO' non-polymer        47  27 .
DT6      DT6 '2,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-2,4' pyranose           35  17 .
DT7      DT7 '6,7-dimethoxy-3,4-dihydroisoquinolin' non-polymer        34  18 .
DT8      DT8 'N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE-' non-polymer        68  37 .
DTA      DTA '"(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-' non-polymer        62  38 .
DTB      DTB '6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)' non-polymer        32  15 .
DTC      DTC 'BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2' non-polymer        37  25 .
DT       DT  'THYMIDINE-5'-MONOPHOSPHATE          ' DNA                34  21 .
DTD      DTD 'DITHIANE DIOL                       ' non-polymer        16   8 .
DTE      DTE '7-CL-D-TRYPTOPHAN                   ' non-polymer        26  16 .
DTF      DTF '"4-[(10S,14S,18S)-18-(2-AMINO-2-OXOE' non-polymer        94  49 .
DTG      DTG 'DES-AMINO T-BUTYL GLYCINE           ' non-polymer        19   8 .
DTH      DTH 'D-THREONINE                         ' peptide            16   8 .
DTI      DTI '3,4-DIMETHYLTHIAZOLIUM ION          ' non-polymer        15   7 .
DTL      DTL 'D-TREITOL                           ' non-polymer        18   8 .
DTM      DTM '"2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHO' non-polymer        49  27 .
DTN      DTN 'DITHIONITE                          ' non-polymer         6   6 .
DTO      DTO '1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-' non-polymer        19   9 .
DTP      DTP '.                                   ' non-polymer        42  30 .
DTQ      DTQ '4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQU' non-polymer        37  22 .
DTR      DTR 'D-TRYPTOPHAN                        ' peptide            26  15 .
DTT      DTT '2,3-DIHYDROXY-1,4-DITHIOBUTANE      ' non-polymer        18   8 .
DTU      DTU '(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIO' non-polymer        18   8 .
DTV      DTV '(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIO' non-polymer        18   8 .
DTX      DTX 'DIGITOXIGENIN                       ' non-polymer        61  27 .
DTY      DTY 'D-TYROSINE                          ' peptide            23  13 .
DTZ      DTZ 'zinc(II)hydrogensulfide             ' non-polymer         5   3 .
DUM      DUM 'dummy atom                          ' non-polymer         1   1 .
DUC      DUC 'DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE  ' non-polymer        14   8 .
DU       DU  '2'-DEOXYURIDINE-5'-MONOPHOSPHATE    ' DNA                31  20 .
DUD      DUD 'DEOXYURIDINE-5'-DIPHOSPHATE         ' non-polymer        35  24 .
DUN      DUN '.                                   ' non-polymer        39  24 .
DUO      DUO '"4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5' non-polymer        64  37 .
DUP      DUP '.                                   ' non-polymer        42  28 .
DUR      DUR '2'-DEOXYURIDINE                     ' non-polymer        28  16 .
DUT      DUT 'DEOXYURIDINE-5'-TRIPHOSPHATE        ' non-polymer        39  28 .
DUX      DUX '2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE' non-polymer        60  35 .
DVA      DVA 'D-VALINE                            ' peptide            18   8 .
DVP      DVP '"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-' non-polymer        56  32 .
DVR      DVR '"3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSU' non-polymer        40  26 .
DVT      DVT 'DECAVANADATE                        ' non-polymer        38  38 .
DVV      DVV 'DESVANCOSAMINYL VANCOMYCIN          ' non-polymer       152  91 .
DW1      DW1 'Ruthenium pyridocarbazole           ' non-polymer        44  31 .
DW2      DW2 'RU-PYRIDOCARBAZOLE-2                ' non-polymer        44  31 .
DWC      DWC 'PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(' non-polymer        40  31 .
DWZ      DWZ '"(2S,3R,4S)-4-{[(3S,5S)-5-(dimethylc' non-polymer        52  26 .
DX1      DX1 '6,7-bis(1-methylethyl)pteridine-2,4-' non-polymer        36  18 .
DX2      DX2 '6-phenylpteridine-2,4,7-triamine    ' non-polymer        30  19 .
DX3      DX3 '6,7,7-trimethyl-7,8-dihydropteridine' non-polymer        29  15 .
DX4      DX4 '2-amino-1,9-dihydro-6H-purine-6-thio' non-polymer        16  11 .
DX5      DX5 'D-XYLITOL-5-PHOSPHATE               ' non-polymer        25  14 .
DX6      DX6 '2-amino-5-(2-phenylethyl)-3,7-dihydr' non-polymer        33  19 .
DX7      DX7 '2-amino-4-oxo-6-phenyl-4,7-dihydro-3' non-polymer        28  19 .
DX8      DX8 '2-amino-6-(4-methoxyphenyl)-4-oxo-4,' non-polymer        32  21 .
DX9      DX9 '"(2S)-3-(7-carbamimidoylnaphthalen-2' non-polymer        60  33 .
DXA      DXA '1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHO' non-polymer        61  31 .
DXB      DXB '1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHO' non-polymer        52  28 .
DXC      DXC '(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROX' non-polymer        67  28 .
DXD      DXD '(1S,3S,4R)-4-(PHOSPHOOXYMETHYL)-CYCL' DNA                24  13 .
DXE      DXE '1,2-DIMETHOXYETHANE                 ' non-polymer        16   6 .
DXG      DXG '4-DEOXYGLUCARATE                    ' non-polymer        21  13 .
DXI      DXI 'beta-D-glucopyranosyl-(1->4)-beta-D-' non-polymer        66  34 .
DXP      DXP '1-DEOXY-D-XYLULOSE-5-PHOSPHATE      ' non-polymer        22  13 .
DXQ      DXQ '7-[3-(dimethylamino)propoxy]-6-metho' non-polymer        78  35 .
DXR      DXR '3-(3-bromobenzyl)-1-tert-butyl-1H-py' non-polymer        40  22 .
DXT      DXT '(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLA' non-polymer        56  32 .
DXX      DXX 'METHYLMALONIC ACID                  ' non-polymer        12   8 .
DY6      DY6 '"2-({[3-(3,4-dihydroisoquinolin-2(1H' non-polymer        50  31 .
DYB      DYB '4-(1,3,2-DIOXABOROLAN-2-YLOXY)BUTAN-' non-polymer        26  11 .
DYG      DYG '"(3S)-3-amino-3-[(4Z)-1-(carboxymeth' non-polymer        37  24 .
DYH      DYH '"(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-' non-polymer        39  21 .
DYM      DYM '"6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMID' non-polymer        36  20 .
DYN      DYN '.                                   ' non-polymer       104  60 .
DYP      DYP '1-[1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)' non-polymer        59  31 .
DYS      DYS 'S-[5-(2-aminoethyl)-2,3-dihydroxyphe' peptide            33  18 .
DYY      DYY '1-[(2,6-difluorophenyl)sulfonyl]-4-(' non-polymer        48  30 .
DZ1      DZ1 'N-(3,5-dibromo-4-hydroxyphenyl)-2,6-' non-polymer        33  20 .
DZ2      DZ2 '2,5-dichloro-N-(3,5-dibromo-4-hydrox' non-polymer        27  20 .
DZ3      DZ3 'N-(3,5-dibromo-4-hydroxyphenyl)-4-hy' non-polymer        34  21 .
DZ4      DZ4 '"2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hyd' non-polymer        45  30 .
DZ8      DZ8 '2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-' non-polymer        51  29 .
DZ9      DZ9 '3-amino-N-(3-fluorophenyl)-6-thiophe' non-polymer        37  25 .
DZD      DZD '"5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carb' non-polymer        77  44 .
DZE      DZE 'methyl (3S)-3-[(tert-butoxycarbonyl)' non-polymer        36  17 .
DZF      DZF '5-DEAZAFOLIC ACID                   ' non-polymer        50  32 .
DZG      DZG '1-(2,3-dihydro-1,4-benzodioxin-6-yls' non-polymer        52  30 .
DZM      DZM '3-deaza-3-methyladenine             ' DNA                38  23 .
DZN      DZN 'DAIDZIN                             ' non-polymer        50  30 .
DZO      DZO '3-(3-aminophenyl)-N-(3-chlorophenyl)' non-polymer        38  24 .
DZP      DZP '7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYD' non-polymer        33  20 .
DZZ      DZZ 'O,O-DIMETHYL HYDROGEN THIOPHOSPHATE ' non-polymer        14   7 .
E04      E04 '"3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-' non-polymer        62  29 .
E09      E09 '3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL' non-polymer        39  21 .
E10      E10 '.                                   ' non-polymer        76  34 .
E11      E11 'N~4~-(1-benzylpiperidin-4-yl)-N~2~-[' non-polymer        73  35 .
E12      E12 '.                                   ' non-polymer        82  36 .
E13      E13 '"N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethyl' non-polymer       103  50 .
E14      E14 '"(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2' non-polymer        94  45 .
E15      E15 '"(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2' non-polymer        97  46 .
E16      E16 '(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-' non-polymer       100  47 .
E17      E17 '.                                   ' non-polymer       118  56 .
E18      E18 '2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL' non-polymer        38  20 .
E19      E19 'N-{(3R,4S)-4-[(L-alanyl-L-prolyl-L-g' non-polymer       150  72 .
E1H      E1H 'ETHANIMINE                          ' non-polymer         8   3 .
E1P      E1P 'ETHYL OXO(PIPERIDIN-1-YL)ACETATE    ' non-polymer        28  13 .
E1X      E1X '"PHOSPHORIC ACID MONO-[5-(1-ETHYL-2,' DNA                40  25 .
E20      E20 '1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON' non-polymer        57  28 .
E2B      E2B '3-{[(9beta,14beta,16alpha,17alpha)-3' non-polymer        61  30 .
E2M      E2M '"cis-4-{[2-({4-[(1E)-3-morpholin-4-y' non-polymer        70  42 .
E2P      E2P 'PROSTAGLANDIN B2                    ' non-polymer        53  24 .
E36      E36 '2-chloro-5-[(6,7-dihydro-1H-[1,4]dio' non-polymer        42  28 .
E3G      E3G 'ESTRONE BETA-D-GLUCURONIDE          ' non-polymer        61  32 .
E3O      E3O '(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TR' non-polymer        45  21 .
E4D      E4D '(2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHO' non-polymer        62  33 .
E4H      E4H '(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-' non-polymer        49  21 .
E4M      E4M '.                                   ' non-polymer        95  54 .
E4P      E4P 'ERYTHOSE-4-PHOSPHATE                ' non-polymer        19  12 .
E52      E52 'Methylated Ruthenium Pyridocarbazole' non-polymer        65  42 .
E55      E55 '3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[' non-polymer       211  89 .
E64      E64 'N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL' non-polymer        54  25 .
E67      E67 '7-[(5-aminopentyl)oxy]-N~4~-(1-benzy' non-polymer        87  40 .
E6C      E6C 'N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LE' non-polymer        49  22 .
E70      E70 'N-{2-[(4-hydroxyphenyl)amino]pyridin' non-polymer        43  26 .
E72      E72 '7-[(5-aminopentyl)oxy]-N~4~-[1-(5-am' non-polymer        91  39 .
E7B      E7B '.                                   ' non-polymer       121  55 .
E86      E86 '4-{2-[(2-chlorophenyl)amino]-5-methy' non-polymer        54  32 .
E89      E89 '6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]' non-polymer        42  25 .
E96      E96 '4-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZO' non-polymer        50  32 .
E97      E97 '"[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPO' non-polymer        84  44 .
EA1      EA1 '3H-IMIDAZO[2,1-I]PURINE             ' non-polymer        17  12 .
EA2      EA2 'AMINOETHANOLPYROPHOSPHATE           ' non-polymer        18  12 .
EA5      EA5 '"(4S)-4-AMINO-5-[({3-HYDROXY-2-METHY' non-polymer        43  24 .
EAA      EAA 'ETHACRYNIC ACID                     ' non-polymer        30  19 .
EAB      EAB '(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZE' non-polymer        34  20 .
EAD      EAD '.                                   ' non-polymer        88  54 .
EAG      EAG '2-aminoethyl 2-(acetylamino)-2-deoxy' pyranose           38  18 .
EAH      EAH '(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,' non-polymer        54  23 .
EAL      EAL '1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLP' non-polymer        47  25 .
EAM      EAM '2-[(4S)-6-(4-chlorophenyl)-8-methoxy' non-polymer        52  30 .
EAP      EAP '2-AMINO-VINYL-PHOSPHATE             ' non-polymer        12   8 .
EB1      EB1 'SEOCALCITOL                         ' non-polymer        79  33 .
EB4      EB4 '"N,N',N''-[(3S,7S,11S)-2,6,10-trioxo' non-polymer        75  48 .
EBD      EBD '[4-({4-[(5-cyclopropyl-1H-pyrazol-3-' non-polymer        45  26 .
EBG      EBG '2-HYDROXYMETHYL-6-(2-OXIRANYL-ETHOXY' pyranose           35  17 .
EBI      EBI '1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl' non-polymer        58  34 .
EBP      EBP 'DIETHYL 4-METHYLBENZYLPHOSPHONATE   ' non-polymer        35  16 .
EBS      EBS '3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1' non-polymer        50  32 .
EBT      EBT 'N-[(2R,3R)-3-amino-2-hydroxy-4-pheny' non-polymer        45  22 .
EBW      EBW '4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONI' non-polymer        68  30 .
EC2      EC2 '"(2R,3R)-8-CYCLOPROPYL-7-(NAPHTHALEN' non-polymer        55  33 .
EC5      EC5 '"(2R)-2-[5-CYCLOPROPYL-6-(HYDROXYSUL' non-polymer        58  34 .
ECA      ECA 'N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(ME' non-polymer        69  42 .
ECG      ECG '3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2' non-polymer        31  14 .
ECH      ECH 'beta,beta-caroten-4-one             ' non-polymer        95  41 .
E        E   '.                                   ' DNA                71  45 .
ECL      ECL '1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2' non-polymer        39  24 .
ECN      ECN '1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2' non-polymer        39  24 .
ECO      ECO 'ESTRADIOL-6 CARBOXYL-METHYL-OXIME   ' non-polymer        50  26 .
ECQ      ECQ '(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]' non-polymer        28  12 .
ECS      ECS '2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTR' non-polymer        45  21 .
ECT      ECT 'ECTEINASCIDIN 743                   ' non-polymer        97  54 .
ECX      ECX 'S-ethyl-L-cysteine                  ' peptide            19   9 .
ED1      ED1 '.                                   ' non-polymer       100  53 .
ED2      ED2 'N-benzyl-N-(2-{(4-cyanophenyl)[(1-me' non-polymer        62  35 .
ED4      ED4 '"tert-butyl 4-({(2-{(4-cyanophenyl)[' non-polymer        82  42 .
ED5      ED5 '"tert-butyl 4-({(2-{(4-cyanophenyl)[' non-polymer        85  43 .
ED7      ED7 'N-benzyl-N-(2-{(4-cyanophenyl)[(1-me' non-polymer        65  36 .
EDA      EDA '3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5' DNA                36  24 .
EDB      EDB '2-{3-[(5E)-5-{[(2,3-dichlorophenyl)c' non-polymer        49  32 .
EDC      EDC 'N3,N4-ETHENO-2'-DEOXYCYTIDINE-5'-MON' DNA                35  22 .
EDD      EDD '2-[3-(3-tert-butyl-5-{[(2,3-dichloro' non-polymer        54  31 .
EDE      EDE 'EDEINE B                            ' non-polymer       113  55 .
EDM      EDM '6-ethenyl-N,N-dimethyl-2-(methylsulf' non-polymer        28  15 .
EDO      EDO '1,2-ETHANEDIOL                      ' non-polymer        10   4 .
EDR      EDR 'EDROPHONIUM ION                     ' non-polymer        28  12 .
EDT      EDT '{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-' non-polymer        32  20 .
EEA      EEA '"N-{3-[3-(3'-chlorobiphenyl-4-yl)iso' non-polymer        68  41 .
EEB      EEB 'URIDINE-DIPHOSPHATE-3(N-ACETYLGLUCOS' non-polymer        75  45 .
EEC      EEC 'N-[3-(3-phenylisoxazol-5-yl)propanoy' non-polymer        58  34 .
EED      EED '(9BETA,11ALPHA,13ALPHA,14BETA,17ALPH' non-polymer        51  23 .
EEE      EEE 'ETHYL ACETATE                       ' non-polymer        14   6 .
EEF      EEF 'N-(3-biphenyl-4-ylpropanoyl)-L-alpha' non-polymer        62  35 .
EEG      EEG 'N-{3-[4-(4-phenylthiophen-2-yl)pheny' non-polymer        69  40 .
EEM      EEM '[(3S)-3-amino-4-hydroxy-4-oxo-butyl]' non-polymer        50  27 .
EES      EES '3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDA' non-polymer        27  18 .
EFC      EFC 'S,S-(2-FLUOROETHYL)THIOCYSTEINE     ' peptide            20  11 .
EFP      EFP 'N-{1-[cis-3-(acetylamino)cyclobutyl]' non-polymer        47  25 .
EFQ      EFQ 'N-[1-(cis-3-hydroxycyclobutyl)-1H-im' non-polymer        41  22 .
EFS      EFS 'ETHYL DIHYDROGEN PHOSPHATE          ' non-polymer        12   7 .
EFZ      EFZ '(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-' non-polymer        30  21 .
EG1      EG1 'AMINOMETHYLENECARBONYLAMINODI(ETHYLO' non-polymer        50  26 .
EG2      EG2 'AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLB' non-polymer        43  22 .
EG3      EG3 '"PHENYLALANYLAMINODI(ETHYLOXY)ETHYL ' non-polymer        63  33 .
EGB      EGB '(4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHY' non-polymer        39  21 .
EGC      EGC '2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,' non-polymer       100  42 .
EGD      EGD 'N-ETHYLGUANIDINE                    ' non-polymer        15   6 .
EGT      EGT '2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-' non-polymer        36  22 .
EH5      EH5 'N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIH' non-polymer       110  59 .
EH9      EH9 '(2S,3R)-3-(6-amino-9H-purin-9-yl)non' non-polymer        43  20 .
EHA      EHA '(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHY' non-polymer        69  39 .
EHB      EHB '(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzot' non-polymer        29  16 .
EHD      EHD '4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-' non-polymer        42  26 .
EHM      EHM '(2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMI' non-polymer        19  10 .
EHN      EHN 'ETHANE                              ' non-polymer         8   2 .
EI1      EI1 '3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZ' non-polymer        33  19 .
EIC      EIC 'LINOLEIC ACID                       ' non-polymer        51  20 .
EIN      EIN '.                                   ' non-polymer        48  26 .
EIP      EIP '4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE' non-polymer        26  15 .
EIT      EIT '"((3R,4R,5R)-4-(2-(1H-IMIDAZOL-1-YL)' DNA                48  29 .
EJ5      EJ5 '4-[3-(2-amino-4-hydroxy-6-oxo-1,6-di' non-polymer        35  21 .
EJT      EJT '1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)' pyranose           87  46 .
EKB      EKB '6-ethyl-5-[3-(3,4,5-trimethoxyphenyl' non-polymer        47  25 .
EKE      EKE '(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC AC' non-polymer        22  10 .
EKO      EKO '4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2' non-polymer        39  24 .
EL3      EL3 '(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,' non-polymer        39  15 .
ELA      ELA '9-OCTADECENOIC ACID                 ' non-polymer        53  20 .
EL       EL  'ELLIPTICINE                         ' non-polymer        34  19 .
ELD      ELD '(9E)-OCTADEC-9-ENAMIDE              ' non-polymer        55  20 .
ELI      ELI '6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAP' non-polymer        38  21 .
ELP      ELP '"(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5' non-polymer        46  28 .
ELV      ELV '"6-(3-chloro-2-fluorobenzyl)-1-[(1S)' non-polymer        53  31 .
EM1      EM1 '.                                   ' non-polymer       125  60 .
EMA      EMA '(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPH' non-polymer        37  26 .
EMB      EMB 'METHYL-CARBAMIC ACID ETHYL ESTER    ' non-polymer        16   7 .
EMC      EMC 'ETHYL MERCURY ION                   ' non-polymer         8   3 .
EMD      EMD '5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4' non-polymer        53  30 .
EMF      EMF 'ethyl (1S,2S)-2-(4-hydroxy-3-methoxy' non-polymer        33  17 .
EML      EML '2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol' non-polymer        56  30 .
EMM      EMM '[METHYL(VINYL)AMINO]METHANOL        ' non-polymer        14   7 .
EMN      EMN '(2S)-1-{[(2S)-3-(2-methoxyethoxy)-2-' non-polymer        37  14 .
EMO      EMO '3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINO' non-polymer        30  20 .
EMP      EMP '2,4-DIDEOXY-4-(ETHYLAMINO)-3-O-METHY' non-polymer        29  12 .
EMQ      EMQ '1-[2-(dimethylamino)ethyl]-3-{[(2R,4' non-polymer        65  34 .
EMR      EMR 'N-AMINOETHYLMORPHOLINE              ' non-polymer        23   9 .
EMT      EMT '2-(ETHYLMERCURI-THIO)-BENZOIC ACID  ' non-polymer        22  13 .
EMU      EMU 'N-BENZYL-9H-PURIN-6-AMINE           ' non-polymer        28  17 .
EN1      EN1 '(2E)-2-hydroxy-3-(4-hydroxyphenyl)pr' non-polymer        20  13 .
ENA      ENA 'ETHENO-NAD                          ' non-polymer        73  46 .
ENB      ENB '"ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-' non-polymer        82  40 .
ENC      ENC 'ETHYL ISOCYANIDE                    ' non-polymer        10   4 .
END      END '1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,' non-polymer        48  24 .
ENE      ENE '(4Z)-2,8:7,12:11,15:14,18:17,22-PENT' non-polymer        60  30 .
ENH      ENH '1,7,8,9,10,10-HEXACHLORO-4-METHYL-4-' non-polymer        24  19 .
ENL      ENL '(1R,2S,3R,4S)-7-oxabicyclo[2.2.1]hep' non-polymer        21  13 .
ENM      ENM '(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3' non-polymer        68  32 .
ENO      ENO '3-(4-HYDROXY-PHENYL)PYRUVIC ACID    ' non-polymer        20  13 .
ENP      ENP 'ETHENO-NADP                         ' non-polymer        62  42 .
ENQ      ENQ '"[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H' non-polymer        60  38 .
ENS      ENS '"methyl (2Z)-3-[(3-chloro-1H-indol-7' non-polymer        65  36 .
ENT      ENT '"3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3' non-polymer        49  26 .
ENV      ENV '(2R)-N-{3-[(5-fluoro-4-oxopentyl)ami' non-polymer        47  22 .
ENW      ENW '"2-({N-[(2S)-2,4-dihydroxy-3,3-dimet' non-polymer        45  22 .
ENX      ENX 'ENACYLOXIN IIA                      ' non-polymer        91  47 .
EOA      EOA 'N-PHENETHYL-FORMAMIDE               ' non-polymer        22  11 .
EOB      EOB '{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-' non-polymer        36  22 .
EOD      EOD '11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDE' non-polymer        54  21 .
EOH      EOH 'ETHANOL                             ' non-polymer         9   3 .
EOM      EOM 'ETHYLOXYMETHOXYL                    ' non-polymer        12   5 .
EOP      EOP '{ETHANE-1,2-DIYLBIS[IMINO(2-OXOETHAN' non-polymer        32  18 .
EOT      EOT '"[(1-[(BIS-CARBOXYMETHYL-AMINO)-METH' non-polymer        58  34 .
EOV      EOV '.                                   ' non-polymer       196  85 .
EOZ      EOZ '3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZO' non-polymer        38  25 .
EP0      EP0 'N-[(3R)-4-ethoxy-3-hydroxy-4-oxobuta' non-polymer        53  26 .
EP1      EP1 '3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]' non-polymer        36  16 .
EP2      EP2 '"methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-' non-polymer        81  41 .
EPA      EPA '5,8,11,14,17-EICOSAPENTAENOIC ACID  ' non-polymer        51  22 .
EPB      EPB '7,11-DIHYDROXY-8,8,10,12,16-PENTAMET' non-polymer        76  35 .
EPC      EPC '"(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5' non-polymer        36  22 .
EP       EP  'EPOTHILONE A                        ' non-polymer        73  34 .
EPD      EPD 'EPOTHILONE D                        ' non-polymer        75  34 .
EPE      EPE '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHA' non-polymer        33  15 .
EPG      EPG '2-HYDROXYMETHYL-6-OXIRANYLMETHOXY-TE' pyranose           32  16 .
EPH      EPH 'L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAM' non-polymer       116  49 .
EPI      EPI '4-ETHYLPIPERIDINE                   ' non-polymer        23   8 .
EPJ      EPJ 'EPIBATIDINE                         ' non-polymer        27  14 .
EPL      EPL 'DIETHYL 4-METHOXYPHENYL PHOSPHATE   ' non-polymer        34  17 .
EPM      EPM 'N-PALMITOYL-L-METHIONINE            ' non-polymer        66  26 .
EPN      EPN '3-(4-NITRO-PHENOXY)-PROPAN-1-OL     ' non-polymer        25  14 .
EPO      EPO '(2R,3R)-oxirane-2,3-dicarboxylic aci' non-polymer        11   9 .
EPQ      EPQ '(4S)-4-amino-6-fluoro-N,N-dimethyl-5' non-polymer        28  13 .
EPS      EPS '"5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY-3' non-polymer        30  21 .
EPT      EPT 'HEPTANYL-P-PHENOL                   ' non-polymer        34  14 .
EPU      EPU 'URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOS' non-polymer        70  44 .
EPX      EPX 'EPOXOMICIN                          ' non-polymer       103  46 .
EPY      EPY '1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-NI' non-polymer        58  34 .
EQH      EQH '"cis-4-[3-amino-6-(3-cyclopropylthio' non-polymer        44  24 .
EQI      EQI 'EQUILIN                             ' non-polymer        40  20 .
EQN      EQN '"4-{[(5,5,8,8-tetramethyl-5,6,7,8-te' non-polymer        50  26 .
EQO      EQO '"4-{(E)-2-[5,5-dimethyl-8-(phenyleth' non-polymer        54  31 .
EQP      EQP '"(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-' non-polymer        41  21 .
EQU      EQU 'EQUILENIN                           ' non-polymer        38  20 .
ER3      ER3 'ERBIUM (III) ION                    ' non-polymer         1   1 .
ERD      ERD '(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIH' non-polymer        33  21 .
ERE      ERE '(1R,3S,4R,5S)-3-amino-2,3,6-trideoxy' pyranose           26  11 .
ERG      ERG 'ERGOSTEROL                          ' non-polymer        73  29 .
ERI      ERI '4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-BE' non-polymer        30  14 .
ERN      ERN '.                                   ' non-polymer       121  51 .
ERT      ERT '"METHYL (4R)-2-ETHYL-2,5,12-TRIHYDRO' non-polymer        80  43 .
ERU      ERU '(13Z)-docos-13-enamide              ' non-polymer        67  24 .
ERY      ERY 'ERYTHROMYCIN A                      ' non-polymer       118  51 .
ES0      ES0 '2-amino-1H-benzimidazol-7-ol        ' non-polymer        18  11 .
ES1      ES1 'quinolin-4-ol                       ' non-polymer        18  11 .
ES2      ES2 '6-chloro-1,3-dihydro-2H-indol-2-one ' non-polymer        17  11 .
ES3      ES3 '4-bromo-1H-imidazole                ' non-polymer         9   6 .
ES4      ES4 '6-chloro-9H-purine                  ' non-polymer        13  10 .
ES5      ES5 'quinolin-6-amine                    ' non-polymer        19  11 .
ES6      ES6 '2-oxo-1,2-dihydropyridine-3-carboxyl' non-polymer        14  10 .
ES7      ES7 '1-methyl-1H-benzimidazol-2-amine    ' non-polymer        20  11 .
ES9      ES9 '5-chloro-1H-benzimidazole           ' non-polymer        15  10 .
ESA      ESA 'ETHANESULFONIC ACID                 ' non-polymer        12   6 .
ESB      ESB '3-[(3E)-3-(ETHYLIMINO)-4-HYDROXY-6-O' peptide            30  17 .
ESC      ESC '2-AMINO-4-ETHYL SULFANYL BUTYRIC ACI' peptide            22  10 .
ESD      ESD '(2-AMINO-ETHYLSULFANYL)-ACETIC ACID ' non-polymer        16   8 .
ESG      ESG 'L-gamma-glutamyl-S-[(3S)-1-ethyl-2,5' non-polymer        51  29 .
ESH      ESH '"4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLO' non-polymer        63  32 .
ESI      ESI '4-IODOBENZO[B]THIOPHENE-2-CARBOXAMID' non-polymer        21  13 .
ESL      ESL 'ESTRIOL                             ' non-polymer        45  21 .
ESM      ESM '1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRI' non-polymer        48  22 .
ESO      ESO 'O3-PHOSPHONOESTRONE                 ' non-polymer        45  24 .
ESP      ESP 'THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDIN' non-polymer        20  12 .
ESR      ESR 'ESTRADIOL                           ' non-polymer        46  20 .
EST      EST 'ESTRADIOL                           ' non-polymer        44  20 .
ESX      ESX 'BENZO[B]THIOPHENE-2-CARBOXAMIDINE   ' non-polymer        21  12 .
ESY      ESY '"benzyl N-[(benzyloxy)carbonyl]-L-al' non-polymer        86  43 .
ET0      ET0 '3-(5-methoxy-1H-indol-3-yl)propanoic' non-polymer        28  16 .
ET1      ET1 '3-{5-methoxy-1-[(4-methoxyphenyl)sul' non-polymer        45  27 .
ET2      ET2 '6-fluoro-1H-benzimidazol-2-amine    ' non-polymer        17  11 .
ETA      ETA 'ETHANOLAMINE                        ' non-polymer        11   4 .
ETB      ETB 'Ethyl Coenzyme A                    ' non-polymer        76  46 .
ETC      ETC '(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TET' non-polymer        48  24 .
ET       ET  'ETHIDIUM                            ' non-polymer        44  24 .
ETE      ETE '2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-E' non-polymer        34  14 .
ETF      ETF 'TRIFLUOROETHANOL                    ' non-polymer         9   6 .
ETG      ETG '(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethyl' non-polymer        79  38 .
ETI      ETI 'IODOETHANE                          ' non-polymer         8   3 .
ETM      ETM '2-(TRIMETHYLAMMONIUM)ETHYL THIOL    ' non-polymer        21   7 .
ETN      ETN 'METHYLETHYLAMINE                    ' non-polymer        13   4 .
ETP      ETP '3-(4-BENZENESULFONYL-THIOPHENE-2-SUL' non-polymer        41  27 .
ETQ      ETQ '3-chloro-5-ethyl-N-{[(2S)-1-ethylpyr' non-polymer        48  23 .
ETR      ETR 'N-ETHYL RETINAMIDE                  ' non-polymer        57  24 .
ETS      ETS '(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDR' non-polymer        35  19 .
ETV      ETV '4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDRO' non-polymer        26  16 .
ETX      ETX '2-ETHOXYETHANOL                     ' non-polymer        16   6 .
ETY      ETY '4-ethylphenol                       ' non-polymer        19   9 .
EU3      EU3 'EUROPIUM (III) ION                  ' non-polymer         1   1 .
EU       EU  'EUROPIUM ION                        ' non-polymer         1   1 .
EUD      EUD 'EUDESMANE CATION                    ' non-polymer        41  15 .
EUG      EUG '2-METHOXY-4-VINYL-PHENOL            ' non-polymer        21  11 .
EV0      EV0 '2-amino-6-propylpyrimidin-4(3H)-one ' non-polymer        22  11 .
EV1      EV1 '1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOX' non-polymer        46  25 .
EV2      EV2 '3-pyrrolidin-1-ylquinoxalin-2-amine ' non-polymer        30  16 .
EV3      EV3 '3-(2-amino-5-chloro-1H-benzimidazol-' non-polymer        27  15 .
EV4      EV4 '4-(2-amino-5-chloro-1H-benzimidazol-' non-polymer        49  24 .
EV5      EV5 '(3S)-3-(2-amino-5-chloro-1H-benzimid' non-polymer        52  25 .
EV6      EV6 '(3R)-3-(2-amino-5-chloro-1H-benzimid' non-polymer        57  28 .
EVA      EVA '(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxo' non-polymer        21  13 .
EVS      EVS '16-epi-Vellosimine                  ' non-polymer        42  22 .
EXO      EXO '(1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE' non-polymer        23  11 .
EXT      EXT '"{5-hydroxy-6-methyl-4-[(E)-{[2-(pho' non-polymer        35  23 .
EXY      EXY '6-[(2R)-oxiran-2-yl]-L-norleucine   ' peptide            26  12 .
EY5      EY5 '.                                   ' non-polymer       114  49 .
EYK      EYK '2-tert-butylbenzene-1,4-diol        ' non-polymer        26  12 .
EYS      EYS 'S-SELANYLCYSTEINAL                  ' non-polymer        15   7 .
EZL      EZL '6-ethoxy-1,3-benzothiazole-2-sulfona' non-polymer        26  16 .
EZR      EZR '3-methoxy-4-{3-[4-(4-methylpiperazin' non-polymer        61  34 .
EZT      EZT '(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETH' non-polymer        61  32 .
EZV      EZV '4-{3-[7-(4-methylpiperazin-1-yl)-1H-' non-polymer        57  32 .
F01      F01 '4-amino-1-[(2R,3R,4S,5R)-3,4-dihydro' non-polymer        30  18 .
F09      F09 'NONAN-1-OL                          ' non-polymer        30  10 .
F10      F10 '2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1' non-polymer        37  23 .
F11      F11 'N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-' non-polymer        71  35 .
F12      F12 '2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLI' non-polymer        18  12 .
F13      F13 '3-fluoro-N-[3-(1H-tetrazol-5-yl)phen' non-polymer        31  21 .
F15      F15 'PENTADECANOIC ACID                  ' non-polymer        46  17 .
F16      F16 '5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-' non-polymer        22  15 .
F17      F17 'N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDRO' non-polymer        77  48 .
F18      F18 '4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)' non-polymer        26  16 .
F19      F19 '2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL D' non-polymer        33  21 .
F1G      F1G '"1-METHYL-3-TRIFLUOROMETHYL-1H-THIEN' non-polymer        29  19 .
F1H      F1H 'N-(1-benzylpiperidin-4-yl)-4-sulfany' non-polymer        44  20 .
F1I      F1I 'N-[1-(2,6-dimethoxybenzyl)piperidin-' non-polymer        52  24 .
F1J      F1J '(2S)-4-(4-fluorobenzyl)-N-(2-sulfany' non-polymer        40  20 .
F1K      F1K '(2S)-4-(4-fluorobenzyl)-N-(3-sulfany' non-polymer        43  21 .
F1L      F1L 'N-[1-(5-bromo-2,3-dimethoxybenzyl)pi' non-polymer        52  25 .
F1M      F1M 'N-{1-[5-chloro-3-methoxy-2-(1-methyl' non-polymer        67  35 .
F1N      F1N 'N-{1-[5-chloro-3-methoxy-2-(1-methyl' non-polymer        70  36 .
F1P      F1P '1-O-PHOSPHONO-BETA-D-FRUCTOPYRANOSE ' non-polymer        27  16 .
F20      F20 'N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1' non-polymer        67  39 .
F21      F21 '(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOL' non-polymer        40  21 .
F23      F23 'TRICOSANOIC ACID                    ' non-polymer        70  25 .
F24      F24 '(3R,5S,7R,12S,13R)-13-FORMYL-12,14-D' non-polymer        56  23 .
F25      F25 '4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMET' non-polymer        59  32 .
F27      F27 '6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-' non-polymer        47  30 .
F29      F29 '1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PY' non-polymer        45  28 .
F2A      F2A '"2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hyd' non-polymer        46  30 .
F2B      F2B 'N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-' non-polymer        34  22 .
F2C      F2C '6-[2-(7-phenylheptanoyl)-1,3-oxazol-' non-polymer        49  28 .
F2F      F2F '3,4-difluoro-L-phenylalanine        ' peptide            22  14 .
F2G      F2G '3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-ME' non-polymer        76  31 .
F2I      F2I '"N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-' non-polymer        79  41 .
F2N      F2N '.                                   ' non-polymer       104  63 .
F2P      F2P '1,6-DI-O-PHOSPHONO-D-ALLITOL        ' non-polymer        32  20 .
F32      F32 '"(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-' non-polymer        56  35 .
F34      F34 'N-[(3S,4R,5R,6R)-4,5,6-trihydroxyaze' non-polymer        30  14 .
F3B      F3B '1,3,5-trichloro-2,4,6-trifluorobenze' non-polymer        12  12 .
F3F      F3F '"S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRI' non-polymer        33  25 .
F3G      F3G '"3-[2-(2-BENZYLOXYCARBONYLAMINO-3-ME' non-polymer        59  31 .
F3P      F3P '(1S)-1-[(1S)-1-FLUOROETHYL]-1,5-DIME' non-polymer        40  20 .
F3S      F3S 'FE3-S4 CLUSTER                      ' non-polymer         8   7 .
F42      F42 'COENZYME F420                       ' non-polymer        85  53 .
F43      F43 'FACTOR 430                          ' non-polymer       106  62 .
F4C      F4C '2-(4-fluorophenyl)-3-oxo-6-pyridin-4' non-polymer        50  34 .
F4P      F4P '1-[bis(4-fluorophenyl)methyl]-4-(1H-' non-polymer        47  28 .
F50      F50 'ETHANEPEROXOIC ACID                 ' non-polymer         9   5 .
F55      F55 'N-{[(4-chlorophenyl)carbonyl]carbamo' non-polymer        41  24 .
F59      F59 'N-[(biphenyl-4-ylcarbonyl)carbamoyl]' non-polymer        51  29 .
F5B      F5B '1,2,3,4,5-pentafluorobenzene        ' non-polymer        12  11 .
F68      F68 'N-{[(4-methylphenyl)carbonyl]carbamo' non-polymer        44  24 .
F69      F69 '(2-thiophen-2-ylphenyl)methanol     ' non-polymer        23  13 .
F6B      F6B 'N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-' non-polymer        34  22 .
F6F      F6F '2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMIN' non-polymer        30  21 .
F6P      F6P 'FRUCTOSE-6-PHOSPHATE                ' non-polymer        27  16 .
F6R      F6R 'FRUCTOSE -6-PHOSPHATE               ' non-polymer        27  16 .
F77      F77 '3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL' non-polymer        38  23 .
F79      F79 '2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLU' non-polymer        44  26 .
F83      F83 '(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYME' non-polymer        40  23 .
F89      F89 '"S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OX' non-polymer        59  37 .
F8A      F8A '"9-[2-(trifluoromethyl)benzyl]-2,3,4' non-polymer        44  27 .
F9F      F9F '2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULF' non-polymer        31  22 .
FA1      FA1 '2,3 -ANHYDRO-QUINIC ACID            ' non-polymer        21  12 .
FA2      FA2 '5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYT' non-polymer        31  21 .
FA3      FA3 '2-ANHYDRO-3-FLUORO-QUINIC ACID      ' non-polymer        21  13 .
FA4      FA4 'SM-25453                            ' non-polymer        75  33 .
FA5      FA5 'ADENOSINE-5'-[PHENYLALANINYL-PHOSPHA' non-polymer        56  34 .
FA6      FA6 '3-HYDROXYIMINO QUINIC ACID          ' non-polymer        24  14 .
FA7      FA7 '(2Z,4E)-7-methylocta-2,4-dienoic aci' non-polymer        24  11 .
FA8      FA8 '.                                   ' non-polymer        86  53 .
FA9      FA9 '.                                   ' non-polymer       104  63 .
FAA      FAA 'N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE D' non-polymer        99  61 .
FAB      FAB 'FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBU' non-polymer        96  58 .
FAC      FAC '1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL   ' non-polymer        13  11 .
FAD      FAD 'FLAVIN-ADENINE DINUCLEOTIDE         ' non-polymer        84  53 .
FAE      FAE 'FLAVIN-N7 PROTONATED-ADENINE DINUCLE' non-polymer        85  53 .
FAF      FAF '2-ACETYLAMINO-4-METHYL-PENTANOIC ACI' non-polymer        46  22 .
FAG      FAG '.                                   ' non-polymer        74  48 .
FAH      FAH 'fluoroacetic acid                   ' non-polymer         7   5 .
FAI      FAI '"5-(formylamino)-1-(5-O-phosphono-be' non-polymer        37  24 .
FAL      FAL '(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)A' non-polymer        53  30 .
FAM      FAM 'ALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHI' non-polymer        86  52 .
FAN      FAN 'FORMANILIDE                         ' non-polymer        16   9 .
FAO      FAO '.                                   ' non-polymer        88  53 .
FAP      FAP '(2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)A' non-polymer        53  30 .
FAR      FAR 'FARNESYL                            ' non-polymer        41  15 .
FAS      FAS 'ARABINO-FLAVIN-ADENINE DINUCLEOTIDE ' non-polymer        84  53 .
FB1      FB1 '2-CHLOROBENZENESULFONAMIDE          ' non-polymer        17  11 .
FB2      FB2 'benzenesulfonamide                  ' non-polymer        17  10 .
FB4      FB4 '2-(2-amino-4-chlorophenoxy)-5-chloro' non-polymer        26  17 .
FBA      FBA '4-FLUOROBENZYLAMINE                 ' non-polymer        18   9 .
FBC      FBC '.                                   ' non-polymer        24  17 .
FB       FB  '5A-FORMYLBICYCLOMYCIN               ' non-polymer        41  23 .
FBD      FBD '"N-({(1R)-1-carboxy-2-[(4-fluorobenz' non-polymer        43  27 .
FBE      FBE '1-FORMYL-4-AMINO-2-BUTENE           ' non-polymer        16   7 .
FBI      FBI '"7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-' non-polymer        62  33 .
FBL      FBL '(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)A' non-polymer        53  30 .
FBN      FBN '"5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-' non-polymer        58  38 .
FBP      FBP 'BETA-FRUCTOSE-1,6-DIPHOSPHATE       ' non-polymer        30  20 .
FBQ      FBQ '1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQU' non-polymer        47  29 .
FBR      FBR '(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2' non-polymer        39  20 .
FBS      FBS '4-FLOUROBENZENESULFONAMIDE          ' non-polymer        17  11 .
FBT      FBT '2,6-DIFLUOROBENZENESULFONAMIDE      ' non-polymer        17  12 .
FBU      FBU '3,5-DIFLUOROBENZENESULFONAMIDE      ' non-polymer        17  12 .
FBV      FBV '2-fluorobenzenesulfonamide          ' non-polymer        17  11 .
FBW      FBW '3-fluorobenzenesulfonamide          ' non-polymer        17  11 .
FC0      FC0 'N-CARBOXY-L-PHENYLALANINE           ' non-polymer        25  15 .
FC1      FC1 'THIOCOUMARIN                        ' non-polymer        35  18 .
FC2      FC2 '5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID' non-polymer        21  16 .
FC3      FC3 '5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FURO' non-polymer        24  18 .
FC6      FC6 'HEXACYANOFERRATE(3-)                ' non-polymer        13  13 .
FCA      FCA 'ALPHA-D-FUCOSE                      ' pyranose           23  11 .
FCB      FCB 'BETA-D-FUCOSE                       ' pyranose           23  11 .
FCD      FCD '5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC' non-polymer        21  15 .
FCF      FCF '"3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tet' non-polymer        38  25 .
FCG      FCG '"(N5,C4A)-(ALPHA-HYDROXY-PROPANO)-3,' non-polymer        98  57 .
FCI      FCI 'FERRICROCIN-IRON                    ' non-polymer        95  51 .
F        F   'FLUORIDE ION                        ' non-polymer         1   1 .
FCK      FCK '"3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-t' non-polymer        42  25 .
FCL      FCL '3-CHLORO-L-PHENYLALANINE            ' peptide            22  13 .
FCN      FCN 'FOSFOMYCIN                          ' non-polymer        15   8 .
FCO      FCO 'CARBONMONOXIDE-(DICYANO) IRON       ' non-polymer         7   7 .
FCP      FCP '(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)A' non-polymer        53  30 .
FCR      FCR 'ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL' non-polymer        16  11 .
FCT      FCT 'DEOXY-2-FLUORO-B-D-CELLOTRIOSIDE    ' non-polymer        65  34 .
FCX      FCX 'ALPHA-FLUORO-CARBOXYMETHYLDETHIA COE' non-polymer        84  52 .
FD1      FD1 'N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AM' non-polymer        63  36 .
FD2      FD2 '"N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AM' non-polymer        67  37 .
FD3      FD3 'N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDI' non-polymer        60  33 .
FD4      FD4 'N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMI' non-polymer        65  36 .
FDA      FDA 'DIHYDROFLAVINE-ADENINE DINUCLEOTIDE ' non-polymer        86  53 .
FDC      FDC 'IRON(III) DICITRATE                 ' non-polymer        56  28 .
FDD      FDD 'FE(III) 2,4-DIMETHYL DEUTEROPORPHYRI' non-polymer        71  41 .
FDE      FDE 'FE(III) DEUTEROPORPHYRIN IX         ' non-polymer        65  39 .
FDF      FDF '"(2E,6E)-12-fluoro-11-(fluoromethyl)' non-polymer        49  26 .
FDG      FDG '2-amino-9-(2-deoxy-2-fluoro-5-O-phos' DNA                36  25 .
FDI      FDI '4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTAN' non-polymer        40  21 .
FDM      FDM '.                                   ' non-polymer        33  21 .
FDN      FDN '(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL' non-polymer        35  23 .
FDP      FDP 'FRUCTOSE-2,6-DIPHOSPHATE            ' non-polymer        30  20 .
FDQ      FDQ 'D-GLUCO-2,5-ANHYDRO-1-DEOXY-1-PHOSPH' non-polymer        30  18 .
FDS      FDS 'FLUORESCIN                          ' non-polymer        38  25 .
FDT      FDT '"(7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-' non-polymer        27  18 .
FE1      FE1 '"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-' non-polymer        59  33 .
FE2      FE2 'FE (II) ION                         ' non-polymer         1   1 .
FE3      FE3 '4-(2-aminoethyl)-3-chlorobenzoic aci' non-polymer        22  13 .
FEA      FEA 'MONOAZIDO-MU-OXO-DIIRON             ' non-polymer         6   6 .
FEB      FEB 'N~2~-[(3R)-3-hydroxydodecanoyl]-L-as' non-polymer        90  39 .
FEC      FEC '1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7' non-polymer        81  49 .
FE       FE  'FE (III) ION                        ' non-polymer         1   1 .
FEE      FEE 'N-{(1S,2S,3R)-1-[(alpha-D-galactopyr' non-polymer       126  49 .
FEF      FEF '.                                   ' non-polymer        46  27 .
FEG      FEG '"5'-O-[(S)-{[2-(carboxymethyl)-6-hyd' non-polymer        58  37 .
FEL      FEL 'HYDRATED FE                         ' non-polymer        10   4 .
FEM      FEM 'N-(2-FERROCENYLETHYL)MALEIMIDE      ' non-polymer        37  20 .
FEN      FEN 'N-(4-HYDROXYPHENYL)ALL-TRANS RETINAM' non-polymer        62  29 .
FEO      FEO 'MU-OXO-DIIRON                       ' non-polymer         3   3 .
FEP      FEP '"[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHY' non-polymer        50  30 .
FER      FER '3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROP' non-polymer        23  14 .
FES      FES 'FE2/S2 (INORGANIC) CLUSTER          ' non-polymer         4   4 .
FEX      FEX '.                                   ' non-polymer        75  37 .
FF3      FF3 '1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,' non-polymer        17  13 .
FFA      FFA '(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-' non-polymer        49  21 .
FFB      FFB 'N-(2,3,4,5,6-PENTAFLOURO-BENZYL)-4-S' non-polymer        34  25 .
FFC      FFC '2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE   ' non-polymer        44  23 .
FFD      FFD '(1R)-1,4-anhydro-2-deoxy-1-(3-fluoro' non-polymer        31  19 .
FFF      FFF 'TRIFLUOROFURNESYL DIPHOSPHATE       ' non-polymer        49  27 .
FFG      FFG '"(R)-6-(2'-((3-hydroxypyrrolidin-1-y' non-polymer        73  45 .
FFM      FFM 'S-[(1R,2R)-2-hydroxy-1-methyl-2-phos' peptide            28  15 .
FFO      FFO '5-FORMYL-6-HYDROFOLIC ACID          ' non-polymer        53  34 .
FFP      FFP '2,6-DIFLUOROPHENOL                  ' non-polymer        13   9 .
FG1      FG1 '"N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)' non-polymer        52  30 .
FG2      FG2 '5-methoxy-N-[(5-methylpyridin-2-yl)s' non-polymer        39  24 .
FG3      FG3 '"(5-methoxy-2-{[(5-methylpyridin-2-y' non-polymer        44  28 .
FG4      FG4 '{2-[(1-benzofuran-2-ylmethoxy)carbon' non-polymer        44  28 .
FG5      FG5 '"(2-{[(1-benzofuran-2-ylsulfonyl)ami' non-polymer        46  29 .
FG6      FG6 '{2-[(1-benzofuran-2-ylsulfonyl)carba' non-polymer        45  30 .
FGA      FGA '5-oxo-D-norvaline                   ' non-polymer        17   9 .
FGK      FGK 'N-acetyl-L-phenylalanyl-L-alpha-glut' non-polymer        77  39 .
FGL      FGL '2-AMINOPROPANEDIOIC ACID            ' peptide            11   8 .
FGP      FGP '2-AMINO-3-HYDROXY-3-PHOSPHONOOXY-PRO' non-polymer        17  12 .
FGR      FGR 'N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BET' non-polymer        33  20 .
FGS      FGS '5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHON' non-polymer        35  19 .
FH7      FH7 'N^5^-formyl-N^5^-hydroxy-D-ornithine' non-polymer        23  12 .
FHB      FHB '3-FLUORO-4-HYDROXYBENZOIC ACID      ' non-polymer        15  11 .
FHC      FHC '2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROP' non-polymer        19  13 .
FHI      FHI '.                                   ' non-polymer        25  19 .
FHL      FHL '(E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL' peptide            36  18 .
FHM      FHM 'S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-ME' non-polymer        42  28 .
FHN      FHN '(2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-B' non-polymer        29  13 .
FHO      FHO 'N^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINE' peptide            23  12 .
FHP      FHP '1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6' non-polymer        47  20 .
FHU      FHU '(5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURI' RNA                35  23 .
FI4      FI4 '(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-d' non-polymer        46  30 .
FIC      FIC '5-fluoroindole-2-carboxylic acid    ' non-polymer        18  13 .
FID      FID '(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO' non-polymer        30  20 .
FIH      FIH '"5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHE' non-polymer        39  26 .
FII      FII '[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRI' non-polymer        54  24 .
FIL      FIL '(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXY' non-polymer        41  21 .
FIN      FIN '.                                   ' non-polymer        48  26 .
FIP      FIP '5-FLUOROINDOLE PROPANOL PHOSPHATE   ' non-polymer        29  18 .
FIR      FIR '(2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO' non-polymer        30  20 .
FIS      FIS '(2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO' non-polymer        30  20 .
FIT      FIT '(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert' non-polymer        63  27 .
FIX      FIX 'D-fructuronic acid                  ' non-polymer        20  13 .
FJZ      FJZ 'N-cyclohexyl-4-(1H-imidazol-5-yl)pip' non-polymer        44  20 .
FK5      FK5 '8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN  ' non-polymer       126  57 .
FKA      FKA 'BENZYL-CARBAMIC ACID [8-DEETHYL-ASCO' non-polymer       143  67 .
FKD      FKD '2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-ARABI' non-polymer        32  18 .
FKI      FKI '5,5-DI-FLUORO-2-KETO-3-AMINOPENTANOI' non-polymer        17  11 .
FKL      FKL 'N-cyclopropyl-4-methyl-3-[8-methyl-7' non-polymer        59  32 .
FKN      FKN '3-[2-chloro-5-(methylsulfonyl)phenyl' non-polymer        40  29 .
FKO      FKO '3-(2-chlorophenyl)-6-(2-fluorophenox' non-polymer        36  24 .
FKP      FKP 'METHYLPIPERAZINOFORSKOLIN           ' non-polymer        89  39 .
FL1      FL1 '"5-{[({2-[4-(AMINOSULFONYL)PHENYL]ET' non-polymer        63  41 .
FL2      FL2 'FLURBIPROFEN METHYL ESTER           ' non-polymer        34  19 .
FL4      FL4 '6-(2,4-difluorophenoxy)-3-(2-methylp' non-polymer        37  25 .
FL8      FL8 '6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROM' non-polymer        32  22 .
FL9      FL9 '.                                   ' non-polymer        31  23 .
FLA      FLA 'TRIFLUOROALANINE                    ' peptide            12   9 .
FLC      FLC 'CITRATE ANION                       ' non-polymer        18  13 .
FLD      FLD 'BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCAR' non-polymer        98  50 .
FLE      FLE 'FUROYL-LEUCINE                      ' non-polymer        30  16 .
FLF      FLF '2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]' non-polymer        29  20 .
FLG      FLG 'FLUORESCEINYLTHIOUREIDO             ' non-polymer        48  31 .
FLI      FLI '(3R,4S,6S,8S,10R,12R,14R,16S,17E,19E' non-polymer       102  44 .
FLL      FLL 'OCTAHEDRAL RU-PYRIDOCARBAZOLE       ' non-polymer        60  42 .
FLM      FLM '3-FLUORO-2-METHYL-ANILINE           ' non-polymer        17   9 .
FLN      FLN '2-PHENYL-4H-CHROMEN-4-ONE           ' non-polymer        27  17 .
FLP      FLP 'FLURBIPROFEN                        ' non-polymer        30  18 .
FLQ      FLQ '"N-[6-(ACETYLAMINO)HEXYL]-3',6'-DIHY' non-polymer        66  38 .
FLS      FLS '6-(2,4-difluorophenoxy)-8-methyl-2-{' non-polymer        47  29 .
FLT      FLT 'FLUOROMALONYL TYROSINE              ' peptide            30  21 .
FLU      FLU '2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-' non-polymer        36  25 .
FLV      FLV 'FLAVIOLIN                           ' non-polymer        21  15 .
FLW      FLW '6-(2,4-difluorophenoxy)-2-{[3-hydrox' non-polymer        49  29 .
FLX      FLX '"N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL' non-polymer        57  31 .
FLY      FLY '6-(2,4-difluorophenoxy)-8-methyl-2-[' non-polymer        41  25 .
FLZ      FLZ '8-methyl-6-phenoxy-2-(tetrahydro-2H-' non-polymer        46  26 .
FM1      FM1 '2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-' non-polymer        35  20 .
FM2      FM2 '2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-' non-polymer        36  20 .
FMA      FMA '6-(3-TETRADECANOIC ACID) FLAVINE MON' non-polymer        91  47 .
FMB      FMB 'FORMYCIN B                          ' non-polymer        31  19 .
FMC      FMC '(1S)-1-(7-amino-1H-pyrazolo[4,3-d]py' non-polymer        32  19 .
FMD      FMD '4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-' non-polymer        48  28 .
FME      FME 'N-FORMYLMETHIONINE                  ' M-peptide          21  11 .
FMF      FMF '2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORI' non-polymer        22  12 .
FMG      FMG '"2-amino-9-(2-deoxy-2-fluoro-5-O-pho' DNA                39  25 .
FMI      FMI 'FE-(4-MESOPORPHYRINONE)-R-ISOMER    ' non-polymer        78  44 .
FMJ      FMJ '4-(5-methyl-3-phenylisoxazol-4-yl)py' non-polymer        31  19 .
FMK      FMK '6-(2,4-difluorophenoxy)-8-methyl-2-{' non-polymer        46  30 .
FML      FML '6-(2,4-difluorophenoxy)-N-[(1S)-1-me' non-polymer        41  26 .
FMM      FMM 'N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]P' non-polymer        66  40 .
FMN      FMN 'FLAVIN MONONUCLEOTIDE               ' non-polymer        50  31 .
FMP      FMP 'FORMYCIN-5'-MONOPHOSPHATE           ' non-polymer        35  23 .
FMR      FMR 'FUMARATE                            ' non-polymer        10   8 .
FMS      FMS 'TRIFLUOROMETHANE SULFONAMIDE        ' non-polymer        10   8 .
FMT      FMT 'FORMIC ACID                         ' non-polymer         5   3 .
FMU      FMU '5-FLUORO-5-METHYLURIDINE-5'-MONOPHOS' non-polymer        37  23 .
FMX      FMX 'FAMOXADONE                          ' non-polymer        46  28 .
FMY      FMY 'N-[(2Z)-4-(3-fluoro-5-morpholin-4-yl' non-polymer        64  37 .
FMZ      FMZ '"(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-' non-polymer        54  30 .
FNE      FNE '(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARB' non-polymer         9   9 .
FNG      FNG '5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-' non-polymer        40  24 .
FNH      FNH '"(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLO' non-polymer       108  54 .
FNM      FNM '(5S)-5-methyl-2-(methylsulfanyl)-5-p' non-polymer        39  22 .
FNP      FNP '"{[7-(DIFLUORO-PHOSPHONO-METHYL)-NAP' non-polymer        34  24 .
FNR      FNR '1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,' non-polymer        52  31 .
FNS      FNS 'N-SULFO-FLAVIN MONONUCLEOTIDE       ' non-polymer        54  35 .
FNZ      FNZ '4-[(1S,2R)-3-(4-FLUOROPHENYL)-2-HYDR' non-polymer        39  24 .
FO1      FO1 '1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-d' non-polymer        43  26 .
FOA      FOA '2-FUROIC ACID                       ' non-polymer        11   8 .
FOC      FOC 'FUCITOL                             ' non-polymer        25  11 .
FOE      FOE '2-(2-AMINO-3-OXO-PROPYLSULFANYL)-N-(' peptide            39  21 .
FOG      FOG '(4S,5S)-5-amino-4-hydroxy-6-phenylhe' non-polymer        32  16 .
FOH      FOH 'FARNESOL                            ' non-polymer        42  16 .
FOK      FOK 'FORSKOLIN                           ' non-polymer        63  29 .
FOL      FOL 'FOLIC ACID                          ' non-polymer        49  32 .
FOM      FOM '3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPH' non-polymer        21  11 .
FON      FON 'FOLINIC ACID                        ' non-polymer        55  34 .
FOO      FOO '"(3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOS' non-polymer        31  21 .
FOP      FOP '2-HYDROXY-PROPYL-AMMONIUM           ' non-polymer        15   5 .
FOR      FOR 'FORMYL GROUP                        ' non-polymer         4   2 .
FOS      FOS '[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]' non-polymer        28  16 .
FOT      FOT '5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDR' non-polymer        14  12 .
FOU      FOU '(5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYR' non-polymer        15  10 .
FOX      FOX '.                                   ' non-polymer        40  24 .
FP0      FP0 '(3alpha)-15-hydroxy-12,13-epoxytrich' non-polymer        46  22 .
FP1      FP1 'N-hydroxy-1-(1-methylpyridin-2(1H)-y' non-polymer        20  10 .
FP2      FP2 '2-fluorophenol                      ' non-polymer        13   8 .
FP9      FP9 '(4R)-4-fluoro-L-proline             ' P-peptide          16   9 .
FPA      FPA 'bromo(difluoro)acetic acid          ' non-polymer         7   7 .
FPB      FPB 'N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUORO' non-polymer        54  28 .
FPC      FPC 'D-FRUCTOSE-6-PHOSPHATE (OPEN FORM)  ' non-polymer        29  16 .
FPD      FPD '5A-(3-FORMYLPHENYLSULFANYL)-DIHYDROB' non-polymer        54  30 .
FPE      FPE '3-FLUORO-2-(PHOSPHONOOXY)PROPANOIC A' non-polymer        14  11 .
FPF      FPF '"(2Z,6E)-2-fluoro-3,7,11-trimethyldo' non-polymer        49  25 .
FPG      FPG '(1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIME' non-polymer        40  20 .
FPH      FPH '3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H' non-polymer        35  23 .
FPI      FPI 'N-FORMYLPIPERIDINE                  ' non-polymer        19   8 .
FPM      FPM '"(5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-' non-polymer        33  19 .
FPN      FPN '4-FLUOROPHENOL                      ' non-polymer        13   8 .
FPO      FPO 'FLUORO-PHOSPHITE ION                ' non-polymer         5   5 .
FPP      FPP 'FARNESYL DIPHOSPHATE                ' non-polymer        49  24 .
FPR      FPR '(3S)-3-amino-4-oxo-7-phenylheptanoic' non-polymer        33  17 .
FPS      FPS 'S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,' non-polymer        50  24 .
FPT      FPT 'N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETH' non-polymer        40  24 .
FPY      FPY '(4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROP' non-polymer        14   9 .
FQP      FQP '4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYM' non-polymer        26  21 .
FQX      FQX '[1,2,5]oxadiazolo[3,4-g]quinoxaline-' non-polymer        20  16 .
FR0      FR0 '"N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMI' non-polymer        40  25 .
FR1      FR1 '"2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-T' non-polymer        72  40 .
FR2      FR2 '1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPR' non-polymer        36  19 .
FR3      FR3 '1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHT' non-polymer        42  23 .
FR4      FR4 '1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-P' non-polymer        60  33 .
FR5      FR5 '1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(' non-polymer        66  37 .
FR6      FR6 '1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHY' non-polymer        45  24 .
FR7      FR7 '1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL' non-polymer        39  22 .
FR8      FR8 '1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-P' non-polymer        66  35 .
FR9      FR9 '1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL' non-polymer        59  33 .
FRA      FRA '"[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO' non-polymer        53  31 .
FRB      FRB '2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLOR' non-polymer        69  36 .
FRC      FRC '1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHY' non-polymer        46  25 .
FRD      FRD '1-PHENYL-2-AMINOPROPANE             ' non-polymer        23  10 .
FRE      FRE 'FERULOYL COENZYME A                 ' non-polymer       102  62 .
FRF      FRF 'PHE-REDUCED-PHE                     ' non-polymer        43  22 .
FRG      FRG '"2-[3-METHYL-4-(N-METHYL-GUANIDINO)-' non-polymer        63  33 .
FRH      FRH '"5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANI' non-polymer        81  45 .
FRI      FRI '"2-GUANIDINO-4-METHYL-PENTANOIC ACID' non-polymer        89  47 .
FRJ      FRJ '"3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2' non-polymer        60  41 .
FRK      FRK 'N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIA' non-polymer        49  27 .
FRL      FRL '1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-' non-polymer        51  30 .
FRM      FRM '2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO' non-polymer        52  28 .
FRN      FRN '.                                   ' non-polymer       170  91 .
FRO      FRO '(5R,6S)-6-[(1R)-1-HYDROXYETHYL]-7-OX' non-polymer        33  19 .
FRP      FRP 'N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPH' non-polymer        82  41 .
FRQ      FRQ '5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROP' non-polymer        53  29 .
FRR      FRR '(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-' non-polymer        48  26 .
FRS      FRS '1-[5-methyl-2-(trifluoromethyl)furan' non-polymer        51  34 .
FRT      FRT 'N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1' non-polymer        56  30 .
FRU      FRU 'FRUCTOSE                            ' non-polymer        24  12 .
FRV      FRV '4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMI' non-polymer        47  27 .
FRW      FRW '"4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[' non-polymer        65  36 .
FRX      FRX '(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYL' non-polymer        49  30 .
FRY      FRY '(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-' non-polymer        42  27 .
FRZ      FRZ '5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-' non-polymer        38  25 .
FS1      FS1 'IRON/SULFUR CLUSTER                 ' non-polymer         2   2 .
FS2      FS2 'FE-S-O HYBRID CLUSTER               ' non-polymer        10   9 .
FSA      FSA '1-S-(carboxymethyl)-1-thio-beta-D-fr' non-polymer        29  16 .
FSB      FSB 'N-(2-FLOURO-BENZYL)-4-SULFAMOYL-BENZ' non-polymer        34  21 .
FSC      FSC 'FUSICOCCIN                          ' non-polymer       104  48 .
FSE      FSE '3,7,3',4'-TETRAHYDROXYFLAVONE       ' non-polymer        31  21 .
FSF      FSF '4FE-2S-O HYBRID CLUSTER             ' non-polymer         8   7 .
FSG      FSG '[(1S)-1-FLUORO-2-(HYDROXYAMINO)-2-OX' non-polymer        15  10 .
FSH      FSH '.                                   ' non-polymer        87  54 .
FSI      FSI '5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-DIDE' non-polymer        38  21 .
FSM      FSM 'FORSMANN ANTIGEN                    ' non-polymer        57  29 .
FSN      FSN '"(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUORO' non-polymer        54  30 .
FSO      FSO 'IRON/SULFUR/OXYGEN HYBRID CLUSTER   ' non-polymer        12  10 .
FSP      FSP '"[1-(4-FLUOROBENZYL)CYCLOBUTYL]METHY' non-polymer        61  32 .
FSS      FSS '3-(2,6-dichlorophenyl)-7-({4-[(dieth' non-polymer        60  34 .
FSX      FSX '"BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS' non-polymer        12  10 .
FT0      FT0 '3-hydroxy-4-phenoxybenzaldehyde     ' non-polymer        26  16 .
FT1      FT1 '4-(2,4-dichlorophenoxy)-3-hydroxyben' non-polymer        26  18 .
FT2      FT2 '5-(chloromethyl)-2-(2,4-dichlorophen' non-polymer        27  18 .
FT3      FT3 '2-(2,4-dichlorophenoxy)-5-(hydroxyme' non-polymer        28  18 .
FT6      FT6 '6-FLUORO-L-TRYPTOPHAN               ' peptide            26  16 .
FTA      FTA '3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-' non-polymer        36  23 .
FTB      FTB 'N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6' non-polymer        60  34 .
FTC      FTC 'N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETH' non-polymer        39  23 .
FTH      FTH '1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METH' non-polymer        66  38 .
FTI      FTI '1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL' non-polymer        58  35 .
FTL      FTL '4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMI' non-polymer        58  35 .
FTP      FTP '3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMID' non-polymer        38  25 .
FTR      FTR 'FLUOROTRYPTOPHANE                   ' peptide            26  16 .
FTS      FTS '(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFL' non-polymer        38  22 .
FTT      FTT '3-HYDROXY-TETRADECANOIC ACID        ' non-polymer        44  17 .
FTY      FTY 'DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROS' peptide            30  19 .
FU2      FU2 'FURFURAL                            ' non-polymer        11   7 .
FU4      FU4 '2,6-ANHYDRO-1-DEOXY-D-GALACTITOL    ' pyranose           22  10 .
FUA      FUA 'FUSIDIC ACID                        ' non-polymer        84  37 .
FUB      FUB 'beta-L-arabinofuranose              ' furanose           20  10 .
FUC      FUC 'ALPHA-L-FUCOSE                      ' pyranose           23  11 .
FUD      FUD 'D-fructose                          ' non-polymer        24  12 .
FUF      FUF '2-DEOXY-2-FLUORO-BETA-L-FUCOPYRANOSE' non-polymer        22  11 .
FUG      FUG 'FUMAGILLIN                          ' non-polymer        68  33 .
FUL      FUL 'BETA-L-FUCOSE                       ' pyranose           23  11 .
FUM      FUM 'FUMARIC ACID                        ' non-polymer        10   8 .
FUN      FUN '5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FUR' non-polymer        31  21 .
FUP      FUP '2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'' non-polymer        34  24 .
FUR      FUR 'ACENAPHTHENEQUINONE                 ' non-polymer        21  16 .
FUX      FUX '5-HYDROXYMETHYL-FURFURAL            ' non-polymer        15   9 .
FUY      FUY 'BETA-L-FUCOSYL-AZIDE                ' non-polymer        25  13 .
FVF      FVF '"O-((((N-PHENYL-METHOXY-CARBONYL)-PH' non-polymer        75  41 .
FWD      FWD '2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DI' non-polymer        22  15 .
FX1      FX1 'beta-D-threo-hexo-2,4-diulo-2,5-fura' non-polymer        22  12 .
FX3      FX3 '5-O-[(2E)-3-(4-hydroxy-3-methoxyphen' non-polymer        41  23 .
FX4      FX4 '"[(5Z)-5-{[3-(carboxymethoxy)-4-meth' non-polymer        36  25 .
FXA      FXA 'N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)S' non-polymer        50  33 .
FXG      FXG 'N-butyl-3-{[6-(9H-purin-6-ylamino)he' non-polymer        60  31 .
FXI      FXI '"1-(butyl{[(4-chlorophenyl)amino]car' non-polymer        67  38 .
FXM      FXM '"2,2-DIMETHYLPROPANOYLOXYMETHYL (6R,' non-polymer        67  38 .
FXN      FXN '5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID' non-polymer        27  16 .
FXP      FXP '2-deoxy-2-fluoro-4-O-beta-D-xylopyra' non-polymer        36  19 .
FXV      FXV 'METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-' non-polymer        60  33 .
FXY      FXY '1-METHYLHEPTYLFORMAMIDE             ' non-polymer        30  11 .
FYA      FYA 'ADENOSINE-5'-[PHENYLALANINOL-PHOSPHA' non-polymer        57  33 .
FYI      FYI '"N-{(2S)-4-(methylamino)-4-oxo-2-[4-' non-polymer        69  37 .
FYN      FYN '.                                   ' non-polymer        82  50 .
FYO      FYO '4-[5-(2,6-dioxo-1,2,3,6-tetrahydropy' non-polymer        30  22 .
FYQ      FYQ '"N~2~-{(2R)-4-(methylamino)-4-oxo-2-' non-polymer        67  38 .
FYX      FYX '4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3' non-polymer        27  19 .
FZN      FZN '.                                   ' peptide            82  48 .
G00      G00 '4-butoxy-3-chlorobenzyl imidothiocar' non-polymer        34  17 .
G01      G01 'N-[(R)-hydroxy(methyl)phosphoryl]-D-' non-polymer        24  14 .
G05      G05 '"(4aR,6r,7aS)-hexahydro-4aH-cyclopen' non-polymer        80  40 .
G0B      G0B '.                                   ' non-polymer       124  60 .
G0G      G0G 'N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS' non-polymer        70  39 .
G11      G11 '6-[5-(cyclopropylcarbamoyl)-2-methyl' non-polymer        49  26 .
G12      G12 '3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CH' non-polymer        21  15 .
G13      G13 'N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl' non-polymer        73  35 .
G14      G14 '2-phenyl-1H-imidazole-4-carboxylic a' non-polymer        21  14 .
G15      G15 '5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1' non-polymer        52  31 .
G16      G16 'ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE    ' pyranose           30  20 .
G19      G19 '"(2S,3AR,4R,5S,6S,8R,9R,9AR,10R)-2,5' non-polymer        70  36 .
G1C      G1C '"5'-O-[(R)-{[(S)-[(S)-chloro(phospho' non-polymer        48  32 .
G1G      G1G '7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5' non-polymer        82  53 .
G1L      G1L '3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOR' non-polymer        31  18 .
G1M      G1M '"2'-deoxy-5'-O-[(R)-hydroxy({(S)-hyd' non-polymer        51  32 .
G1P      G1P 'ALPHA-D-GLUCOSE-1-PHOSPHATE         ' pyranose           27  16 .
G1R      G1R '"[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6' non-polymer        58  37 .
G20      G20 '"4-ACETYL-4-GUANIDINO-6-METHYL(PROPY' non-polymer        46  24 .
G21      G21 '"5-ACETYLAMINO-4-AMINO-6-(PHENETHYLP' non-polymer        56  28 .
G23      G23 '"(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHEN' non-polymer        57  31 .
G24      G24 '[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DI' non-polymer        51  28 .
G25      G25 'GUANOSINE-5'-MONOPHOSPHATE          ' RNA                36  24 .
G26      G26 '"2-(BENZYLCARBAMOYL-PHENYLACETYLAMIN' non-polymer        79  41 .
G27      G27 '(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PH' non-polymer        42  19 .
G28      G28 '5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAM' non-polymer        43  21 .
G2C      G2C '"2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(' non-polymer        48  33 .
G2F      G2F '2-DEOXY-2FLUORO-GLUCOSE             ' pyranose           23  12 .
G2G      G2G '5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[' non-polymer        82  43 .
G2H      G2H '2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIH' non-polymer        17  10 .
G2I      G2I '"(3R,4R,5R)-3-hydroxy-5-(hydroxymeth' non-polymer        65  32 .
G2L      G2L '3'-O-METHYOXYETHYL-GUANOSINE-5'-MONO' RNA                46  28 .
G2M      G2M '"2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hyd' non-polymer        54  33 .
G2N      G2N '"ethyl [(2R)-5-amino-2-methyl-3-phen' non-polymer        43  24 .
G2P      G2P 'PHOSPHOMETHYLPHOSPHONIC ACID GUANYLA' non-polymer        48  32 .
G2R      G2R '"[(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6' non-polymer        57  36 .
G2S      G2S 'GUANOSINE-5'-DITHIOPHOSPHORATE      ' non-polymer        37  23 .
G30      G30 '(1S,2R)-2-[(2,5-difluorophenyl)carba' non-polymer        25  17 .
G31      G31 '3'-METHYL-2',3'-DEOXY-GUANOSINE-5'-M' non-polymer        37  23 .
G34      G34 '"(3AS,4R,5S,6S,8R,9R,9AR,10R)-5-HYDR' non-polymer        83  36 .
G35      G35 '(5R)-5-carbamimidamido-1-(2-deoxy-5-' DNA                37  23 .
G36      G36 'O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPH' non-polymer        41  25 .
G37      G37 '"2-(BENZYLCARBAMOYL-PHENYLACETYLAMIN' non-polymer       102  55 .
G38      G38 '3'-AMINO-2'-DEOXY-GUANOSINE-5'-MONOP' non-polymer        36  23 .
G39      G39 '"(3R,4R,5S)-4-(acetylamino)-5-amino-' non-polymer        43  20 .
G3A      G3A 'GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOS' non-polymer        74  50 .
G3B      G3B '2-methyl-5-(3-{4-[(S)-methylsulfinyl' non-polymer        38  24 .
G3D      G3D 'GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOS' non-polymer        43  32 .
G3E      G3E '3-hydroxyquinolin-2(1H)-one         ' non-polymer        19  12 .
G3G      G3G 'N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS' non-polymer        74  41 .
G3H      G3H 'GLYCERALDEHYDE-3-PHOSPHATE          ' non-polymer        15  10 .
G3I      G3I '"(3R,4R,5R)-3-hydroxy-5-(hydroxymeth' non-polymer        86  43 .
G3P      G3P 'SN-GLYCEROL-3-PHOSPHATE             ' non-polymer        17  10 .
G3X      G3X '(4aS,6R,8aS)-3-methoxy-11-(3-piperid' non-polymer        63  29 .
G44      G44 '4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL' non-polymer        46  26 .
G46      G46 '2'-DEOXY-GUANOSINE-5'-MONOTHIOPHOSPH' non-polymer        38  24 .
G47      G47 'N2-ETHANETHIOL-2'-DEOXY-GUANOSINE-5'' non-polymer        42  26 .
G48      G48 '2'-O-METHYOXYETHYL-GUANOSINE-5'-MONO' non-polymer        46  28 .
G49      G49 'N2-METHYL-2'-DEOXY-GUANOSINE-5'-MONO' non-polymer        38  24 .
G4D      G4D '4-DEOXY-ALPHA-D-GLUCOSE             ' pyranose           23  11 .
G4G      G4G '4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBI' non-polymer        78  45 .
G4M      G4M '.                                   ' non-polymer        85  53 .
G4P      G4P 'GUANOSINE-5',3'-TETRAPHOSPHATE      ' non-polymer        47  36 .
G4S      G4S '4-O-sulfo-beta-D-galactopyranose    ' pyranose           28  16 .
G50      G50 '3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDR' non-polymer        34  20 .
G52      G52 '.                                   ' non-polymer        82  42 .
G55      G55 '"(5R)-1,3-dioxepan-5-yl [(1S,2R)-1-b' non-polymer        76  38 .
G58      G58 '"N-(2-chloro-6-fluorobenzyl)-1-methy' non-polymer        59  36 .
G5A      G5A '5'-O-(glycylsulfamoyl)adenosine     ' non-polymer        44  27 .
G5P      G5P '.                                   ' non-polymer        82  58 .
G6A      G6A '"N-cyclopropyl-2',6-dimethyl-4'-(5-m' non-polymer        47  26 .
G6D      G6D '6-DEOXY-ALPHA-D-GLUCOSE             ' non-polymer        23  11 .
G6G      G6G 'N-{3-[(3-{4-[(4-methoxyphenyl)amino]' non-polymer        83  46 .
G6H      G6H 'N-{4-methyl-3-[(3-{4-[(3,4,5-trimeth' non-polymer        74  46 .
G6P      G6P 'ALPHA-D-GLUCOSE-6-PHOSPHATE         ' pyranose           27  16 .
G6Q      G6Q 'GLUCOSE-6-PHOSPHATE                 ' non-polymer        27  16 .
G6S      G6S 'D-GALACTOSE-6-SULFATE               ' pyranose           28  16 .
G6X      G6X '"2-{6-[(4aS,6R,8aS)-6-hydroxy-3-meth' non-polymer        72  38 .
G7M      G7M 'N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE' RNA                40  25 .
G7P      G7P '6,7-DIDEOXY-7-PHOSPHONO-BETA-D-GLUCO' non-polymer        31  16 .
G80      G80 '"(3AS,4R,5S,6S,8R,9R,9AR,10R)-5-HYDR' non-polymer        76  33 .
G88      G88 '(2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC' non-polymer        23  14 .
G93      G93 '4-{2-(4-amino-2,5-dihydro-1,2,5-oxad' non-polymer        62  31 .
G95      G95 'N-[(1S)-2-amino-1-phenylethyl]-5-(1H' non-polymer        44  26 .
G96      G96 '4-[2-(4-amino-2,5-dihydro-1,2,5-oxad' non-polymer        65  34 .
G97      G97 'N-[2-phenyl-4-(1H-pyrazol-3-ylamino)' non-polymer        43  27 .
G98      G98 '4-[2-(4-amino-2,5-dihydro-1,2,5-oxad' non-polymer        65  34 .
G9D      G9D '3-(morpholin-4-ylmethyl)-1,5-dihydro' non-polymer        37  21 .
G9F      G9F '2-{4-[3-(dimethylamino)propoxy]pheny' non-polymer        51  27 .
G9G      G9G '2-(4-methylpiperazin-1-yl)benzo[c][1' non-polymer        40  22 .
G9H      G9H '2-[(dimethylamino)methyl]-5,6-dihydr' non-polymer        34  18 .
G9I      G9I '2-{2-[4-(pyrrolidin-1-ylmethyl)pheny' non-polymer        54  28 .
G9L      G9L '8-fluoro-2-(3-piperidin-1-ylpropanoy' non-polymer        50  26 .
G9M      G9M 'N-(6-oxo-5,6-dihydrobenzo[c][1,5]nap' non-polymer        57  30 .
G9P      G9P '"(11bR)-3-oxo-1,2,3,11b-tetrahydroch' non-polymer        33  22 .
GA0      GA0 'GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEA' non-polymer        51  27 .
GA2      GA2 '9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUAN' non-polymer        31  18 .
GA3      GA3 'GIBBERELLIN A3                      ' non-polymer        46  25 .
GA4      GA4 'GIBBERELLIN A4                      ' non-polymer        47  24 .
GA9      GA9 '3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-C' non-polymer        44  31 .
GAA      GAA 'METANITROPHENYL-ALPHA-D-GALACTOSIDE ' non-polymer        36  21 .
GAB      GAB '3-AMINOBENZOIC ACID                 ' non-polymer        16  10 .
GAC      GAC 'DIHYDRO-ACARBOSE                    ' non-polymer        89  44 .
GA       GA  'GALLIUM (III) ION                   ' non-polymer         1   1 .
GAD      GAD '2,6-ANHYDRO-3-DEOXY-D-ERYTHRO-HEX-2-' non-polymer        18  11 .
GAE      GAE 'D-galactaric acid                   ' non-polymer        22  14 .
GAF      GAF '2-DEOXY-2-FLUORO-ALPHA-D-GALACTOPYRA' non-polymer        23  12 .
GAG      GAG '3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID' non-polymer        11   9 .
GAH      GAH 'N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)MET' non-polymer       116  55 .
GAI      GAI 'GUANIDINE                           ' non-polymer         9   4 .
GAJ      GAJ 'N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2 ' non-polymer        33  24 .
GAL      GAL 'BETA-D-GALACTOSE                    ' pyranose           24  12 .
GAM      GAM 'ALPHA-METHYL-L-GLUTAMIC ACID        ' non-polymer        20  11 .
GAN      GAN '2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-' non-polymer        93  42 .
GAO      GAO '.                                   ' RNA                36  24 .
GAP      GAP 'GLYCYL-ADENOSINE-5'-PHOSPHATE       ' non-polymer        44  27 .
GAQ      GAQ '5-HYDROXYPENTANAL                   ' non-polymer        17   7 .
GAR      GAR 'GLYCINAMIDE RIBONUCLEOTIDE          ' non-polymer        31  18 .
GAS      GAS '.                                   ' non-polymer        48  29 .
GAT      GAT '4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANO' non-polymer        36  19 .
GAU      GAU '(4S)-4-AMINO-5-HYDROXYPENTANOIC ACID' non-polymer        19   9 .
GAV      GAV 'GUANOSINE-5'-RP-ALPHA-THIO-TRIPHOSPH' non-polymer        45  32 .
GAX      GAX '1-{3-[(4-pyridin-2-ylpiperazin-1-yl)' non-polymer        50  30 .
GB1      GB1 '(2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHE' non-polymer        38  18 .
GB2      GB2 '(2R,3R,4S)-2-({[(1S)-2-HYDROXY-1-PHE' non-polymer        38  18 .
GB3      GB3 '(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-' non-polymer        41  19 .
GB4      GB4 '(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROX' non-polymer        21  14 .
GB5      GB5 '(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACR' non-polymer        21  13 .
GB6      GB6 '(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2' non-polymer        37  19 .
GB7      GB7 '(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2' non-polymer        40  20 .
GBC      GBC 'GABACULINE                          ' non-polymer        20  10 .
GB       GB  'METHYLPHOSPHONIC ACID ESTER GROUP   ' non-polymer        10   5 .
GBD      GBD '4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOX' non-polymer        10   9 .
GBI      GBI 'S-(3-IODOBENZYL)GLUTATHIONE         ' non-polymer        48  28 .
GBL      GBL 'GAMMA-BUTYROLACTONE                 ' non-polymer        12   6 .
GBN      GBN '[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC AC' non-polymer        28  12 .
GBO      GBO '"(2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S' non-polymer        67  35 .
GBP      GBP 'S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)' non-polymer        52  31 .
GBR      GBR '"5'-O-[(R)-{[(S)-[(R)-bromo(phosphon' non-polymer        48  32 .
GBS      GBS '4-GUANIDINOBENZOIC ACID             ' non-polymer        21  13 .
GBX      GBX '"2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMO' non-polymer        68  43 .
GC1      GC1 '2,6-ANHYDRO-L-GULONIC ACID          ' pyranose           21  12 .
GC2      GC2 '6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE ' non-polymer        34  16 .
GC4      GC4 '4-DEOXY-D-GLUCURONIC ACID           ' pyranose           21  12 .
GC7      GC7 '1-GUANIDINIUM-7-AMINOHEPTANE        ' non-polymer        34  12 .
GCA      GCA '6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMET' non-polymer        50  24 .
GCD      GCD '4,5-DEHYDRO-D-GLUCURONIC ACID       ' non-polymer        19  12 .
GCG      GCG 'BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINY' non-polymer        95  48 .
GCH      GCH 'GLYCOCHOLIC ACID                    ' non-polymer        75  33 .
G        G   'GUANOSINE-5'-MONOPHOSPHATE          ' RNA                36  24 .
GCK      GCK '.                                   ' non-polymer        56  34 .
GCN      GCN '3-DEOXY-D-GLUCOSAMINE               ' pyranose           24  11 .
GCO      GCO 'GLUCONIC ACID                       ' non-polymer        24  13 .
GCP      GCP 'PHOSPHOMETHYLPHOSPHONIC ACID GUANYLA' non-polymer        49  32 .
GCQ      GCQ 'GEMCITABINE DIPHOSPHATE             ' non-polymer        36  26 .
GCR      GCR 'GALLICHROME                         ' non-polymer        95  51 .
GCS      GCS 'D-GLUCOSAMINE                       ' pyranose           25  12 .
GCT      GCT '4,5-DIHYDROXY-TETRAHYDRO-PYRAN-2-CAR' pyranose           20  11 .
GCU      GCU 'D-GLUCURONIC ACID                   ' pyranose           22  13 .
GCV      GCV '4-O-METHYL-ALPHA-D-GLUCURONIC ACID  ' pyranose           25  14 .
GCW      GCW '4-O-METHYL-BETA-D-GLUCURONIC ACID   ' pyranose           25  14 .
GD3      GD3 'GADOLINIUM ION                      ' non-polymer         1   1 .
GD7      GD7 '(1R)-1,2,2-TRIMETHYLPROPYL (R)-METHY' non-polymer        27  10 .
GD8      GD8 '(1R)-1,2,2-TRIMETHYLPROPYL (S)-METHY' non-polymer        27  10 .
GD9      GD9 '2-(1H-indazol-4-yl)-6-{[4-(methylsul' non-polymer        62  35 .
GDA      GDA '4-DEOXY-4-AMINO-BETA-D-GLUCOSE      ' non-polymer        25  12 .
GDC      GDC 'GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALA' non-polymer        62  39 .
GD       GD  'GADOLINIUM ATOM                     ' non-polymer         1   1 .
GDD      GDD 'GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MAN' non-polymer        62  39 .
GDL      GDL '2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LA' non-polymer        28  15 .
GDM      GDM 'GELDANAMYCIN                        ' non-polymer        80  40 .
GDN      GDN 'GLUTATHIONE S-(2,4 DINITROBENZENE)  ' non-polymer        49  32 .
GDP      GDP 'GUANOSINE-5'-DIPHOSPHATE            ' non-polymer        40  28 .
GDR      GDR 'GUANOSINE-5'-DIPHOSPHATE-RHAMNOSE   ' non-polymer        61  38 .
GDS      GDS 'OXIDIZED GLUTATHIONE DISULFIDE      ' non-polymer        68  40 .
GDT      GDT '(2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z' non-polymer        81  37 .
GDU      GDU 'GALACTOSE-URIDINE-5'-DIPHOSPHATE    ' non-polymer        58  36 .
GDV      GDV '(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DI' non-polymer        47  26 .
GDX      GDX '.                                   ' non-polymer        60  40 .
GE1      GE1 '3,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACT' non-polymer        24  10 .
GE2      GE2 '3,5-DIAMINO-CYCLOHEXANOL            ' non-polymer        23   9 .
GE3      GE3 '5-METHYL-4-METHYLAMINO-TETRAHYDRO-PY' non-polymer        27  12 .
GEA      GEA 'GE2270A                             ' non-polymer       142  87 .
GEG      GEG '(4E)-4-AMINOHEX-4-ENOIC ACID        ' non-polymer        19   9 .
GEL      GEL '1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYC' non-polymer        75  31 .
GEM      GEM '(2-GUANIDINOETHYLMERCAPTO)SUCCINIC A' non-polymer        26  15 .
GEN      GEN 'GENISTEIN                           ' non-polymer        30  20 .
GEO      GEO 'GEMCITABINE                         ' non-polymer        29  18 .
GEP      GEP 'N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-E' non-polymer        52  24 .
GEQ      GEQ '5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-Y' non-polymer        53  30 .
GER      GER 'GERAN-8-YL GERAN                    ' non-polymer        54  20 .
GET      GET 'GENETICIN                           ' non-polymer        74  34 .
GF1      GF1 '"(2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooc' non-polymer        31  17 .
GF2      GF2 '.                                   ' DNA                35  24 .
GF4      GF4 '4-ethyl-5-methyl-2-(1H-tetrazol-5-yl' non-polymer        24  14 .
GF7      GF7 '(3S)-1-(4-acetylphenyl)-5-oxopyrroli' non-polymer        30  18 .
GFA      GFA '2-[4-chloro-2-(phenylcarbonyl)phenox' non-polymer        42  26 .
GFC      GFC '"5'-O-[(S)-{[(S)-[(S)-chloro(fluoro)' non-polymer        48  33 .
GFF      GFF '"2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHON' non-polymer        48  33 .
GFG      GFG '"ALPHA-D-GLUCOPYRANOSYL-(1->3)-ALPHA' pyranose           66  34 .
GFH      GFH '"2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUOR' non-polymer        48  32 .
GFL      GFL '"2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHO' non-polymer        35  24 .
GFM      GFM '"2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fl' non-polymer        51  33 .
GFP      GFP '2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE-1-P' pyranose           26  16 .
GG1      GG1 '"4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLP' non-polymer        51  32 .
GG2      GG2 '1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OX' non-polymer        59  34 .
GG3      GG3 '{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)A' non-polymer        49  24 .
GG4      GG4 '.                                   ' non-polymer       109  52 .
GG5      GG5 '4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-Y' non-polymer        28  18 .
GG6      GG6 '[(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHO' non-polymer        18   9 .
GG7      GG7 '[(1R)-1-AMINOETHYL]PHOSPHONIC ACID  ' non-polymer        15   7 .
GG9      GG9 '"(3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DI' non-polymer        36  28 .
GGA      GGA 'D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMIN' non-polymer        67  33 .
GGB      GGB 'L-CANAVANINE                        ' non-polymer        23  12 .
GGC      GGC '1-MENAPHTHYL GLUTATHIONE CONJUGATE  ' non-polymer        54  31 .
GGD      GGD '"NONADEC-10-ENOIC ACID 2-[3,4-DIHYDR' non-polymer       161  67 .
GGG      GGG 'glycylglycylglycine                 ' non-polymer        23  13 .
GGH      GGH '"2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHO' non-polymer        48  31 .
GGO      GGO '(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXO' non-polymer        47  28 .
GGP      GGP 'BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLU' non-polymer        99  67 .
GGT      GGT 'Trioxacarcin A                      ' non-polymer       114  62 .
GGV      GGV '.                                   ' non-polymer       126  63 .
GGW      GGW '"methyl [(1S,4S,5S,7S,10S)-4-benzyl-' non-polymer       104  51 .
GGX      GGX '.                                   ' non-polymer       119  60 .
GGZ      GGZ '"(2S,3AR,4R,6R,6AR)-4-(6-AMINO-9H-PU' non-polymer        41  30 .
GH3      GH3 '3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE  ' non-polymer        43  31 .
GHA      GHA '.                                   ' non-polymer        38  20 .
GHC      GHC '"N-({4-[(2-amino-6-ethyl-4-oxo-3,4-d' non-polymer        50  32 .
GHG      GHG '(2S,4S)-2,5-diamino-4-hydroxy-5-oxop' peptide            20  11 .
GHP      GHP '(2R)-amino(4-hydroxyphenyl)ethanoic ' peptide            20  12 .
GHR      GHR '"[[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-' non-polymer        39  23 .
GHW      GHW '"N-({4-[(2-amino-6-methyl-4-oxo-3,4-' non-polymer        47  31 .
GI1      GI1 'METHOXYCARBONYL-SUBSTITUTED GLUCOIMI' non-polymer        35  18 .
GI2      GI2 'METHYL ACETATE-SUBSTITUTED GLUCOIMID' non-polymer        36  19 .
GI3      GI3 'CARBOXYLATE-SUBSTITUTED GLUCOIMIDAZO' non-polymer        29  17 .
GI4      GI4 'METHYL ACETIC ACID-SUBSTITUTED GLUCO' non-polymer        32  18 .
GIA      GIA '3-fluoro-N-(naphthalen-2-ylcarbonyl)' non-polymer        40  25 .
GIG      GIG '"METHYL (5-{4-[({[2-FLUORO-5-(TRIFLU' non-polymer        53  36 .
GIL      GIL '"2-{[6-{3-[AMINO(IMINO)METHYL]PHENOX' non-polymer        76  42 .
GIM      GIM 'GLUCOIMIDAZOLE                      ' non-polymer        27  14 .
GIN      GIN '2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)M' non-polymer        53  31 .
GIO      GIO 'CYCLO-(GLYCINE-L-PROLINE) INHIBITOR ' non-polymer        21  11 .
GIP      GIP 'S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)G' non-polymer        52  31 .
GIQ      GIQ '3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2' non-polymer        25  15 .
GIR      GIR 'GIRODAZOLE                          ' non-polymer        23  12 .
GIS      GIS 'ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENY' non-polymer        33  20 .
GJW      GJW '7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2' non-polymer        37  20 .
GJZ      GJZ '(1R,2S)-2-phenylcyclopropanamine    ' non-polymer        21  10 .
GK1      GK1 '4-{4-[(5-hydroxy-2-methylphenyl)amin' non-polymer        41  26 .
GK3      GK3 '"N-(3-cyanophenyl)-2'-methyl-5'-(5-m' non-polymer        48  30 .
GK4      GK4 '"N-(cyclopropylmethyl)-2'-methyl-5'-' non-polymer        47  26 .
GK5      GK5 'N~3~-cyclopropyl-N~4~'-(cyclopropylm' non-polymer        50  26 .
GK6      GK6 '"N-{4'-[(cyclopropylmethyl)carbamoyl' non-polymer        65  35 .
GKD      GKD '.                                   ' non-polymer        60  39 .
GKE      GKE '.                                   ' non-polymer        62  39 .
GKK      GKK '2-chloro-4-{[(3S)-1-methylpyrrolidin' non-polymer        46  27 .
GKR      GKR 'D-GLUCARATE                         ' non-polymer        22  14 .
GL0      GL0 'beta-D-gulopyranose                 ' non-polymer        24  12 .
GL1      GL1 '1-O-phosphono-alpha-D-galactopyranos' non-polymer        27  16 .
GL2      GL2 '3-AMINO-8,9,10-TRIHYDROXY-7-HYDROXYM' pyranose           31  18 .
GL3      GL3 'THIOGLYCIN                          ' non-polymer        10   5 .
GL4      GL4 '8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2-' non-polymer        29  17 .
GL5      GL5 '3,8,9,10-TETRAHYDROXY-7-HYDROXYMETHY' pyranose           30  18 .
GL6      GL6 '"(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-T' pyranose           36  18 .
GL7      GL7 '8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-3-' pyranose           32  18 .
GL8      GL8 'GALANTHAMINE DERIVATIVE             ' non-polymer        76  39 .
GL9      GL9 'N-(8,9,10-TRIHYDROXY-7-HYDROXYMETHYL' pyranose           36  21 .
GLA      GLA 'ALPHA D-GALACTOSE                   ' pyranose           24  12 .
GLC      GLC 'ALPHA-D-GLUCOSE                     ' pyranose           24  12 .
GLD      GLD '4,6-DIDEOXYGLUCOSE                  ' pyranose           22  10 .
GLE      GLE '1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO' non-polymer        57  26 .
GLF      GLF '1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSE    ' pyranose           23  12 .
GLG      GLG 'ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ' pyranose           27  14 .
GLH      GLH 'N-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO' peptide            55  25 .
GLL      GLL 'GLYCOLURIL                          ' non-polymer        16  10 .
GLM      GLM '1-AMINO-PROPAN-2-ONE                ' non-polymer        12   5 .
GLN      GLN 'GLUTAMINE                           ' peptide            17   9 .
GLO      GLO 'D-GLUCOSE IN LINEAR FORM            ' non-polymer        24  12 .
GLP      GLP 'GLUCOSAMINE 6-PHOSPHATE             ' pyranose           28  16 .
GLQ      GLQ '4-AMINO-5-OXO-PENTANOIC ACID        ' non-polymer        17   9 .
GLR      GLR '2,3-DIHYDROXY-5-OXO-HEXANEDIOATE    ' non-polymer        19  13 .
GLS      GLS 'BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN ' pyranose           29  17 .
GLT      GLT '5-DEOXY-5-THIO-ALPHA-D-GLUCOSE      ' non-polymer        24  12 .
GLU      GLU 'GLUTAMIC-ACID                       ' peptide            15   9 .
GLV      GLV 'GLYOXYLIC ACID                      ' non-polymer         6   5 .
GLX      GLX 'GLU/GLN AMBIGUOUS                   ' non-polymer        22   9 .
GLY      GLY 'GLYCINE                             ' peptide             7   4 .
GLZ      GLZ 'AMINO-ACETALDEHYDE                  ' non-polymer         9   4 .
GM1      GM1 'AMINOMETHYLAMIDE                    ' non-polymer        11   5 .
GM2      GM2 'N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,' non-polymer       137  52 .
GM3      GM3 'N-{1-[(HEXOPYRANOSYLOXY)METHYL]-2-HY' non-polymer       158  59 .
GM6      GM6 '3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLP' non-polymer        56  28 .
GMA      GMA '4-AMIDO-4-CARBAMOYL-BUTYRIC ACID    ' non-polymer        19  10 .
GMB      GMB '1,7-di-O-phosphono-L-glycero-beta-D-' non-polymer        34  22 .
GMC      GMC '(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYL' non-polymer        39  21 .
GME      GME '5-O-methyl-glutamic acid            ' peptide            21  11 .
GMG      GMG '[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3' non-polymer        46  29 .
GMH      GMH 'L-GLYCERO-D-MANNO-HEPTOPYRANOSE     ' pyranose           28  14 .
GMM      GMM 'GLUCOSE MONOMYCOLATE                ' non-polymer       200  74 .
GMN      GMN '2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY' non-polymer        96  36 .
GMP      GMP 'GUANOSINE                           ' non-polymer        33  20 .
GMS      GMS '2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSP' non-polymer        37  23 .
GMU      GMU '.                                   ' DNA                50  28 .
GMY      GMY 'GELDANAMYCIN                        ' non-polymer        80  40 .
GN1      GN1 '2-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHON' non-polymer        33  19 .
GN7      GN7 'N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHA' DNA                35  23 .
GN8      GN8 '(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBEN' non-polymer        37  25 .
GNA      GNA '2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEU' non-polymer        44  23 .
GNB      GNB 'S-P-NITROBENZYLOXYCARBONYLGLUTATHION' non-polymer        55  33 .
GND      GND '2-AMINO-5-GUANIDINO-PENTANOIC ACID  ' peptide            26  12 .
GNE      GNE '1,N2-ETHENOGUANINE                  ' DNA                37  25 .
GNF      GNF 'N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXY' non-polymer        64  32 .
GNG      GNG '2'-DEOXY-GUANOSINE                  ' non-polymer        32  19 .
GNH      GNH 'AMINOPHOSPHONIC ACID-GUANYLATE ESTER' non-polymer        43  28 .
GNI      GNI '"(3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETH' non-polymer        54  35 .
GNP      GNP 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLAT' non-polymer        48  32 .
GNQ      GNQ 'N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2' non-polymer        70  39 .
GNR      GNR '2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4' non-polymer        26  16 .
GNS      GNS 'N-SULFO-ALPHA-D-GLUCOSAMINE         ' non-polymer        29  16 .
GNT      GNT '(-)-GALANTHAMINE                    ' non-polymer        42  21 .
GO0      GO0 '3-(carboxymethyl)-4,7-dichloro-1H-in' non-polymer        23  18 .
GO1      GO1 '3-(carboxymethyl)-5,7-dichloro-1H-in' non-polymer        23  18 .
GOA      GOA 'GLYCOLIC ACID                       ' non-polymer         8   5 .
GOL      GOL 'GLYCEROL                            ' non-polymer        14   6 .
GOM      GOM 'GLUTAMOL-AMP                        ' non-polymer        53  31 .
GOO      GOO '(1R,2R,3R,4S,5R)-4-amino-5-methoxycy' non-polymer        24  11 .
GOX      GOX '(2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HY' non-polymer        25  13 .
GP1      GP1 'GLUCOSAMINE 1-PHOSPHATE             ' non-polymer        28  16 .
GP2      GP2 'PHOSPHOMETHYLPHOSPHONIC ACID GUANOSY' non-polymer        45  28 .
GP3      GP3 'DIGUANOSINE-5'-TRIPHOSPHATE         ' non-polymer        75  51 .
GP4      GP4 'GLUCOSAMINE 4-PHOSPHATE             ' non-polymer        28  16 .
GP5      GP5 'DIGUANOSINE-PENTAPHOSPHATE          ' non-polymer        83  59 .
GP6      GP6 '1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENY' non-polymer        33  20 .
GP7      GP7 '"(1R)-2-{[(S)-(2-aminoethoxy)(hydrox' non-polymer       113  46 .
GP8      GP8 '1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL' non-polymer        44  26 .
GP9      GP9 '(2R)-2,3-dihydroxypropyl phosphate  ' non-polymer        17  10 .
GPB      GPB '"N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROL' non-polymer        52  31 .
GPC      GPC '2'-FLUOROGUANYLYL-(3'-5')-PHOSPHOCYT' non-polymer        63  40 .
GPD      GPD '(2R,3S,5S,6R)-5-amino-3-hydroxy-6-me' non-polymer        61  37 .
GPE      GPE 'L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMIN' non-polymer        26  13 .
GPF      GPF 'N-(phosphonomethyl)glycine          ' non-polymer        17  10 .
GPG      GPG 'GUANYLYL-2',5'-PHOSPHOGUANOSINE     ' non-polymer        67  43 .
GPH      GPH '4-O-phosphono-D-glycero-beta-D-manno' pyranose           31  18 .
GPI      GPI '(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIM' non-polymer        54  26 .
GPJ      GPJ 'GLYPHOSATE                          ' non-polymer        18  10 .
GPL      GPL '.                                   ' peptide            58  33 .
GPM      GPM 'GLUCOPYRANOSYL-1-METHYL-PHOSPHONIC A' pyranose           31  16 .
GPN      GPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        37  22 .
GPO      GPO '4-O-phosphono-D-glycero-beta-D-manno' non-polymer        31  18 .
GPP      GPP 'GERANYL DIPHOSPHATE                 ' non-polymer        36  19 .
GPR      GPR '(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDRO' non-polymer        60  35 .
GPS      GPS '"L-gamma-glutamyl-S-[(9S,10S)-10-hyd' non-polymer        60  35 .
GPT      GPT '(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en' non-polymer        43  21 .
GPX      GPX '.                                   ' non-polymer        41  31 .
GQL      GQL '(E)-[4-(3,5-difluorophenyl)-3H-pyrro' non-polymer        41  27 .
GR0      GR0 'GERANYLGERANYL MONOPHOSPHATE        ' non-polymer        58  25 .
GR1      GR1 '"6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARB' non-polymer        68  34 .
GR3      GR3 '"3-ACETOXY-17-(1-FORMYL-5-METHYL-3-O' non-polymer        84  39 .
GR4      GR4 '.                                   ' non-polymer       108  52 .
GR6      GR6 '"(3R,3aS,6aR)-hexahydrofuro[2,3-b]fu' non-polymer        86  44 .
GRA      GRA 'glutaryl-coenzyme A                 ' non-polymer        93  56 .
GRD      GRD '"benzyl (S)-1-((2S,3S)-1-(3-(6-amino' non-polymer        78  40 .
GRE      GRE '2,6-DIHYDROXYBENZOIC ACID           ' non-polymer        16  11 .
GRF      GRF '5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAM' non-polymer        24  14 .
GRG      GRG 'GERANYLGERANYL DIPHOSPHATE          ' non-polymer        62  29 .
GRL      GRL '"(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENT' non-polymer        79  39 .
GRM      GRM 'N-(1,3-benzodioxol-5-ylmethyl)-1-[(1' non-polymer        59  31 .
GRO      GRO 'R-2-PHENYL-PROPRIONIC ACID          ' non-polymer        20  11 .
GRR      GRR '(2S)-2-(4-ethylphenoxy)-3-phenylprop' non-polymer        37  20 .
GS1      GS1 '1-THIO-BETA-D-GLUCOPYRANOSE         ' pyranose           24  12 .
GS2      GS2 '2-[(2-{[1-(N,N-dimethylglycyl)-5-met' non-polymer        66  39 .
GS3      GS3 '2-fluoro-6-{[2-({2-methoxy-4-[4-(1-m' non-polymer        69  38 .
GS5      GS5 '5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-' non-polymer        52  30 .
GS6      GS6 '6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-' non-polymer        52  30 .
GS7      GS7 '2-fluoro-6-{[2-({2-methoxy-4-[(methy' non-polymer        55  34 .
GSB      GSB 'S-BENZYL-GLUTATHIONE                ' non-polymer        48  27 .
GSC      GSC '2-ETHYLTHIO GLYCINE                 ' peptide            16   8 .
GS       GS  'GUANOSINE-5'-THIO-MONOPHOSPHATE     ' non-polymer        37  23 .
GSE      GSE 'L-ALPHA-GLYCEROPHOSPHORYLSERINE     ' non-polymer        28  16 .
GSF      GSF 'L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLG' non-polymer        37  22 .
GSG      GSG '"1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,' non-polymer        55  28 .
GSH      GSH 'GLUTATHIONE                         ' non-polymer        35  20 .
GSI      GSI '2-(5-chlorothiophen-2-yl)-N-[(3S)-1-' non-polymer        59  34 .
GSJ      GSJ '"1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLO' non-polymer        67  36 .
GSK      GSK '"6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2' non-polymer        55  31 .
GSL      GSL '"(2S,3R)-3-HYDROXY-2-(TETRADECANOYLA' non-polymer       120  48 .
GSM      GSM 'L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGL' non-polymer        38  21 .
GSN      GSN '2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBA' non-polymer        36  22 .
GSO      GSO 'L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2' non-polymer        52  29 .
GSP      GSP '5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHO' non-polymer        46  32 .
GSQ      GSQ '5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-' non-polymer        53  30 .
GSR      GSR '.                                   ' DNA                52  32 .
GSS      GSS '.                                   ' DNA                52  32 .
GST      GST 'GERANYL S-THIOLODIPHOSPHATE         ' non-polymer        37  19 .
GSU      GSU 'O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE' non-polymer        52  32 .
GSV      GSV '"2-(5-chlorothiophen-2-yl)-N-{(3S)-1' non-polymer        57  35 .
GSW      GSW 'D-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINE ' non-polymer        35  20 .
GSX      GSX '"5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-' non-polymer        53  31 .
GSZ      GSZ 'N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HY' non-polymer        55  27 .
GT9      GT9 'S-NONYL-CYSTEINE                    ' peptide            40  16 .
GTA      GTA 'P1-7-METHYLGUANOSINE-P3-ADENOSINE-5'' non-polymer        78  51 .
GTB      GTB 'S-(P-NITROBENZYL)GLUTATHIONE        ' non-polymer        50  30 .
GTC      GTC '"(1R,2S)-2-(5-thioxo-4,5-dihydro-1H-' non-polymer        27  15 .
GTD      GTD '1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYC' non-polymer        53  35 .
GTF      GTF '.                                   ' non-polymer        40  30 .
GTG      GTG '7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5' non-polymer        79  52 .
GTH      GTH '3-O-GLUCOPYRANOSYL-THREONINE-[2-DEOX' non-polymer        64  33 .
GTL      GTL '(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-' non-polymer        25  13 .
GTM      GTM 'O1-METHYL-4-DEOXY-4-THIO-BETA-D-GLUC' non-polymer        27  13 .
GTP      GTP 'GUANOSINE-5'-TRIPHOSPHATE           ' non-polymer        44  32 .
GTQ      GTQ '2,5-dihydroxybenzoic acid           ' non-polymer        16  11 .
GTR      GTR 'GALACTURONIC ACID                   ' pyranose           22  13 .
GTS      GTS 'GLUTATHIONE SULFONIC ACID           ' non-polymer        38  23 .
GTT      GTT 'GLUTATHIONE                         ' non-polymer        36  20 .
GTX      GTX 'S-HEXYLGLUTATHIONE                  ' non-polymer        54  26 .
GTY      GTY 'L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYL' non-polymer        59  28 .
GTZ      GTZ '(5R, 6S, 7S, 8S)-5-HYDROXYMETHYL-6,7' non-polymer        24  14 .
GU0      GU0 '2,3,6-TRI-O-SULFONATO-ALPHA-L-GALACT' pyranose           33  24 .
GU1      GU1 '2,3-DI-O-METHYL-BETA-D-GLUCOPYRANURO' pyranose           28  15 .
GU2      GU2 '2,3-DI-O-METHYL-ALPHA-L-IDOPYRANURON' pyranose           28  15 .
GU3      GU3 'methyl 3-O-methyl-2,6-di-O-sulfo-alp' pyranose           38  22 .
GU4      GU4 '2,3,4,6-TETRA-O-SULFONATO-ALPHA-D-GL' pyranose           36  28 .
GU5      GU5 '2,3-DI-O-METHYL-6-O-SULFONATO-ALPHA-' pyranose           33  18 .
GU6      GU6 '2,3,6-TRI-O-SULFONATO-ALPHA-D-GLUCOP' pyranose           33  24 .
GU7      GU7 '2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMET' non-polymer        35  19 .
GU8      GU8 '2,3,6-TRI-O-METHYL-BETA-D-GLUCOPYRAN' pyranose           33  15 .
GU9      GU9 '2,3,6-TRI-O-METHYL-ALPHA-D-GLUCOPYRA' pyranose           33  15 .
GUA      GUA 'GLUTARIC ACID                       ' non-polymer        15   9 .
GUB      GUB '9-alpha-L-lyxofuranosyl-N-(2-phenyle' non-polymer        48  27 .
GUD      GUD 'GLUCOSE-URIDINE-C1,5'-DIPHOSPHATE   ' non-polymer        58  36 .
GUI      GUI '"5-CHLORO-N-[2-METHOXY-4-[4-(4-METHY' non-polymer        82  42 .
GUL      GUL '5-FLUORO-BETA-L-GULOSYL FLUORIDE    ' non-polymer        23  13 .
GUM      GUM '4-METHYL-UMBELLIFERYL-N-ACETYL-CHITO' non-polymer        75  41 .
GUN      GUN 'GUANINE                             ' non-polymer        16  11 .
GUP      GUP 'ALPHA-L-GULOPYRANOSIDE              ' pyranose           24  12 .
GUS      GUS '(E)-N-[(5-carbamimidamido-2-hydroxyp' non-polymer        31  18 .
GV9      GV9 '3-(acetylamino)thiophene-2-carboxyli' non-polymer        18  12 .
GVA      GVA '5-{[AMINO(IMINO)METHYL]AMINO}PENTANO' non-polymer        23  11 .
GVB      GVB '(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3' non-polymer        50  24 .
GVC      GVC '1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1' non-polymer        23  17 .
GVD      GVD '[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-' non-polymer        48  29 .
GVE      GVE 'METHYL 4-AMINOBUTANOATE             ' non-polymer        19   8 .
GVF      GVF 'BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIH' non-polymer        28  26 .
GVG      GVG '3-METHYL-4-PHENYL-1H-PYRAZOLE       ' non-polymer        22  12 .
GVH      GVH '1H-PYRROLO[2,3-B]PYRIDINE           ' non-polymer        15   9 .
GVI      GVI 'N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]' non-polymer        31  18 .
GVJ      GVJ '(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHE' non-polymer        38  23 .
GVK      GVK '6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-' non-polymer        48  28 .
GVL      GVL '"O-[(R)-{[(3R)-4-AMINO-3-HYDROXY-2,2' peptide            37  20 .
GVM      GVM '(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ' non-polymer        26  11 .
GVN      GVN '(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYR' non-polymer        37  21 .
GVO      GVO '(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYR' non-polymer        37  21 .
GVP      GVP '4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-' non-polymer        44  24 .
GVQ      GVQ '(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHA' non-polymer        30  16 .
GVR      GVR '(2R)-N-hydroxy-3-naphthalen-2-yl-2-[' non-polymer        50  30 .
GVS      GVS '"ethyl {3-[4-amino-5-{3-[(cyclopropy' non-polymer        50  28 .
GVT      GVT '3,6,9,12,15,18,21,24,27-nonaoxahepta' non-polymer        96  38 .
GW3      GW3 '7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F' non-polymer        39  20 .
GW4      GW4 'N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3' non-polymer        78  43 .
GW5      GW5 '(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-EN' non-polymer        48  27 .
GW6      GW6 '"(6alpha,11alpha,14beta,16alpha,17al' non-polymer        66  37 .
GW7      GW7 'N-{3-chloro-4-[(3-fluorobenzyl)oxy]p' non-polymer        45  28 .
GW9      GW9 '2-chloro-5-nitro-N-phenylbenzamide  ' non-polymer        28  19 .
GWB      GWB '4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO' non-polymer        37  21 .
GWD      GWD '(3E)-3-[(3,5-dibromo-4-hydroxyphenyl' non-polymer        29  21 .
GWE      GWE 'N-{4-[amino(dihydroxy)-lambda~4~-sul' non-polymer        55  36 .
GWI      GWI 'N-({4-[({4-chloro-2-[(3-chloro-5-cya' non-polymer        59  38 .
GWJ      GWJ '2-{4-chloro-2-[(3-chloro-5-cyanophen' non-polymer        51  34 .
GX1      GX1 '2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfan' non-polymer        45  26 .
GXL      GXL 'ALPHA-L-GALACTOPYRANOSE             ' non-polymer        24  12 .
GYC      GYC '"[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETH' non-polymer        36  22 .
GYM      GYM '(2R)-2,3-dihydroxypropyl tetradecano' non-polymer        55  21 .
GYN      GYN 'GYMNODIMINE A                       ' non-polymer        84  37 .
GYP      GYP 'METHYL-ALPHA-D-GLUCOPYRANOSIDE      ' pyranose           27  13 .
GYS      GYS '"[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-' non-polymer        36  22 .
GYT      GYT 'BIS-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GLU' non-polymer        99  49 .
GYU      GYU '2-(ACETYLAMINO)-2-DEOXY-1-O-(PROPYLC' non-polymer        43  21 .
GYV      GYV '2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOX' non-polymer        34  18 .
GZ2      GZ2 '3-(1H-tetrazol-5-ylamino)cyclohex-2-' non-polymer        22  13 .
GZC      GZC '"N,N'''-{ethane-1,2-diylbis[nitrilo(' non-polymer        50  28 .
GZL      GZL 'BETA-D-GALACTOFURANOSE              ' non-polymer        24  12 .
GZZ      GZZ 'N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AM' non-polymer        66  25 .
H01      H01 'PROTOPORPHYRIN IX 2,4-DISULFONIC ACI' non-polymer        76  46 .
H02      H02 'N-METHYL PROTOPORPHYRIN IX 2,4-DISUL' non-polymer        83  43 .
H06      H06 '(E)-4-((2-nicotinoylhydrazono)methyl' non-polymer        33  20 .
H0E      H0E '(10S)-3,3-dimethyl-8-{[(2S)-2-(pheno' non-polymer        61  32 .
H11      H11 '(5S)-2-(cyclooctylamino)-5-methyl-5-' non-polymer        45  19 .
H12      H12 '6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQ' non-polymer        44  22 .
H13      H13 'N-[(1R,3R)-3-hydroxy-1-(hydroxymethy' non-polymer        66  27 .
H15      H15 'N-[(1R,3R)-3-hydroxy-1-(hydroxymethy' non-polymer        72  29 .
H16      H16 '6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PR' non-polymer        44  22 .
H18      H18 '6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PR' non-polymer        45  23 .
H1D      H1D '"(2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDRO' non-polymer        32  17 .
H1L      H1L '"(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROME' non-polymer        34  24 .
H1M      H1M 'methyl 2-deoxy-2-(2-hydroxyethyl)-al' non-polymer        33  15 .
H1N      H1N 'N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN' non-polymer        69  37 .
H1S      H1S 'HEPARIN DISACCHARIDE I-S            ' non-polymer        50  35 .
H20      H20 '6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROP' non-polymer        44  22 .
H21      H21 '5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxo' non-polymer        46  32 .
H22      H22 '5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(' non-polymer        52  32 .
H23      H23 '(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOS' non-polymer        49  21 .
H24      H24 '"(6S)-2-amino-6-(3'-methoxybiphenyl-' non-polymer        45  24 .
H25      H25 '"5-Chloro-thiophene-2-carboxylic aci' non-polymer        53  33 .
H26      H26 '{2-[2-(6-oxo-1,6-dihydro-9H-purin-9-' non-polymer        32  19 .
H2A      H2A '(6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6' non-polymer        60  33 .
H2B      H2B '2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8' non-polymer        30  17 .
H2P      H2P 'HEPTULOSE-2-PHOSPHATE               ' pyranose           30  17 .
H2S      H2S 'HYDROSULFURIC ACID                  ' non-polymer         3   1 .
H2U      H2U '5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE ' RNA                34  21 .
H33      H33 '8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H' non-polymer        21  14 .
H35      H35 'N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMIN' non-polymer        25  16 .
H3P      H3P '2,2'-methanediylbis(3,4,6-trichlorop' non-polymer        27  21 .
H3S      H3S 'HEPARIN DISACCHARIDE III-S          ' non-polymer        47  31 .
H4B      H4B '5,6,7,8-TETRAHYDROBIOPTERIN         ' non-polymer        32  17 .
H4M      H4M '5,10-DIMETHYLENE TETRAHYDROMETHANOPT' non-polymer        96  54 .
H4P      H4P '1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOM' non-polymer        38  21 .
H4Z      H4Z '5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-' non-polymer        97  55 .
H52      H52 '(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINO' non-polymer        43  22 .
H53      H53 '2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYME' non-polymer        35  19 .
H59      H59 'N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-' non-polymer        68  38 .
H5M      H5M 'TRANS-3-HYDROXY-5-METHYLPROLINE     ' P-peptide          20  10 .
H5P      H5P 'HYDANTOCIDIN-5'-PHOSPHATE           ' non-polymer        28  19 .
H5S      H5S '(5S)-5-tert-butyl-1-(4-fluoro-3-meth' non-polymer        69  39 .
H5U      H5U 'N-({3-[(5S)-5-tert-butyl-1-(4-fluoro' non-polymer        62  36 .
H64      H64 '8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULF' non-polymer        49  28 .
H71      H71 '8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO' non-polymer        49  28 .
H7J      H7J 'N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3' non-polymer        55  27 .
H86      H86 '3-(decyloxy)-5-(3,5-difluorophenyl)-' non-polymer        69  35 .
H8H      H8H 'N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-' non-polymer        70  38 .
HA1      HA1 '9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GU' non-polymer        36  22 .
HA2      HA2 '"6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PH' non-polymer        56  29 .
HA3      HA3 'N-hydroxy-5-[(3-phenyl-5,6-dihydroim' non-polymer        42  26 .
HA8      HA8 'N6-(buta-2,3-dienyl)adenine         ' non-polymer        23  14 .
HAB      HAB '.                                   ' non-polymer        27  18 .
HAE      HAE 'ACETOHYDROXAMIC ACID                ' non-polymer        10   5 .
HAG      HAG '4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO' non-polymer        62  31 .
HAH      HAH '(1S,2S,3R,6R)-6-[(2-hydroxybenzyl)am' non-polymer        35  18 .
HAI      HAI 'CYCLOHEXYLAMMONIUM ION              ' non-polymer        21   7 .
HAL      HAL 'N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]' non-polymer        61  33 .
HAM      HAM 'HISTIDYL-ADENOSINE MONOPHOSPHATE    ' non-polymer        54  33 .
HAN      HAN '2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1' non-polymer        37  19 .
HAO      HAO '{[3-(hydrazinocarbonyl)-4-methoxyphe' non-polymer        28  18 .
HAQ      HAQ '5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-' non-polymer        31  18 .
HAR      HAR 'N-OMEGA-HYDROXY-L-ARGININE          ' peptide            26  13 .
HAS      HAS 'HEME-AS                             ' non-polymer       127  65 .
HAV      HAV 'HYDROXYAMINOVALINE                  ' non-polymer        21   9 .
HAX      HAX 'N-HYDROXYAMIDOCARBOXYMETHYLDETHIA CO' non-polymer        87  52 .
HAZ      HAZ '"4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAH' non-polymer        65  33 .
HB1      HB1 'RUTHENIUM-PYRIDOCARBAZOLE-1         ' non-polymer        43  30 .
HBA      HBA 'P-HYDROXYBENZALDEHYDE               ' non-polymer        15   9 .
HBB      HBB 'N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOP' non-polymer        83  40 .
HBC      HBC '(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT' non-polymer        43  22 .
HBD      HBD '4-HYDROXYBENZAMIDE                  ' non-polymer        17  10 .
HBH      HBH '2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[IS' non-polymer        81  41 .
HBI      HBI '7,8-DIHYDROBIOPTERIN                ' non-polymer        30  17 .
HBM      HBM '"2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1' non-polymer        54  34 .
HBN      HBN 'N-(2-NAPHTHYL)HISTIDINAMIDE         ' non-polymer        37  21 .
HBO      HBO '2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-B' non-polymer        24  15 .
HBP      HBP '1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDIN' non-polymer        51  25 .
HBQ      HBQ 'ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OX' non-polymer        37  20 .
HBR      HBR 'R,3-HYDROXYBUTAN-2-ONE              ' non-polymer        14   6 .
HBS      HBS 'S,3-HYDROXYBUTAN-2-ONE              ' non-polymer        14   6 .
HBT      HBT '(6S)-6-methyl-2-{[(2-nitrophenyl)car' non-polymer        42  25 .
HBU      HBU '4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-O' non-polymer        19  11 .
HBX      HBX 'benzaldehyde                        ' non-polymer        14   8 .
HBY      HBY '(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3' non-polymer        42  22 .
HBZ      HBZ 'N-{[(4-hydroxyphenyl)carbonyl]carbam' non-polymer        42  24 .
HC0      HC0 '2 IRON/2 SULFUR/6 CARBONYL/1 WATER I' non-polymer        24  17 .
HC1      HC1 '2 IRON/2 SULFUR/5 CARBONYL/2 WATER I' non-polymer        24  16 .
HC2      HC2 '20-HYDROXYCHOLESTEROL               ' non-polymer        75  29 .
HC3      HC3 '25-HYDROXYCHOLESTEROL               ' non-polymer        75  29 .
HC4      HC4 '.                                   ' non-polymer        19  12 .
HC5      HC5 '(R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-' non-polymer        43  18 .
HC6      HC6 '(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(' non-polymer        64  30 .
HC7      HC7 '"(2S)-2-[4'-({dimethyl[2-(phosphonoo' non-polymer        67  34 .
HC8      HC8 '1-(3-acetyl-4,5-dihydroxy-7-methoxyn' non-polymer        37  21 .
HC9      HC9 '(3alpha,8alpha,22R)-cholest-5-ene-3,' non-polymer        75  29 .
HCA      HCA '3-HYDROXY-3-CARBOXY-ADIPIC ACID     ' non-polymer        21  14 .
HCB      HCB '5-HYDROXYBENZIMIDAZOLYLCOBAMIDE     ' non-polymer       174  90 .
HCC      HCC '2',4,4'-TRIHYDROXYCHALCONE          ' non-polymer        31  19 .
HCG      HCG 'DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTE' non-polymer        38  21 .
HCI      HCI 'HYDROCINNAMIC ACID                  ' non-polymer        20  11 .
HCN      HCN '2 IRON/2 SULFUR/3 CARBONYL/2 CYANIDE' non-polymer        28  18 .
HCO      HCO '2-ACETYL-PROTOPORPHYRIN IX          ' non-polymer        76  44 .
HCP      HCP '"1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PH' non-polymer        43  25 .
HCR      HCR '7-HYDROXYCHOLESTEROL                ' non-polymer        75  29 .
HCS      HCS '2-AMINO-4-MERCAPTO-BUTYRIC ACID     ' peptide            16   8 .
HCT      HCT '(2R)-butane-1,2,4-tricarboxylic acid' non-polymer        20  13 .
HCX      HCX '(SOUTH) BICYCLO[3.1.0]HEXANE        ' non-polymer        25  12 .
HCY      HCY '(11alpha,14beta)-11,17,21-trihydroxy' non-polymer        56  26 .
HCZ      HCZ '6-chloro-3,4-dihydro-2H-1,2,4-benzot' non-polymer        25  17 .
HDA      HDA 'HADACIDIN                           ' non-polymer        12   8 .
HDB      HDB '(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DI' non-polymer        34  18 .
HDC      HDC '3R-HYDROXYDECANOYL-COENZYME A       ' non-polymer       110  60 .
HDD      HDD 'CIS-HEME D HYDROXYCHLORIN GAMMA-SPIR' non-polymer        75  44 .
HDF      HDF '8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHY' non-polymer        43  26 .
HDI      HDI '3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-IS' non-polymer        30  17 .
HDL      HDL 'D-arabinohydroxamic acid            ' non-polymer        21  13 .
HDM      HDM 'DIMETHYL PROPIONATE ESTER HEME      ' non-polymer        81  45 .
HDN      HDN 'METHYLHYDRAZINE                     ' non-polymer         7   3 .
HDS      HDS '1-HEXADECANOSULFONIC ACID           ' non-polymer        54  20 .
HDT      HDT '4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRI' non-polymer        40  26 .
HDU      HDU 'N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-' non-polymer        33  20 .
HDY      HDY '1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYL' non-polymer        57  31 .
HDZ      HDZ 'NITROGEN MOLECULE                   ' non-polymer         2   2 .
HE1      HE1 '4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHO' non-polymer        29  16 .
HE2      HE2 'HEXAN-1-OL                          ' non-polymer        21   7 .
HE3      HE3 '2-HYDROXYETHYL DIHYDROTHIACHROME DIP' non-polymer        48  29 .
HE4      HE4 'HEPTAN-1-OL                         ' non-polymer        24   8 .
HE5      HE5 'ZINC(II)-DEUTEROPORPHYRIN DIMETHYLES' non-polymer        75  41 .
HE6      HE6 '6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHY' non-polymer        59  37 .
HE7      HE7 '"4-{[(14beta,17alpha)-3-hydroxyestra' non-polymer        54  27 .
HEA      HEA 'HEME-A                              ' non-polymer       114  60 .
HEB      HEB 'HEME B/C                            ' non-polymer        75  43 .
HEC      HEC 'HEME C                              ' non-polymer        75  43 .
HED      HED '2-HYDROXYETHYL DISULFIDE            ' non-polymer        18   8 .
HEE      HEE 'N-HEXYLPHOSPHONATE ETHYL ESTER      ' non-polymer        31  12 .
HEF      HEF '1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL' non-polymer        37  21 .
HEG      HEG 'PROTOPORPHYRIN IX CONTAINING MG     ' non-polymer        73  43 .
HEH      HEH 'HEDAMYCIN                           ' non-polymer       106  54 .
HEL      HEL '(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-' non-polymer        54  29 .
HEM      HEM 'PROTOPORPHYRIN IX CONTAINING FE     ' non-polymer        73  43 .
HEN      HEN '"2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOO' non-polymer        42  27 .
HEO      HEO 'HEME O                              ' non-polymer       115  59 .
HEP      HEP 'PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHO' non-polymer        44  23 .
HEQ      HEQ '"3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-CY' non-polymer        96  42 .
HES      HES 'ZINC SUBSTITUTED HEME C             ' non-polymer        75  43 .
HET      HET '3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLP' non-polymer        64  34 .
HEU      HEU '3-(2-HYDROXYETHYL)-2'-DEOXYURIDINE-5' DNA                38  23 .
HEV      HEV '5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPH' non-polymer        75  45 .
HEX      HEX 'HEXANE                              ' non-polymer        20   6 .
HEY      HEY '"(2E)-2-[({3-HYDROXY-2-METHYL-5-[(PH' non-polymer        44  27 .
HEZ      HEZ 'HEXANE-1,6-DIOL                     ' non-polymer        22   8 .
HF1      HF1 '4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUT' non-polymer        29  17 .
HF2      HF2 '(2R)-2-hydroxy-3-phenylpropanoic aci' non-polymer        21  12 .
HF3      HF3 'SMALLEST HF-OXO-PHOSPHATE CLUSTER HF' non-polymer        26  19 .
HF5      HF5 'HF OXO CLUSTER HF5                  ' non-polymer        38  26 .
HFA      HFA 'ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ' non-polymer        21  12 .
HFB      HFB 'hexafluorobenzene                   ' non-polymer        12  12 .
HFL      HFL '5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-B' non-polymer        27  15 .
HFM      HFM '2-FORMYL-PROTOPORPHRYN IX           ' non-polymer        73  43 .
HFP      HFP 'ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID' non-polymer        53  20 .
HFS      HFS '1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)' non-polymer        38  21 .
HFT      HFT 'HYDROXYFLUTAMIDE                    ' non-polymer        31  20 .
HFV      HFV 'DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTE' non-polymer        47  30 .
HFZ      HFZ '"6-(trifluoromethyl)-3,4-dihydro-2H-' non-polymer        28  20 .
HG2      HG2 'DIBROMOMERCURY                      ' non-polymer         3   3 .
HG9      HG9 '1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL' non-polymer        60  25 .
HGA      HGA 'GLUTAMINE HYDROXAMATE               ' non-polymer        20  11 .
HGB      HGB '4-(HYDROXYMERCURY)BENZOIC ACID      ' non-polymer        16  11 .
HG       HG  'MERCURY (II) ION                    ' non-polymer         1   1 .
HGG      HGG '.                                   ' non-polymer        94  57 .
HGI      HGI 'MERCURY (II) IODIDE                 ' non-polymer         3   3 .
HGL      HGL '(2S)-2-amino-4-(2-amino-6-oxo-1,6-di' peptide            29  18 .
HGP      HGP '(1-HEXADECANOYL-2-TETRADECANOYL-GLYC' non-polymer       124  48 .
HGS      HGS 'D-gamma-glutamyl-L-cysteinyl-beta-al' non-polymer        38  21 .
HGT      HGT '(2-((2R,3S,4R,5S,6S)-3-AMINO-4,5-DIH' non-polymer        39  19 .
HGU      HGU 'N-HYDROXYGUANIDINE                  ' non-polymer        10   5 .
HGX      HGX '1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYC' non-polymer       124  48 .
HH1      HH1 '"(3S)-TETRAHYDROFURAN-3-YL (1R)-3-{(' non-polymer        87  46 .
HH2      HH2 '6-HYDROXYMETHYLPTERIN-DIPHOSPHATE   ' non-polymer        28  22 .
HH3      HH3 '(2S)-hydroxy[(phenylcarbonyl)amino]e' non-polymer        22  14 .
HHA      HHA '(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYA' non-polymer        19  11 .
HHG      HHG '(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPY' non-polymer        34  17 .
HHH      HHH '(2S)-hydroxy(4-hydroxyphenyl)ethanoi' non-polymer        19  12 .
HHI      HHI '(2Z)-3-(1H-imidazol-5-yl)-2-iminopro' non-polymer        17  11 .
HHK      HHK '(2S)-2,8-DIAMINOOCTANOIC ACID       ' peptide            29  12 .
HHO      HHO '1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-' non-polymer        33  12 .
HHR      HHR '6-HYDROXYMETHYLPTERIN               ' non-polymer        21  14 .
HHS      HHS '6-CARBOXYPTERIN                     ' non-polymer        19  15 .
HHV      HHV '5-[(pyridin-3-ylmethyl)amino]-1H-pyr' non-polymer        27  16 .
HI1      HI1 '"METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4' non-polymer        92  47 .
HI5      HI5 '2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOS' non-polymer        44  21 .
HI6      HI6 '4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDRO' non-polymer        37  21 .
HIA      HIA 'L-HISTIDINE AMIDE                   ' non-polymer        21  11 .
HIB      HIB '4-HYDROXY-5-IODO-2,3-DIMETHOXY-6-MET' non-polymer        26  16 .
HIC      HIC '4-METHYL-HISTIDINE                  ' peptide            22  12 .
HIE      HIE '4-[6,6-dimethyl-4-oxo-3-(trifluorome' non-polymer        60  33 .
HIF      HIF 'FE(III)-(4-MESOPORPHYRINONE)        ' non-polymer        78  44 .
HII      HII '2-METHYL-3-(2-AMINOTHIAZOLO)PROPANAL' non-polymer        21  11 .
HIN      HIN '(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYL' non-polymer        43  22 .
HIO      HIO 'N-HYDROXY-N-ISOPROPYLOXAMIC ACID    ' non-polymer        18  10 .
HIP      HIP 'ND1-PHOSPHONOHISTIDINE              ' peptide            25  15 .
HIQ      HIQ '1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ET' peptide            31  17 .
HIS      HIS 'HISTIDINE                           ' peptide            18  10 .
HIT      HIT '2-(ALPHA-HYDROXYISOVALERYL) PROPIONI' non-polymer        25  12 .
HIU      HIU '(2R)-3-HYDROXY-2-METHYLPROPANOIC ACI' non-polymer        14   7 .
HIZ      HIZ '1-{4-[(1S)-1-amino-2-(benzyloxy)ethy' non-polymer        46  28 .
HJ2      HJ2 '"(2R)-2-[(R)-{[(6S)-6-amino-6-carbox' non-polymer        46  26 .
HJ3      HJ3 '"(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-6-' non-polymer        48  25 .
HJZ      HJZ '3-[2-(trans-4-methylcyclohexyl)pheny' non-polymer        50  27 .
HKL      HKL 'Fe(III) pyropheophorbide-a methyl es' non-polymer        76  42 .
HKV      HKV '4,5-DIOXOPENTANOIC ACID             ' non-polymer        14   9 .
HL2      HL2 '(2S,3R)-2-amino-3-hydroxy-4-methylpe' peptide            22  10 .
HL4      HL4 'N-[(3S)-2-oxotetrahydrofuran-3-yl]bu' non-polymer        25  12 .
HLE      HLE '3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC' non-polymer        28  13 .
HLO      HLO '1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHY' non-polymer        41  24 .
HLT      HLT '2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHA' non-polymer         8   7 .
HLU      HLU 'BETA-HYDROXYLEUCINE                 ' peptide            22  10 .
HLZ      HLZ '1-hydrazinophthalazine              ' non-polymer        20  12 .
HM2      HM2 '5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-' non-polymer        40  23 .
HM4      HM4 'TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMIN' non-polymer        38  22 .
HM5      HM5 '3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1' non-polymer        37  21 .
HMA      HMA 'HYDROXYAMINOALANINE                 ' non-polymer        15   7 .
HMB      HMB '(4S)-4-hydroxy-4-methoxybutanoic aci' non-polymer        18   9 .
HMC      HMC '5-HYDROXYMETHYL-CHONDURITOL         ' non-polymer        24  12 .
HMD      HMD '4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-' non-polymer        29  19 .
HME      HME 'PORPHYCENE CONTAINING FE            ' non-polymer        77  43 .
HMF      HMF '2-AMINO-4-PHENYL-BUTYRIC ACID       ' peptide            25  13 .
HMG      HMG '3-HYDROXY-3-METHYLGLUTARYL-COENZYME ' non-polymer        97  58 .
HMH      HMH '4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRI' non-polymer        19  10 .
HMI      HMI '2-HYDROXYCARBAMOYL-4-METHYL-PENTANOI' non-polymer        24  12 .
HMK      HMK '(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BE' non-polymer        34  22 .
HMM      HMM '5-HYDROXYMETHYL-2-METHYL-5,8-DIHYDRO' non-polymer        25  14 .
HMN      HMN '2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARB' non-polymer        41  21 .
HMO      HMO '4'-HYDROXY-7-METHOXYISOFLAVONE      ' non-polymer        32  20 .
HMR      HMR 'BETA-HOMOARGININE                   ' non-polymer        28  13 .
HMS      HMS '5-O-phosphono-L-ribulose            ' non-polymer        23  14 .
HMT      HMT '(3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(' non-polymer        78  39 .
HMU      HMU '5-HYDROXYMETHYL URACIL              ' non-polymer        16  10 .
HMY      HMY '(1aR,8S,13S,14S,15aR)-5,13,14-trihyd' non-polymer        49  27 .
HN2      HN2 '1-phenyl-2-[(1S,2R,5R,8R,8aR)-1,2,8-' non-polymer        42  21 .
HN3      HN3 '1-(4-methylphenyl)-2-[(1S,2R,5R,8R,8' non-polymer        45  22 .
HN4      HN4 '1-(4-tert-butylphenyl)-2-[(1S,2R,5R,' non-polymer        54  25 .
HN5      HN5 '(1S,2R,5S,8R,8aR)-5-[2-(4-tert-butyl' non-polymer        55  24 .
HN6      HN6 '(1S,2R,5R,8R,8aR)-5-[2-(4-tert-butyl' non-polymer        55  24 .
HN7      HN7 '1-(4-tert-butylphenyl)-2-[(1S,2R,5S,' non-polymer        54  25 .
HNA      HNA '1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE' non-polymer        28  21 .
HNB      HNB '(2S,5R)-5-pentyltetrahydrofuran-2-ol' non-polymer        29  11 .
HNC      HNC 'S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)h' peptide            40  18 .
HND      HND '(4S)-nonane-1,4-diol                ' non-polymer        31  11 .
HNE      HNE '(2E,4R)-4-HYDROXYNON-2-ENAL         ' non-polymer        27  11 .
HNF      HNF '7-nitro-9H-fluoren-2-ol             ' non-polymer        26  17 .
HNI      HNI 'PROTOPORPHYRIN IX CONTAINING NI(II) ' non-polymer        73  43 .
HNL      HNL '5-[(2S)-1-methylpyrrolidin-2-yl]pyri' non-polymer        27  13 .
HNT      HNT '[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQ' non-polymer        27  15 .
HO2      HO2 '(9E,11E,13S)-13-hydroxyoctadeca-9,11' non-polymer        52  21 .
HO3      HO3 'HOLMIUM (III) ATOM                  ' non-polymer         1   1 .
HOA      HOA 'HYDROXYAMINE                        ' non-polymer         5   2 .
HOB      HOB '"BETA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY-' non-polymer       108  46 .
HOC      HOC '(2S)-2-HYDROXYOCTANOIC ACID         ' non-polymer        26  11 .
HO       HO  'HOLMIUM ATOM                        ' non-polymer         1   1 .
HOE      HOE '2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-P' non-polymer        57  32 .
HOH      HOH 'WATER                               ' non-polymer         3   1 .
HOL      HOL '"ALPHA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY' DNA               107  47 .
HOM      HOM '7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHY' non-polymer        28  16 .
HOP      HOP '(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-P' non-polymer        54  28 .
HOQ      HOQ '"(1R)-2-(1-CARBOXY-2-HYDROXY-2-METHY' non-polymer        35  18 .
HOS      HOS 'Phomopsin A                         ' non-polymer        98  55 .
HOX      HOX '4-amino-L-phenylalanine             ' peptide            24  13 .
HOZ      HOZ '(4S)-4,5-DIAMINOPENTANOIC ACID      ' non-polymer        20   9 .
HP0      HP0 '"(3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-h' non-polymer        54  25 .
HP1      HP1 'IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POL' non-polymer        88  48 .
HP2      HP2 'HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POL' non-polymer        89  48 .
HP6      HP6 'HEPTANE                             ' non-polymer        23   7 .
HP7      HP7 '"(2S,3S,4R,5R,6R)-5-acetamido-6-[[[(' non-polymer        62  40 .
HP8      HP8 '5'-O-{[(2,3-dihydroxyphenyl)carbonyl' non-polymer        51  33 .
HPA      HPA 'HYPOXANTHINE                        ' non-polymer        14  10 .
HPD      HPD '1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHA' non-polymer        24  13 .
HPE      HPE 'HOMOPHENYLALANINE                   ' peptide            25  13 .
HPF      HPF '1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCERO' non-polymer        30  18 .
HPH      HPH 'PHENYLALANINDIOL                    ' non-polymer        25  12 .
HPI      HPI 'N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLAL' non-polymer        57  32 .
HPK      HPK '(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE ' non-polymer        25  16 .
HPL      HPL 'HEPTYLFORMAMIDE                     ' non-polymer        27  10 .
HPM      HPM 'N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDI' non-polymer        70  39 .
HPN      HPN 'HEPTANAMIDE                         ' non-polymer        24   9 .
HPO      HPO '2-OXOHEPTYLPHOSPHONIC ACID          ' non-polymer        27  12 .
HPP      HPP 'HYDROXYPHENYL PROPIONIC ACID        ' non-polymer        21  12 .
HPQ      HPQ 'HOMOPHENYLALANINYLMETHANE           ' non-polymer        28  13 .
HPR      HPR '6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOS' non-polymer        33  19 .
HPS      HPS 'PHENYL DIHYDROGEN PHOSPHATE         ' non-polymer        16  11 .
HPT      HPT '6-HYDROXYPROPYLTHYMINE              ' non-polymer        25  13 .
HPV      HPV '2-oxo-3-(phosphonooxy)propanoic acid' non-polymer        13  11 .
HPX      HPX '(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA' non-polymer        25  16 .
HPY      HPY '4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2' non-polymer        14   8 .
HPZ      HPZ '(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA' non-polymer        25  16 .
HQ6      HQ6 'N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy' non-polymer        34  16 .
HQA      HQA '3-(8-hydroxyquinolin-3-yl)-L-alanine' peptide            28  17 .
HQC      HQC '"3-{6-[(8-HYDROXY-QUINOLINE-2-CARBON' non-polymer        58  34 .
HQD      HQD '3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE' non-polymer        22  13 .
HQI      HQI 'N-(8-hydroxyquinolin-5-yl)acetamide ' non-polymer        25  15 .
HQL      HQL '4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL' non-polymer        55  28 .
HQO      HQO '2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE' non-polymer        40  19 .
HQP      HQP '4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-Y' non-polymer        45  28 .
HQQ      HQQ '5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMI' non-polymer        37  23 .
HQU      HQU '3-HYDROXYQUINALDIC ACID             ' non-polymer        20  14 .
HQY      HQY 'quinolin-8-ol                       ' non-polymer        18  11 .
HR1      HR1 '"(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISO' non-polymer        73  41 .
HR2      HR2 '"(3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISO' non-polymer        72  38 .
HRB      HRB 'N-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-2-P' non-polymer        51  25 .
HRG      HRG 'L-HOMOARGININE                      ' peptide            28  13 .
HRI      HRI 'ALPHA-CHLOROISOCAPROIC ACID         ' non-polymer        19   9 .
HRM      HRM '7-METHOXY-1-METHYL-9H-BETA-CARBOLINE' non-polymer        28  16 .
HRP      HRP '5-HYDROXY-L-TRYPTOPHAN              ' peptide            27  16 .
HS1      HS1 '2-[[(2S)-2,3-dihydroxypropyl]-(4-met' non-polymer        38  22 .
HS2      HS2 '2-deoxy-4-O-(4-deoxy-alpha-L-threo-h' non-polymer        48  26 .
HS3      HS3 '(2R)-3-hydroxy-2-[(4-methoxyphenyl)s' non-polymer        31  19 .
HS4      HS4 'N-oxo-2-[(4-phenylphenyl)sulfonylami' non-polymer        33  21 .
HS5      HS5 '2-[(4-fluorophenyl)sulfonyl-(2-hydro' non-polymer        30  19 .
HS6      HS6 '2-[(4-fluorophenyl)sulfonylamino]-N-' non-polymer        23  16 .
HS7      HS7 'N-oxo-2-(phenylsulfonylamino)ethanam' non-polymer        23  15 .
HS8      HS8 '3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L' peptide            24  15 .
HS9      HS9 'N-ALPHA-METHYL-L-HISTIDINAMIDE      ' non-polymer        24  12 .
HSA      HSA 'PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-' non-polymer        24  14 .
HSD      HSD '(1S,2S,3R,6R)-6-amino-4-(hydroxymeth' non-polymer        25  12 .
HSE      HSE 'L-HOMOSERINE                        ' non-polymer        16   8 .
HSF      HSF '1-HEXADECYLSULFONYL FLUORIDE        ' non-polymer        53  20 .
HSG      HSG 'octyl alpha-L-altropyranoside       ' non-polymer        48  20 .
HSH      HSH 'octyl beta-D-galactopyranoside      ' non-polymer        48  20 .
HSI      HSI '(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]B' non-polymer        52  28 .
HSL      HSL 'HOMOSERINE LACTONE                  ' non-polymer        14   7 .
HSM      HSM 'HISTAMINE                           ' non-polymer        17   8 .
HSO      HSO 'HISTIDINOL                          ' non-polymer        20  10 .
HSP      HSP '4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHO' non-polymer        32  17 .
HSQ      HSQ '2-(acetylamino)-2-deoxy-alpha-L-idop' pyranose           30  15 .
HSS      HSS '5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADEN' non-polymer        54  33 .
HST      HST '4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-' non-polymer        44  20 .
HSW      HSW 'N-hydroxysulfamide                  ' non-polymer        10   6 .
HSX      HSX '5-O-phosphono-alpha-D-ribofuranose  ' non-polymer        23  14 .
HSY      HSY 'alpha-L-xylopyranose                ' pyranose           20  10 .
HT1      HT1 '2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PI' non-polymer        62  34 .
HT2      HT2 '5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-B' non-polymer        48  30 .
HT5      HT5 '(4S)-4-(decanoylamino)-5-hydroxy-3,4' non-polymer        46  18 .
HTA      HTA '"N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-M' non-polymer        56  27 .
HTC      HTC '3-{[(4-CARBOXY-2-HYDROXYANILINE]SULF' non-polymer        29  22 .
HT       HT  '2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-P' non-polymer        56  32 .
HTD      HTD '"2-[(9aR)-2,7-dimethyl-9a,10-dihydro' non-polymer        41  26 .
HTF      HTF 'N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAM' non-polymer        37  16 .
HTG      HTG 'HEPTYL 1-THIOHEXOPYRANOSIDE         ' non-polymer        45  19 .
HTI      HTI '(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SU' peptide            27  15 .
HTJ      HTJ '6-phenyl-1-(pyridin-4-ylmethyl)-1H-p' non-polymer        38  25 .
HTL      HTL '2-ACETYL-THIAMINE DIPHOSPHATE       ' non-polymer        47  29 .
HTM      HTM '"6-(3-HYDROXYPROPOXY)-5-ACETAMIDO-5,' non-polymer        35  19 .
HTN      HTN '(3R)-3-hydroxy-N-methyl-D-asparagine' peptide            20  11 .
HTO      HTO 'HEPTANE-1,2,3-TRIOL                 ' non-polymer        26  10 .
HTP      HTP '4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5' non-polymer        26  14 .
HTQ      HTQ 'HOMOTROPINE                         ' non-polymer        41  20 .
HTR      HTR 'BETA-HYDROXYTRYPTOPHANE             ' peptide            27  16 .
HTS      HTS '2-MERCAPTOPHENOL                    ' non-polymer        14   8 .
HTX      HTX 'heptan-2-one                        ' non-polymer        22   8 .
HU1      HU1 '"TERT-BUTYL {(1S)-2-[(1R,2S,5S)-2-({' non-polymer        85  39 .
HU2      HU2 '"(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISO' non-polymer        96  45 .
HU4      HU4 '"TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({' non-polymer        86  40 .
HU5      HU5 '(1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOB' non-polymer        82  37 .
HUB      HUB 'HUPERZINE B                         ' non-polymer        39  19 .
HUD      HUD '"TERT-BUTYL [(1S)-1-{[(1R,2S,5S)-2-(' non-polymer        78  36 .
HUP      HUP 'HUPERAINE A                         ' non-polymer        36  18 .
HUX      HUX '3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAH' non-polymer        40  21 .
HV1      HV1 '"METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4' non-polymer        91  48 .
HV7      HV7 '1-METHYLAMINE-2-HYDROXY-4-METHOXY-BE' non-polymer        22  11 .
HV8      HV8 'BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTA' non-polymer        48  25 .
HVA      HVA '3-hydroxy-L-valine                  ' peptide            19   9 .
HWD      HWD '2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-' non-polymer        22  14 .
HWG      HWG '"N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-' non-polymer        57  29 .
HX0      HX0 'N,N,N-trioctyloctan-1-aminium       ' non-polymer       101  33 .
HXA      HXA 'DOCOSA-4,7,10,13,16,19-HEXAENOIC ACI' non-polymer        55  24 .
HXB      HXB '.                                   ' non-polymer        45  30 .
HXC      HXC 'HEXANOYL-COENZYME A                 ' non-polymer        97  55 .
HXD      HXD '(3R)-3-HYDROXYDODECANOIC ACID       ' non-polymer        38  15 .
HXH      HXH '(1S,2S,3R,6R)-6-[(4-phenoxybenzyl)am' non-polymer        45  24 .
HXL      HXL '2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)' non-polymer        46  28 .
HXP      HXP '3,6-DIHYDROXY-XANTHENE-9-PROPIONIC A' non-polymer        34  21 .
HXS      HXS '4-[(1R,2S)-1-ethyl-2-(4-hydroxypheny' non-polymer        42  20 .
HXX      HXX '3,6-dichloro-2-hydroxybenzoic acid  ' non-polymer        15  12 .
HXZ      HXZ '.                                   ' non-polymer        48  31 .
HY0      HY0 'HYGROMYCIN B VARIANT                ' non-polymer        73  36 .
HY1      HY1 'PHENYLACETALDEHYDE                  ' non-polymer        17   9 .
HY2      HY2 '2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-' non-polymer        83  44 .
HY3      HY3 '3-HYDROXYPROLINE                    ' non-polymer        17   9 .
HYA      HYA '2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACI' non-polymer        19  10 .
HYB      HYB '[2-(2-METHYL-PROPANE-2-SULFONYLMETHY' non-polymer        82  40 .
HYC      HYC 'O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ES' non-polymer       100  49 .
HYE      HYE '(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en' non-polymer        44  21 .
HYF      HYF '4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,' non-polymer        91  39 .
HYG      HYG 'HYGROMYCIN B                        ' non-polymer        73  36 .
HYI      HYI '"(2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDRO' non-polymer        32  17 .
HYM      HYM '(4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H' non-polymer        29  20 .
HYN      HYN 'imidazolidine-2,4-dione             ' non-polymer        11   7 .
HYP      HYP '4-HYDROXYPROLINE                    ' P-peptide          17   9 .
HYQ      HYQ 'REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAH' non-polymer        44  26 .
HYZ      HYZ 'N-[1-(3-fluorobenzyl)-1H-indazol-5-y' non-polymer        60  33 .
HZ1      HZ1 '.                                   ' non-polymer       144  67 .
HZ3      HZ3 '"dimethyl (1R,4S)-5,6-bis(4-hydroxyp' non-polymer        47  29 .
HZH      HZH '1,1,1-trifluoro-3-[(2-phenylethyl)su' non-polymer        27  16 .
HZP      HZP '(4S)-4-hydroxy-L-proline            ' P-peptide          17   9 .
I01      I01 '"(4R)-4-(2-FLUORO-6-HYDROXY-3-METHOX' non-polymer        63  37 .
I02      I02 '3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYL' non-polymer        69  39 .
I03      I03 '"(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROP' non-polymer        71  39 .
I04      I04 'N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-' non-polymer        64  37 .
I05      I05 '(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-' non-polymer        64  36 .
I06      I06 '2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-' non-polymer        34  20 .
I08      I08 '(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6' non-polymer        64  36 .
I0G      I0G '(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2' non-polymer        39  21 .
I10      I10 '1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]A' non-polymer        65  34 .
I11      I11 '[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRI' non-polymer        68  32 .
I12      I12 'N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-' non-polymer        90  44 .
I15      I15 '5-[(5-fluoro-3-methyl-1H-indazol-4-y' non-polymer        31  22 .
I17      I17 '2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6' non-polymer        61  30 .
I19      I19 'N-(4-{[(3S)-3-(dimethylamino)pyrroli' non-polymer        63  33 .
I1H      I1H '3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-M' non-polymer        64  35 .
I1N      I1N '(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDR' non-polymer        22  12 .
I1P      I1P '2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPH' non-polymer        56  32 .
I20      I20 '"(2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)' non-polymer        73  38 .
I21      I21 '2-[(5R)-5-amino-5-methyl-4,16-dioxo-' non-polymer        67  40 .
I22      I22 'D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE    ' non-polymer        31  18 .
I24      I24 '2-butoxy-9-(2,6-difluorobenzyl)-N-(2' non-polymer        60  32 .
I25      I25 '"(2R)-({4-[AMINO(IMINO)METHYL]PHENYL' non-polymer        64  31 .
I26      I26 '"(2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]' non-polymer        64  32 .
I2C      I2C '"5'-O-[(S)-hydroxy{[2-hydroxy-3,5-di' non-polymer        58  36 .
I2H      I2H '5-[[(2R)-2-cyclopropyl-7,8-dimethoxy' non-polymer        50  26 .
I2M      I2M '3-methyl-L-alloisoleucine           ' peptide            24  10 .
I2P      I2P 'D-MYO-INOSITOL-2,4,5-TRIPHOSPHATE   ' non-polymer        33  24 .
I38      I38 'N-(3-MERCAPTOPROPANOYL)-D-ALANINE   ' non-polymer        21  11 .
I39      I39 '[3-amino-2-(2-methylphenyl)-1-oxidop' non-polymer        39  25 .
I3A      I3A '1H-INDOLE-3-CARBALDEHYDE            ' non-polymer        18  11 .
I3C      I3C '5-amino-2,4,6-triiodobenzene-1,3-dic' non-polymer        18  16 .
I3N      I3N '1-BENZYL-5-METHOXY-2-METHYL-1H-INDOL' non-polymer        41  23 .
I3P      I3P 'D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE   ' non-polymer        33  24 .
I3S      I3S '(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOS' non-polymer        33  24 .
I40      I40 '9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAH' non-polymer        42  23 .
I42      I42 'HYDROXY(DIOXIDO)OXOVANADIUM         ' non-polymer         6   5 .
I45      I45 '3-{3-bromo-4-[(2,4-difluorobenzyl)ox' non-polymer        49  30 .
I46      I46 '2-fluoro-4-[4-(4-fluorophenyl)-1H-py' non-polymer        28  19 .
I47      I47 '2-{4-[5-(4-chlorophenyl)-4-pyrimidin' non-polymer        48  28 .
I48      I48 'N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)' non-polymer        49  27 .
I4A      I4A '"5-(3-carbamoylbenzyl)-5,6,7,8,9,10-' non-polymer        48  27 .
I4B      I4B 'ISOBUTYLBENZENE                     ' non-polymer        24  10 .
I4P      I4P '(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSP' non-polymer        36  28 .
I50      I50 'N-[2-({[amino(imino)methyl]amino}oxy' non-polymer        51  30 .
I52      I52 'N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-P' non-polymer        82  40 .
I58      I58 '4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE  ' peptide            29  14 .
I59      I59 'HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ' non-polymer        27  16 .
I5A      I5A '5'-deoxy-5'-iodocytidine            ' non-polymer        29  17 .
I5P      I5P 'INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHA' non-polymer        39  32 .
I5S      I5S 'ISOQUINOLINE-5-SULFONIC ACID (2-(2-(' non-polymer        50  28 .
I6P      I6P 'INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHAT' non-polymer        42  36 .
I7A      I7A '4,5-DICHLOROBENZENE-1,3-DISULFONAMID' non-polymer        22  16 .
I7B      I7B '4-AMINO-6-CHLOROBENZENE-1,3-DISULFON' non-polymer        24  16 .
I7C      I7C '4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1' non-polymer        27  19 .
I7T      I7T '7-IODOTETRACYCLINE                  ' non-polymer        52  31 .
I84      I84 '[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMI' non-polymer        48  27 .
I96      I96 'N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLM' non-polymer        40  22 .
IAA      IAA '.                                   ' non-polymer        37  25 .
IAB      IAB 'ISO-ACARBOSE                        ' non-polymer        87  44 .
IAC      IAC '1H-INDOL-3-YLACETIC ACID            ' non-polymer        21  13 .
IA       IA  '2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPE' non-polymer        56  32 .
IAD      IAD 'N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACI' non-polymer        33  21 .
IAG      IAG 'N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID' non-polymer        28  17 .
IAM      IAM '4-[(ISOPROPYLAMINO)METHYL]PHENYLALAN' peptide            36  17 .
IAP      IAP '4-IODO-ACETAMIDO PHENYLBORONIC ACID ' non-polymer        23  14 .
IAR      IAR '(2E)-5-[(diaminomethylidene)amino]-2' non-polymer        23  12 .
IAV      IAV 'N-[1H-INDOL-3-YL-ACETYL]VALINE ACID ' non-polymer        37  20 .
IB2      IB2 'P1-P2-METHYLENE-P3-THIO-DIADENOSINE ' non-polymer        78  49 .
IBA      IBA '"4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYM' non-polymer        51  25 .
IBB      IBB '5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPH' non-polymer        50  30 .
IBC      IBC '3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEP' non-polymer        30  17 .
IB       IB  '2'-(3-IODO-4-METHOXYPHENYL)-5-(4-MET' non-polymer        60  34 .
IBD      IBD '2-amino-4-{2,4-dichloro-5-[2-(diethy' non-polymer        56  31 .
IBF      IBF '1,2,3,4,5-pentafluoro-6-iodobenzene ' non-polymer        12  12 .
IBG      IBG 'GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTE' non-polymer        48  28 .
IBI      IBI 'N-{trans-4-[4-(cyclopropylmethyl)pip' non-polymer        95  45 .
IBM      IBM '3-ISOBUTYL-1-METHYLXANTHINE         ' non-polymer        30  16 .
IBN      IBN '2-METHYLPROPAN-1-AMINE              ' non-polymer        16   5 .
IBO      IBO '2-METHYLPROPANAMIDE                 ' non-polymer        15   6 .
IBP      IBP 'IBUPROFEN                           ' non-polymer        32  15 .
IBR      IBR '.                                   ' non-polymer        28  16 .
IBS      IBS 'L-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITO' non-polymer        43  29 .
IBU      IBU '2-methylpropyl hydrogen carbonate   ' non-polymer        18   8 .
IBZ      IBZ '2-IODOBENZYLTHIO GROUP              ' non-polymer        16   9 .
IC1      IC1 '3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLE' non-polymer        40  23 .
IC3      IC3 '[2-(5-amino-4-cyano-1H-pyrazol-1-yl)' non-polymer        28  21 .
IC8      IC8 '"2-[(6-AMINO-9H-PURIN-9-YL)METHYL]-5' non-polymer        49  30 .
ICA      ICA 'ISOCITRATE CALCIUM COMPLEX          ' non-polymer        18  14 .
ICC      ICC 'azepan-2-one                        ' non-polymer        19   8 .
IC       IC  'ISOCYTIDINE-5'-MONOPHOSPHATE        ' RNA                33  21 .
ICF      ICF '1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUO' non-polymer        12  10 .
I        I   'INOSINIC ACID                       ' RNA                34  23 .
ICJ      ICJ '(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1' non-polymer        86  34 .
ICL      ICL '"[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMO' non-polymer        47  24 .
ICN      ICN '(S)-2-HYDROXY-2,3-DIMETHYLBUTANENITR' non-polymer        19   8 .
ICO      ICO '1H-INDOLE-3-CARBOXYLIC ACID         ' non-polymer        18  12 .
ICP      ICP '2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-' non-polymer        16   9 .
ICR      ICR '"(4R)-5-IMINO-1-(5-O-PHOSPHONO-BETA-' non-polymer        33  22 .
ICT      ICT 'ISOCITRIC ACID                      ' non-polymer        18  13 .
ICU      ICU 'METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMIN' non-polymer        31  19 .
ICX      ICX '"methyl N-[(5Z)-6-({[4-(4-iodobenzyl' non-polymer        55  30 .
ID2      ID2 '5-IODODEOXYURIDINE                  ' non-polymer        28  17 .
ID5      ID5 '"[5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3' non-polymer        37  28 .
IDA      IDA '(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDR' non-polymer        37  20 .
IDB      IDB '"3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHEN' non-polymer        46  34 .
IDC      IDC '5-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-I' non-polymer        47  25 .
IDD      IDD '(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-PH' non-polymer        36  20 .
IDE      IDE '(5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,' non-polymer        41  22 .
IDG      IDG 'O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDO' pyranose           26  12 .
IDH      IDH '(5S)-5-IODODIHYDRO-2,4(1H,3H)-PYRIMI' non-polymer        14   9 .
IDI      IDI '7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLI' non-polymer        21  11 .
IDM      IDM 'INDOLINE                            ' non-polymer        18   9 .
IDN      IDN '(E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-' non-polymer        50  28 .
IDP      IDP 'INOSINE-5'-DIPHOSPHATE              ' non-polymer        38  27 .
IDR      IDR 'L-IDURONIC ACID                     ' pyranose           22  13 .
IDS      IDS 'O2-SULFO-GLUCURONIC ACID            ' pyranose           26  17 .
IDU      IDU '2-O-sulfo-beta-L-altropyranuronic ac' pyranose           26  17 .
IDX      IDX '2-O-sulfo-alpha-L-gulopyranuronic ac' pyranose           26  17 .
IDZ      IDZ '3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE' non-polymer        28  18 .
IEL      IEL 'N~6~-[(1Z)-ethanimidoyl]-L-lysine   ' peptide            29  13 .
IEM      IEM '5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-' non-polymer        37  19 .
IET      IET '1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLOR' non-polymer        35  23 .
IEY      IEY '2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-4-(' non-polymer        40  25 .
IFA      IFA '.                                   ' non-polymer        39  25 .
IFB      IFB 'N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOB' non-polymer        35  24 .
IFC      IFC 'N-[2-methyl-5-({[3-(4-methyl-1H-imid' non-polymer        52  34 .
IFG      IFG '(2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDR' non-polymer        30  14 .
IFL      IFL '(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYM' non-polymer        22  11 .
IFM      IFM '5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERID' non-polymer        23  10 .
IFP      IFP '2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYR' non-polymer        16  12 .
IFS      IFS 'bis(1-methylethyl) [2-(sulfanylmethy' non-polymer        39  18 .
IGC      IGC 'N-[(1S,2R,3E)-1-({[ALPHA-D-GALACTOPY' non-polymer       144  63 .
IG       IG  'ISOGUANOSINE-5'-MONOPHOSPHATE       ' RNA                36  24 .
IGL      IGL 'ALPHA-AMINO-2-INDANACETIC ACID      ' peptide            26  14 .
IGN      IGN '"{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO' non-polymer        68  31 .
IGP      IGP 'INDOLE-3-GLYCEROL PHOSPHATE         ' non-polymer        31  19 .
IGU      IGU '2'-DEOXYISOGUANINE-5'-MONOPHOSPHATE ' DNA                35  23 .
IH1      IH1 '"2-[2-(4-BROMO-BENZENESULFONYL)-ETHY' non-polymer        65  36 .
IH2      IH2 '"2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3' non-polymer        75  39 .
IH3      IH3 '"2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3' non-polymer        76  41 .
IH4      IH4 'N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHE' non-polymer        88  44 .
IH5      IH5 '[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-3,' non-polymer        38  23 .
IH6      IH6 '(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SUL' non-polymer        48  26 .
IHB      IHB '3-IODO-4-HYDROXYBENZOIC ACID        ' non-polymer        15  11 .
IHD      IHD '1-IODOHEXADECANE                    ' non-polymer        50  17 .
IHE      IHE '6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPI' non-polymer        55  27 .
IHG      IHG 'N-ISOPROPYL-N'-HYDROXYGUANIDINE     ' non-polymer        19   8 .
IHH      IHH '[4-({4-[(5-cyclopropyl-1H-pyrazol-3-' non-polymer        48  29 .
IHI      IHI '9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-' non-polymer        56  32 .
IHJ      IHJ '9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPE' non-polymer        66  34 .
IHN      IHN 'N-(3-methylbutanoyl)-L-valyl-N-[(1R,' non-polymer       110  48 .
IHP      IHP 'INOSITOL HEXAKISPHOSPHATE           ' non-polymer        42  36 .
IHS      IHS 'D-MYO-INOSITOL-HEXASULPHATE         ' non-polymer        48  36 .
IHU      IHU 'N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-H' non-polymer        35  23 .
IHX      IHX '3-[3-(4-methylpiperazin-1-yl)-7-(tri' non-polymer        47  28 .
IHZ      IHZ '5-[(2-methyl-5-{[3-(trifluoromethyl)' non-polymer        47  30 .
II2      II2 '5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANY' non-polymer        41  26 .
II4      II4 '1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5' non-polymer        30  17 .
IIA      IIA '1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3' non-polymer        60  33 .
IIB      IIB '1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3' non-polymer        64  36 .
IIC      IIC '4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CH' non-polymer        34  20 .
IID      IID 'N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-M' non-polymer        61  30 .
IIE      IIE '1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOET' non-polymer        61  32 .
IIG      IIG 'N-cyclopropyl-N-(cis-4-cyclopropyl-4' non-polymer        57  29 .
IIL      IIL 'ISO-ISOLEUCINE                      ' peptide            21   9 .
IIN      IIN '2-METHYL-3-AMINO-3-PHENYLISOINDOL-1-' non-polymer        32  18 .
IIP      IIP 'IMIDAZOLE-PYRROLE POLYAMIDE         ' non-polymer        88  47 .
IK2      IK2 '4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5' non-polymer        33  21 .
IK8      IK8 '"1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N' non-polymer        58  38 .
IKR      IKR '"methyl (2E)-{2-[(4-iodo-2,5-dimethy' non-polymer        45  25 .
IKT      IKT '3-(1-AMINOETHYL)NONANEDIOIC ACID    ' non-polymer        35  16 .
ILA      ILA 'N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMIN' non-polymer        57  31 .
ILB      ILB '.                                   ' non-polymer        43  30 .
ILC      ILC '.                                   ' non-polymer        39  26 .
ILE      ILE 'ISOLEUCINE                          ' peptide            19   8 .
ILF      ILF '.                                   ' non-polymer        39  30 .
ILG      ILG 'GLUTAMYL GROUP                      ' peptide            18   9 .
ILH      ILH '.                                   ' non-polymer        41  32 .
ILI      ILI 'N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-' non-polymer        70  38 .
ILO      ILO 'N5-IMINOETHYL-L-ORNITHINE           ' non-polymer        26  12 .
ILP      ILP 'N-[O-PHOSPHONO-PYRIDOXYL]-ISOLEUCINE' non-polymer        44  24 .
ILT      ILT 'MONOIMIDAZOLE LEXITROPSIN           ' non-polymer        58  31 .
ILX      ILX '4,5-DIHYDROXYISOLEUCINE             ' peptide            23  11 .
IM1      IM1 '.                                   ' non-polymer        81  39 .
IM2      IM2 '"3-(2-FORMIMIDOYLAMINO-ETHYLSULFANYL' non-polymer        38  20 .
IM3      IM3 '(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINO' non-polymer        22  14 .
IM4      IM4 '(2E)-1-[(6-chloropyridin-3-yl)methyl' non-polymer        27  17 .
IM8      IM8 '2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-M' non-polymer        55  30 .
IM9      IM9 '2-{4-[4-({4-[2-methyl-1-(1-methyleth' non-polymer        61  32 .
IMA      IMA '[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL' non-polymer        77  41 .
IMB      IMB '[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-M' non-polymer        32  20 .
IMC      IMC '"N1-[2-DEOXY-RIBOFURANOSYL]-[2-AMINO' DNA                35  21 .
IMD      IMD 'IMIDAZOLE                           ' non-polymer        10   5 .
IME      IME 'TETRA(IMIDAZOLE)DIAQUACOPPER (II)   ' non-polymer        37  23 .
IMF      IMF 'TETRA(IMIDAZOLE)DIAQUACOPPER (I)    ' non-polymer        43  23 .
IMG      IMG '1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZA' non-polymer        35  20 .
IMH      IMH '1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPO' non-polymer        33  19 .
IMI      IMI '2-IMINOBIOTIN                       ' non-polymer        32  16 .
IMJ      IMJ '(2E)-N-[(1,2-dimethyl-1H-indol-3-yl)' non-polymer        53  29 .
IMK      IMK '2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1' pyranose           39  21 .
IML      IML 'N-METHYL-ISOLEUCINE                 ' M-peptide          24  10 .
IMM      IMM '1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL' non-polymer        40  25 .
IMN      IMN 'INDOMETHACIN                        ' non-polymer        40  25 .
IMO      IMO '6-O-PHOSPHORYL INOSINE MONOPHOSPHATE' non-polymer        37  27 .
IMP      IMP 'INOSINIC ACID                       ' non-polymer        34  23 .
IMQ      IMQ '(2R,3R,4S)-2-(hydroxymethyl)-1-(quin' non-polymer        38  20 .
IMR      IMR 'IMINORIBITOL                        ' non-polymer        20   9 .
IMS      IMS '2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-M' non-polymer        55  30 .
IMT      IMT '4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOX' non-polymer        16  10 .
IMU      IMU '"PHOSPHORIC ACID MONO-[5-(2-AMINO-4-' non-polymer        38  24 .
IMX      IMX '"[(1R,2R)-2-{[(5-fluoro-1H-indol-2-y' non-polymer        42  26 .
IMY      IMY '1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISO' non-polymer        71  39 .
IMZ      IMZ 'CIS-[4,5-BIS-(4-BROMOPHENYL)-2-(2-ET' non-polymer        75  41 .
IN0      IN0 '"N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHY' non-polymer        69  40 .
IN1      IN1 'PROPIONIC ACID 2,2-DIHYDROXY-3-(1-GL' non-polymer        47  23 .
IN2      IN2 'N,N-DIMETHYLCARBAMOYL-ALPHA-AZALYSIN' non-polymer        33  15 .
IN3      IN3 '1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5' non-polymer        73  40 .
IN4      IN4 '"+/-METHYL 4-(AMINOIMINOMETHYL)-BETA' non-polymer        50  26 .
IN5      IN5 '"{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOX' non-polymer        38  22 .
IN6      IN6 '"N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-' non-polymer        82  43 .
IN7      IN7 '[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENE' non-polymer        47  26 .
IN8      IN8 '"[2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-' non-polymer        46  28 .
IN9      IN9 '2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2' non-polymer        37  27 .
INA      INA '1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCIN' non-polymer        82  42 .
INB      INB '1-OCTADECYL-2-ACETAMIDO-2-DEOXY-SN-G' non-polymer        88  35 .
INC      INC '2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PE' non-polymer        31  14 .
IN       IN  'INDIUM (III) ION                    ' non-polymer         1   1 .
IND      IND 'INDOLE                              ' non-polymer        16   9 .
INE      INE '3-BROMO-7-NITROINDAZOLE             ' non-polymer        17  13 .
INF      INF 'D-[(N-HYDROXYAMINO)CARBONYL]PHENYLAL' non-polymer        27  16 .
ING      ING 'D-[(AMINO)CARBONYL]PHENYLALANINE    ' non-polymer        26  15 .
INH      INH 'N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHE' non-polymer        69  35 .
INI      INI '5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-P' non-polymer        35  21 .
INJ      INJ '5-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYR' non-polymer        53  27 .
INK      INK '(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-M' non-polymer        32  16 .
INL      INL '6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN' non-polymer        51  30 .
INM      INM '"4-AMINO-6-[N-(3-METHOXYLPROPYL)-2H-' non-polymer        36  21 .
INN      INN '"3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)M' non-polymer        66  29 .
INO      INO '2-HYDROXYISONICOTINIC ACID N-OXIDE  ' non-polymer        15  11 .
INP      INP '4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/' non-polymer        85  42 .
INQ      INQ '6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN' non-polymer        48  29 .
INR      INR '.                                   ' non-polymer        34  24 .
INS      INS '1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE ' non-polymer        24  12 .
INU      INU 'N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHY' non-polymer        63  34 .
INV      INV '4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL' non-polymer        34  21 .
INW      INW '4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPH' non-polymer        34  22 .
INX      INX '"2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)' non-polymer        77  43 .
INZ      INZ '"2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-P' non-polymer        69  39 .
IOA      IOA '4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPH' non-polymer        34  22 .
IOB      IOB '3-IODO-BENZYL ALCOHOL               ' non-polymer        16   9 .
IOC      IOC '4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOR' non-polymer        34  23 .
IOD      IOD 'IODIDE ION                          ' non-polymer         1   1 .
IOE      IOE '4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOR' non-polymer        34  23 .
IOF      IOF '4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOR' non-polymer        34  23 .
IOG      IOG 'N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYL' non-polymer        78  39 .
IOK      IOK 'N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYL' non-polymer        56  30 .
IOL      IOL '4-IODOPHENOL                        ' non-polymer        13   8 .
IOM      IOM '(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ' non-polymer        19   9 .
ION      ION 'ARISTOLOCHENE                       ' non-polymer        39  15 .
IOP      IOP 'INDOLYLPROPIONIC ACID               ' non-polymer        24  14 .
IOS      IOS '3-SULFOOXY-1H-INDOLE                ' non-polymer        21  14 .
IOT      IOT '.                                   ' non-polymer        64  38 .
IOY      IOY 'P-IODO-D-PHENYLALANINE              ' peptide            22  13 .
IP0      IP0 '2-(1-methylethyl)phenol             ' non-polymer        22  10 .
IP1      IP1 'ISOPENICILLIN N                     ' non-polymer        43  24 .
IP2      IP2 'D-MYO-INOSITOL-4,5-BISPHOSPHATE     ' non-polymer        30  20 .
IP3      IP3 '1-HYDROXY-3-METHYLBUTANE            ' non-polymer        18   6 .
IP4      IP4 '1-METHYL-2-OXY-5,5-DIMETHYL PYRROLID' non-polymer        22   9 .
IP5      IP5 '"(1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOH' non-polymer        39  32 .
IP6      IP6 'N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDI' non-polymer        42  24 .
IP7      IP7 'N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2' non-polymer        55  32 .
IP8      IP8 'Isopentenyl phosphate               ' non-polymer        19  10 .
IP9      IP9 '"(2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-' non-polymer        94  51 .
IPA      IPA 'ISOPROPYL ALCOHOL                   ' non-polymer        12   4 .
IPB      IPB '5-METHYL-2-(1-METHYLETHYL)PHENOL    ' non-polymer        25  11 .
IPC      IPC '3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-' non-polymer        47  27 .
IPD      IPD 'D-MYO-INOSITOL-1-PHOSPHATE          ' non-polymer        27  16 .
IPE      IPE '3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHO' non-polymer        23  14 .
IPF      IPF 'N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACE' non-polymer       130  66 .
IPG      IPG 'N-ISOPROPYL GLYCINE                 ' M-peptide          18   8 .
IPH      IPH 'PHENOL                              ' non-polymer        13   7 .
IPK      IPK '2-({4-[(4-benzylpiperidin-1-yl)carbo' non-polymer        58  32 .
IPL      IPL 'INDOLE-3-PROPANOL PHOSPHATE         ' non-polymer        29  17 .
IPM      IPM '3-ISOPROPYLMALIC ACID               ' non-polymer        22  12 .
IPN      IPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        33  20 .
IPO      IPO 'PARA-IODO-D-PHENYLALANINE HYDROXAMIC' non-polymer        25  14 .
IPP      IPP '(P-IODOPHENYLACETYLAMINO)METHYLPHOSP' non-polymer        26  15 .
IPR      IPR 'ISOPENTYL PYROPHOSPHATE             ' non-polymer        25  14 .
IPT      IPT 'ISOPROPYL-1-BETA-D-THIOGALACTOSIDE  ' pyranose           33  15 .
IPU      IPU 'S-ISOPROPYL-ISOTHIOUREA             ' non-polymer        17   7 .
IPX      IPX '"4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2' non-polymer        48  28 .
IPY      IPY 'IMIDAZOLE-PYRROLE POLYAMIDE         ' non-polymer        89  47 .
IPZ      IPZ '2-ISOPROPYL-3-METHOXYPYRAZINE       ' non-polymer        23  11 .
IQA      IQA '(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUIN' non-polymer        33  22 .
IQB      IQB 'N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-' non-polymer        47  27 .
IQO      IQO '1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]q' non-polymer        71  42 .
IQP      IQP '1-(5-ISOQUINOLINESULFONYL)-2-METHYLP' non-polymer        37  20 .
IQS      IQS 'N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOL' non-polymer        33  18 .
IQU      IQU 'N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFO' non-polymer        30  17 .
IQX      IQX 'N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-' non-polymer        44  28 .
IQZ      IQZ '(12bS)-1,2,3,4,12,12b-hexahydroindol' non-polymer        34  18 .
IR3      IR3 'IRIDIUM (III) ION                   ' non-polymer         1   1 .
IRB      IRB '.                                   ' non-polymer        34  25 .
IR       IR  'IRIDIUM ION                         ' non-polymer         1   1 .
IRE      IRE '3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-' non-polymer        55  31 .
IRF      IRF '1-DEOXY-1-(8-IODO-7-METHYL-2,4-DIOXO' non-polymer        44  27 .
IRI      IRI 'IRIDIUM HEXAMMINE ION               ' non-polymer        25   7 .
IRN      IRN '1-(5-O-phosphono-beta-D-ribofuranosy' non-polymer        29  18 .
IRP      IRP '(1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DI' non-polymer        36  23 .
IS1      IS1 '3-[(1E)-3-oxo-3-({4-[1-(phenylcarbon' non-polymer        76  38 .
IS2      IS2 '[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPH' non-polymer        27  15 .
IS3      IS3 'Isopentenyl Diphosphate Beta-S      ' non-polymer        27  14 .
ISA      ISA '3-(4-IODO-PHENYL)-2-MERCAPTO-PROPION' non-polymer        21  13 .
ISC      ISC 'ISOCHORISMATE                       ' non-polymer        24  16 .
ISD      ISD '(5R)-5-[(1R)-1,2-DIHYDROXYETHYL]-3,4' non-polymer        20  12 .
ISE      ISE '(2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydr' non-polymer        22  12 .
ISF      ISF '.                                   ' non-polymer        29  19 .
ISH      ISH '(7R)-7-[(dimethylamino)methyl]-1-[3-' non-polymer        50  23 .
ISI      ISI '(7S)-7-[(dimethylamino)methyl]-1-[3-' non-polymer        50  23 .
ISM      ISM '5-AMINO-2-(2-METHOXY-2-OXOETHYL)BENZ' non-polymer        25  15 .
ISN      ISN 'ISATIN                              ' non-polymer        16  11 .
ISO      ISO 'PARA-ISOPROPYLANILINE               ' non-polymer        23  10 .
ISP      ISP 'PHOSPHORYLISOPROPANE                ' non-polymer        15   8 .
ISQ      ISQ 'ISOQUINOLINE                        ' non-polymer        17  10 .
ISS      ISS '(2E)-3-[(4-hydroxy-2-oxobutyl)amino]' non-polymer        22  11 .
IST      IST 'ISOSTATINE                          ' non-polymer        28  12 .
ISU      ISU 'SE-ETHYL-ISOSELENOUREA              ' non-polymer        14   6 .
ISX      ISX 'GLUCOSE BETA-1,3-ISOFAGAMINE        ' non-polymer        44  21 .
ISZ      ISZ '4-(DIAZENYLCARBONYL)PYRIDINE        ' non-polymer        15  10 .
IT1      IT1 '"(E)-N~6~-({3-hydroxy-2-methyl-5-[(p' peptide            44  25 .
ITA      ITA '"{4-[(CARBOXYMETHOXY)CARBONYL]-3,3-D' non-polymer        36  27 .
ITB      ITB '"2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRO' non-polymer        30  23 .
ITD      ITD '.                                   ' non-polymer        61  27 .
ITL      ITL '"(3alpha,5alpha,8alpha)-3-[(N,N-bis{' non-polymer       118  58 .
ITM      ITM 'ISOCITRIC ACID-MAGNESIUM COMPLEX    ' non-polymer        18  14 .
ITP      ITP 'PHOSPHORIC ACID MONO-(2,3,4,6-TETRAH' non-polymer        30  20 .
ITR      ITR 'IMINO-TRYPTOPHAN                    ' non-polymer        24  15 .
ITT      ITT '.                                   ' non-polymer        42  31 .
ITU      ITU 'ETHYLISOTHIOUREA                    ' non-polymer        14   6 .
IU5      IU5 'ISO-URSODEOXYCHOLIC ACID            ' non-polymer        67  28 .
IU       IU  '5-IODOURIDINE-5'-MONOPHOSPHATE      ' RNA                32  22 .
IUM      IUM 'URANYL (VI) ION                     ' non-polymer         3   3 .
IUR      IUR '5-IODOURACIL                        ' non-polymer        12   9 .
IVA      IVA 'ISOVALERIC ACID                     ' non-polymer        16   7 .
IVK      IVK '"(3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FL' non-polymer        58  37 .
IVS      IVS '"3-HYDROXY-6-METHYL-4-(3-METHYL-2-(3' non-polymer        81  34 .
IW1      IW1 '2,6-dibromo-4-[(E)-2-(2,6-dichloroph' non-polymer        27  19 .
IW2      IW2 '2,6-dibromo-4-[2-(2,6-dichlorophenyl' non-polymer        29  19 .
IW3      IW3 '4-[(E)-2-(4-aminophenyl)ethenyl]-2,6' non-polymer        29  18 .
IW4      IW4 '4-[(E)-2-(3-aminophenyl)ethenyl]-2,6' non-polymer        30  18 .
IW5      IW5 '4-[(E)-2-(4-aminophenyl)ethenyl]-2,6' non-polymer        30  18 .
IW6      IW6 '2,6-dibromo-4-[(E)-2-(2,6-dimethoxyp' non-polymer        36  21 .
IWD      IWD '2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHY' non-polymer        22  15 .
IX1      IX1 '"5-(3-{3-[3-HYDROXY-2-(METHOXYCARBON' non-polymer        49  31 .
IX6      IX6 '"(11S)-10-[(2,5-dimethyl-1,3-oxazol-' non-polymer        73  41 .
IXD      IXD '4-deoxy-2-O-sulfo-beta-D-erythro-hex' non-polymer        23  16 .
IXH      IXH '8-(2,3-dihydro-1H-inden-5-yl)-2-({4-' non-polymer        69  38 .
IXM      IXM '(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'' non-polymer        32  21 .
IXN      IXN '"2-(4-dodecyl-1H-1,2,3-triazol-1-yl)' non-polymer        92  49 .
IXS      IXS '"N-[(1S)-1-benzyl-2-{[(1S)-2-(isobut' non-polymer        90  46 .
IXX      IXX '3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-D' non-polymer        45  21 .
IYG      IYG 'N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYC' non-polymer        35  22 .
IYR      IYR '3-IODO-TYROSINE                     ' peptide            23  14 .
IYT      IYT 'N-ALPHA-ACETYL-3,5-DIIODOTYROSYL-D-T' non-polymer        42  25 .
IYX      IYX '1-[5-(3,4-dimethoxyphenyl)-1-benzoth' non-polymer        40  22 .
IYZ      IYZ '1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IM' non-polymer        41  23 .
IZ1      IZ1 'N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxo' non-polymer        64  41 .
IZ2      IZ2 'N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl' non-polymer        67  42 .
IZ3      IZ3 '3-fluoro-N-[(1S)-1-[4-[(2-fluorophen' non-polymer        62  40 .
IZ4      IZ4 'N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxo' non-polymer        69  40 .
IZ5      IZ5 'N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxo' non-polymer        70  41 .
IZA      IZA '2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H' non-polymer        39  23 .
IZB      IZB 'N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{' non-polymer        67  40 .
IZC      IZC '2H-IMIDAZOL-4-YLACETIC ACID         ' non-polymer        14   9 .
IZD      IZD 'ISOTHIAZOLIDINONE ANALOG            ' non-polymer        60  34 .
IZE      IZE 'N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXO' non-polymer        52  36 .
IZF      IZF '"METHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1' non-polymer        81  47 .
IZX      IZX '1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxad' non-polymer        51  31 .
IZZ      IZZ '(2S)-2-{[3-(3-aminophenyl)imidazo[1,' non-polymer        44  23 .
J01      J01 '"(2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-' non-polymer        22  14 .
J07      J07 '4-{[5-chloro-4-(1H-indol-3-yl)pyrimi' non-polymer        51  28 .
J0Z      J0Z 'benzyl acetate                      ' non-polymer        21  11 .
J11      J11 '"N-{(3R,4S)-4-[(6-amino-4-methylpyri' non-polymer        57  27 .
J12      J12 'N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1' non-polymer        86  43 .
J14      J14 '"N-{(3S,4R)-4-[(6-amino-4-methylpyri' non-polymer        57  27 .
J15      J15 'N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1' non-polymer        74  37 .
J1Z      J1Z 'thieno[3,2-b]thiophene              ' non-polymer        12   8 .
J2Z      J2Z '(9beta,13alpha,16beta)-3,16-dihydrox' non-polymer        43  21 .
J3Z      J3Z '(9beta,13alpha)-3-hydroxyestra-1,3,5' non-polymer        42  20 .
J43      J43 '4-{[6-chloro-5-formyl-2-(methylsulfa' non-polymer        33  22 .
J45      J45 '4-[(6-chloro-5-nitropyrimidin-4-yl)a' non-polymer        29  21 .
J4Z      J4Z 'N-anthracen-2-yl-5-methyl[1,2,4]tria' non-polymer        40  25 .
J54      J54 '(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO' non-polymer        30  17 .
J5Z      J5Z '5-methyl-N-[4-(trifluoromethyl)pheny' non-polymer        31  21 .
J60      J60 '5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3' non-polymer        56  29 .
J67      J67 '"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxi' non-polymer        51  32 .
J6Z      J6Z '(2R)-butane-2-sulfonate             ' non-polymer        17   8 .
J71      J71 '4-{[(6-methoxy-5-nitropyrimidin-4-yl' non-polymer        36  23 .
J72      J72 '"(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-b' non-polymer        37  25 .
J75      J75 '4-({[6-(benzylamino)-5-nitropyrimidi' non-polymer        47  29 .
J77      J77 '(METHYLPYRIDAZINE PIPERIDINE ETHYLOX' non-polymer        54  27 .
J78      J78 '(METHYLPYRIDAZINE PIPERIDINE PROPYLO' non-polymer        57  28 .
J7Z      J7Z '"(2S)-3-[(6-O-alpha-D-galactopyranos' non-polymer       148  68 .
J80      J80 '(METHYLPYRIDAZINE PIPERIDINE BUTYLOX' non-polymer        60  29 .
J88      J88 '"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxi' non-polymer        47  30 .
J8Z      J8Z '"(2R)-2-[(1-benzothiophen-2-ylcarbon' non-polymer        45  27 .
J90      J90 '4-{[(5-nitro-6-oxo-1,6-dihydropyrimi' non-polymer        33  22 .
J9Z      J9Z '(2R)-2-[(1-benzothiophen-2-ylcarbony' non-polymer        42  26 .
JAN      JAN '6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHY' non-polymer        56  34 .
JAR      JAR '6-[(3S,4S)-1-benzyl-4-methylpyrrolid' non-polymer        51  26 .
JAS      JAS 'JASPISAMIDE A                       ' non-polymer       125  61 .
JB1      JB1 '(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1' non-polymer        77  31 .
JC1      JC1 '(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1' non-polymer        77  31 .
JCB      JCB 'N-(P-TOLUENESULFONYL)-INDOLE        ' non-polymer        32  19 .
JCL      JCL '4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAH' non-polymer        28  18 .
JDR      JDR '4-({[6-chloro-5-formyl-2-(methylsulf' non-polymer        36  23 .
JE2      JE2 '(4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydr' non-polymer        78  41 .
JEF      JEF '.                                   ' non-polymer       104  41 .
JEN      JEN '3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PI' non-polymer        41  21 .
JFD      JFD '6-amino-5-bromo-1,2,3,4-tetrahydropy' non-polymer        14  10 .
JGZ      JGZ '4-(4-{[4-(4-cyano-2,6-dimethylphenox' non-polymer        60  34 .
JH0      JH0 '.                                   ' non-polymer       159  74 .
JH3      JH3 'methyl (2E,6E)-9-[(2R)-3,3-dimethylo' non-polymer        45  19 .
JHM      JHM '2-deoxy-6-O-sulfo-alpha-D-arabino-he' non-polymer        27  15 .
JHZ      JHZ '.                                   ' non-polymer        60  35 .
JI1      JI1 '3-({(3S,4S)-4-[(6-aminopyridin-2-yl)' non-polymer        40  18 .
JI2      JI2 'N-{(3S,4S)-4-[(6-aminopyridin-2-yl)m' non-polymer        38  17 .
JI3      JI3 '"N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRI' non-polymer        54  26 .
JI4      JI4 '"N-{(3S,4S)-4-[(6-amino-4-methylpyri' non-polymer        57  27 .
JI5      JI5 '"N-{(3R,4R)-4-[(6-amino-4-methylpyri' non-polymer        57  27 .
JI7      JI7 '"N-{(3R,4S)-4-[(6-amino-4-methylpyri' non-polymer        54  26 .
JIM      JIM '(2R)-2,3-dihydroxypropyl acetate    ' non-polymer        19   9 .
JIN      JIN '6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-' non-polymer        44  29 .
JJ3      JJ3 '(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(' non-polymer        46  24 .
JJZ      JJZ '4-[2-(anthracen-9-ylmethylidene)hydr' non-polymer        51  31 .
JK1      JK1 '3-{4-[(phenylcarbamoyl)amino]-1H-pyr' non-polymer        61  36 .
JK2      JK2 '3-{5-[(2-fluorophenyl)amino]-1H-inda' non-polymer        63  38 .
JK3      JK3 '5-bromo-N-(3-chloro-2-(4-(prop-2-yny' non-polymer        42  25 .
JKZ      JKZ '4-(trifluoromethyl)-1,5,6,7-tetrahyd' non-polymer        22  14 .
JLZ      JLZ '3-fluoro-4-methylbenzenecarboximidam' non-polymer        20  11 .
JM1      JM1 'FLOURINATED PYRIDOCARBAZOLE CYCLOPEN' non-polymer        43  31 .
JM2      JM2 'N~5~-[2-(methylsulfanyl)ethanimidoyl' non-polymer        30  14 .
JM4      JM4 'N~5~-{3-[(1-methylethyl)sulfanyl]pro' non-polymer        39  17 .
JM5      JM5 'N~5~-[2-(propylsulfanyl)ethanimidoyl' non-polymer        36  16 .
JM6      JM6 'N~5~-[4-(methylsulfanyl)butanimidoyl' non-polymer        36  16 .
JM7      JM7 'N~5~-[2-(ethylsulfanyl)ethanimidoyl]' non-polymer        33  15 .
JM8      JM8 'N~5~-[(3-(ethylsulfanyl)propanimidoy' non-polymer        36  16 .
JMQ      JMQ '(2R,3R,4S)-2-(hydroxymethyl)-1-[(4-h' non-polymer        36  20 .
JN3      JN3 'CHENODEOXYCHOLIC ACID               ' non-polymer        67  28 .
JN5      JN5 '(2S)-1,3-benzothiazol-2-yl{2-[(2-pyr' non-polymer        43  27 .
JNF      JNF 'N-cyclohexyl-4-imidazo[1,2-a]pyridin' non-polymer        44  23 .
JNH      JNH '1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPI' non-polymer        49  24 .
JNJ      JNJ '1-(3-amino-1,2-benzisoxazol-5-yl)-6-' non-polymer        61  39 .
JNK      JNK '"N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-' non-polymer        56  31 .
JNO      JNO '2-{4-[(4-imidazo[1,2-a]pyridin-3-ylp' non-polymer        50  27 .
JOS      JOS '.                                   ' non-polymer       127  58 .
JP1      JP1 'N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHE' non-polymer        41  25 .
JPA      JPA '4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIP' non-polymer        37  23 .
JPC      JPC '3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)A' non-polymer        44  28 .
JPJ      JPJ '2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLE' non-polymer        40  24 .
JPL      JPL '5-(cyclohexa-1,5-dien-1-ylmethyl)-2-' non-polymer        39  23 .
JPM      JPM '5-benzyl-2-(2,4-dichlorophenoxy)phen' non-polymer        37  23 .
JPN      JPN '2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLP' non-polymer        43  25 .
JPR      JPR '1-(3-chloro-4-methylphenyl)-3-{2-[({' non-polymer        49  25 .
JQ1      JQ1 '(6S)-6-(2-tert-butoxy-2-oxoethyl)-4-' non-polymer        57  31 .
JRR      JRR '6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl' non-polymer        56  27 .
JRS      JRS '6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl' non-polymer        56  27 .
JRZ      JRZ '(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-' non-polymer        47  20 .
JS4      JS4 '.                                   ' non-polymer       106  49 .
JS5      JS5 '.                                   ' non-polymer       113  52 .
JS7      JS7 '4-{2-[(6-methoxy-5-nitropyrimidin-4-' non-polymer        39  24 .
JSR      JSR '6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl' non-polymer        56  27 .
JSS      JSS '6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl' non-polymer        56  27 .
JST      JST 'BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-' non-polymer        32  18 .
JSZ      JSZ '"ethyl 4-({(2S)-2-hydroxy-3-[(1-meth' non-polymer        49  24 .
JT5      JT5 'N~2~-(biphenyl-4-ylsulfonyl)-N-hydro' non-polymer        42  24 .
JT6      JT6 '3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hyd' non-polymer        35  21 .
JTH      JTH '2,7-dihydroxy-4-(propan-2-yl)cyclohe' non-polymer        25  13 .
JTP      JTP 'N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[' non-polymer        62  33 .
JTZ      JTZ '(2S)-1-[(1-methylethyl)amino]-3-(2-p' non-polymer        41  18 .
JU2      JU2 '2-amino-6-bromo-4-oxo-4,7-dihydro-3H' non-polymer        18  14 .
JUG      JUG '5-hydroxynaphthalene-1,4-dione      ' non-polymer        19  13 .
JW5      JW5 '.                                   ' non-polymer        36  23 .
JY       JY  '3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CY' non-polymer        68  30 .
JZ0      JZ0 'o-cresol                            ' non-polymer        16   8 .
JZ1      JZ1 '2-ethylphenol                       ' non-polymer        19   9 .
JZ2      JZ2 '5-chloro-2-methylphenol             ' non-polymer        16   9 .
JZ3      JZ3 '2-methoxyphenol                     ' non-polymer        17   9 .
JZ4      JZ4 '2-propylphenol                      ' non-polymer        22  10 .
JZ5      JZ5 '(NZ)-N-(thiophen-2-ylmethylidene)hyd' non-polymer        13   8 .
JZ6      JZ6 '4-chloro-1H-pyrazole                ' non-polymer         9   6 .
JZ7      JZ7 '(2S)-2-ethoxy-3,4-dihydro-2H-pyran  ' non-polymer        21   9 .
JZ8      JZ8 '5-methyl-7-(naphthalen-2-ylamino)-1H' non-polymer        36  21 .
JZ9      JZ9 '4,5,6,7-tetrahydro-1H-indole        ' non-polymer        20   9 .
JZA      JZA '4-[(1,1-dioxido-1,2-thiazetidin-2-yl' non-polymer        26  14 .
JZB      JZB '"(5E,9E,11E)-13-chloro-14,16-dihydro' non-polymer        62  33 .
JZC      JZC '"(5E,9E,11E)-14,16-dihydroxy-3,4,7,8' non-polymer        62  32 .
JZD      JZD '.                                   ' non-polymer        85  49 .
JZE      JZE '.                                   ' non-polymer        73  45 .
JZF      JZF '"ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-di' non-polymer        55  26 .
JZG      JZG '"3-{1-[3-(biphenyl-4-ylamino)-3-oxop' non-polymer        68  42 .
JZH      JZH '(3S)-3-(4-hydroxyphenyl)-1,5-dihydro' non-polymer        41  26 .
JZI      JZI '(2R,4E)-2-[(naphthalen-2-ylcarbonyl)' non-polymer        44  26 .
JZJ      JZJ '(3S)-3-[4-(4-bromophenyl)-1H-imidazo' non-polymer        38  22 .
JZK      JZK '2-[(2-chlorobenzyl)amino]-1-(cyclohe' non-polymer        53  28 .
JZL      JZL '7-amino-2-[(2-chlorobenzyl)amino]-1-' non-polymer        59  31 .
JZN      JZN '1-{[3-(4-{[(2R)-4-(5-fluoro-2-methox' non-polymer        84  47 .
JZO      JZO '4-[3-(methoxymethyl)phenyl]-1,2-dime' non-polymer        47  27 .
JZP      JZP '(4R)-3-[(2S,3S)-3-{[(2,6-dichlorophe' non-polymer        80  45 .
JZQ      JZQ '(4R)-3-[(2S,3S)-3-{[(2,6-difluorophe' non-polymer        80  45 .
JZR      JZR 'hexyl beta-D-glucopyranoside        ' non-polymer        42  18 .
JZS      JZS 'N-[(1R)-2-amino-1-methyl-2-oxoethyl]' non-polymer        57  36 .
JZT      JZT '.                                   ' non-polymer       116  52 .
JZU      JZU '5'-deoxy-5'-(sulfamoylamino)adenosin' non-polymer        38  23 .
JZV      JZV '"methyl (2E)-(methoxyimino)(2-{[({(1' non-polymer        48  29 .
JZW      JZW '[3-(6-{[4-(methylsulfonyl)piperazin-' non-polymer        63  34 .
JZX      JZX '5-(6-{[4-(methylsulfonyl)piperazin-1' non-polymer        60  33 .
JZY      JZY '4-methyl-5-(6-{[4-(methylsulfonyl)pi' non-polymer        62  34 .
JZZ      JZZ '4-[7-(3,3-dimethylbut-1-yn-1-yl)naph' non-polymer        46  25 .
K01      K01 'N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AM' non-polymer        46  24 .
K02      K02 '(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPH' non-polymer        49  25 .
K03      K03 'N,N-DIETHYL-5,5-DIMETHYL-2-[(2-THIEN' non-polymer        52  26 .
K05      K05 '(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPH' non-polymer        41  25 .
K10      K10 '1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-' non-polymer        46  23 .
K11      K11 'N-[4-({3-[2-(methylamino)pyrimidin-4' non-polymer        59  39 .
K17      K17 '4,5,6,7-TETRABROMO-BENZIMIDAZOLE    ' non-polymer        15  13 .
K1R      K1R '"(2S)-2-AMINO-4-[({[(2R)-2-AMINO-2-C' non-polymer        30  17 .
K21      K21 '4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIO' non-polymer        62  30 .
K22      K22 '4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZO' non-polymer        16  14 .
K23      K23 '"6-chloro-3-[1-(4-chlorobenzyl)-4-ph' non-polymer        48  32 .
K25      K25 '4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-B' non-polymer        23  16 .
K26      K26 'N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(' non-polymer        71  37 .
K27      K27 '"4-carbamoyl-1-(3-{4-[(E)-(hydroxyim' non-polymer        39  21 .
K2B      K2B '(8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE   ' non-polymer        72  28 .
K2C      K2C '6,7,12,13-tetrahydro-5H-indolo[2,3-a' non-polymer        37  24 .
K2N      K2N '"ethyl [(2S)-5-amino-2-methyl-3-phen' non-polymer        43  24 .
K2Z      K2Z '"benzyl [(1S)-1-{[(1S,2S)-1-ethyl-2-' non-polymer        82  37 .
K30      K30 '(2S)-4-(2,5-difluorophenyl)-N-[(3R,4' non-polymer        61  33 .
K32      K32 '4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZO' non-polymer        16  14 .
K37      K37 '4,5,6,7-TETRABROMO-2-(METHYLSULFANYL' non-polymer        19  15 .
K44      K44 '5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHY' non-polymer        24  17 .
K51      K51 '4-(6-{[(1S)-1-(HYDROXYMETHYL)-2-METH' non-polymer        43  24 .
K53      K53 '(5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-' non-polymer        79  44 .
K54      K54 '(5S)-N-{(1S,2R)-3-[(1,3-benzothiazol' non-polymer        80  47 .
K55      K55 '"(2S)-2-{4-butoxy-3-[({[2-fluoro-4-(' non-polymer        59  33 .
K57      K57 '(4R)-N-tert-butyl-3-{(2S,3S)-2-hydro' non-polymer        74  37 .
K5E      K5E '(4S,5R)-5-hydroxy-4-(3-hydroxyphenyl' non-polymer        35  19 .
K60      K60 '5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5' non-polymer        81  47 .
K62      K62 '(5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3' non-polymer        83  46 .
K64      K64 '"3-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-' non-polymer        78  41 .
K66      K66 '[4,5,6,7-tetrabromo-2-(dimethylamino' non-polymer        28  20 .
K68      K68 '(4,5,6,7-tetrabromo-1H-benzimidazol-' non-polymer        20  17 .
K6X      K6X '3,4,5,6,7-pentabromo-1H-indazole    ' non-polymer        15  14 .
K74      K74 'N-methyl-2-[(4,5,6,7-tetrabromo-1-me' non-polymer        29  20 .
K7I      K7I 'L-alanyl-N-[(1S,2R)-1-benzyl-2-hydro' non-polymer        47  22 .
K7J      K7J 'N-(3-carboxypropanoyl)-L-alanyl-L-al' non-polymer        71  36 .
K84      K84 '(9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiaz' non-polymer        67  30 .
K88      K88 '"(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-' non-polymer        47  26 .
K8X      K8X '4,5,6,7-tetraiodo-1H-benzimidazole  ' non-polymer        15  13 .
KA5      KA5 '5-chloro-N~6~-(2,5-dimethoxybenzyl)q' non-polymer        43  25 .
KAA      KAA '5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSI' non-polymer        58  32 .
KAB      KAB 'KABIRAMIDE C                        ' non-polymer       142  67 .
KAF      KAF 'N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(p' non-polymer        65  36 .
KAG      KAG '.                                   ' RNA                46  28 .
KAH      KAH '5-AMINO-4-HYDROXYHEXANOIC ACID      ' non-polymer        22  10 .
KAI      KAI '3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLI' non-polymer        28  15 .
KAM      KAM '"N-[7-KETO-8-AMINOPELARGONIC ACID]-[' non-polymer        52  28 .
KAN      KAN 'KANAMYCIN A                         ' non-polymer        69  33 .
KAP      KAP '7-KETO-8-AMINOPELARGONIC ACID       ' non-polymer        29  13 .
KAR      KAR '.                                   ' non-polymer       115  59 .
KAW      KAW 'N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(p' non-polymer        69  39 .
KB2      KB2 '(3S)-3-(4-{(1S)-1,2-dimethyl-1-[(qui' non-polymer        63  30 .
KBE      KBE 'beta-lysine                         ' non-polymer        23  10 .
KBG      KBG '2-KETO-BETA-D-GLUCOSE               ' non-polymer        22  12 .
KBT      KBT '3-{[3-butyl-5-(1-methylethyl)-2,6-di' non-polymer        49  26 .
K        K   'POTASSIUM ION                       ' non-polymer         1   1 .
KCP      KCP '"2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLA' non-polymer        37  23 .
KCQ      KCQ '(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRR' non-polymer        26  12 .
KCS      KCS 'carbonotrithioic acid               ' non-polymer         6   4 .
KCX      KCX 'LYSINE NZ-CARBOXYLIC ACID           ' peptide            26  13 .
KD0      KD0 '3-deoxy-8-O-phosphono-D-manno-oct-2-' non-polymer        32  20 .
KDA      KDA '(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID' non-polymer        36  19 .
KDB      KDB '3,4,5-trideoxy-alpha-D-erythro-oct-3' non-polymer        25  14 .
KDD      KDD '2,6-anhydro-3,5-dideoxy-D-ribo-oct-2' non-polymer        25  14 .
KDE      KDE 'prop-2-en-1-yl 3-deoxy-beta-L-gulo-o' non-polymer        36  19 .
KDF      KDF '3-deoxy-alpha-D-erythro-hex-2-ulofur' non-polymer        21  12 .
KDG      KDG '2-KETO-3-DEOXYGLUCONATE             ' non-polymer        21  12 .
KDH      KDH '"(2R,3R)-5,7-dihydroxy-2-(3,4,5-trih' non-polymer        51  33 .
KDN      KDN '3-deoxy-D-glycero-beta-D-galacto-non' non-polymer        33  18 .
KDO      KDO '3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID ' non-polymer        29  16 .
KDP      KDP '2-KETO-DEOXY-GALACTOSE              ' non-polymer        24  16 .
KDR      KDR 'prop-2-en-1-yl 3-deoxy-alpha-D-manno' non-polymer        36  18 .
KE4      KE4 '"(4R)-5-AMINO-4-[({3-HYDROXY-2-METHY' non-polymer        43  24 .
KEF      KEF 'CEFUROXIME (OCT-3-ENE FORM)         ' non-polymer        44  29 .
KEG      KEG '12-TUNGSTOPHOSPHATE                 ' non-polymer        53  53 .
KEK      KEK '(3E,5R)-8-(2-CHLOROPHENYL)-5-METHYL-' non-polymer        34  20 .
KEL      KEL 'N-[(2R)-2-benzyl-4-(hydroxyamino)-4-' non-polymer        38  21 .
KEM      KEM '"(3E,5R)-8-[(1S,3AR,4R,7AS)-1-HYDROX' non-polymer        50  25 .
KEN      KEN 'N,N-dimethylmethanamine             ' non-polymer        13   4 .
KET      KET '"2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOO' non-polymer        36  24 .
KEU      KEU '"N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMIN' non-polymer        66  38 .
KGC      KGC 'N~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDRO' non-polymer        35  19 .
KGQ      KGQ '"DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6' non-polymer        98  49 .
KGY      KGY '4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULF' non-polymer        62  35 .
KH1      KH1 '5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLO' non-polymer        81  33 .
KHA      KHA '1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONY' non-polymer        45  20 .
KHO      KHO '4-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TET' non-polymer        37  19 .
KHP      KHP '2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-' non-polymer        32  19 .
KI2      KI2 '3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4' non-polymer        42  24 .
KIA      KIA '2,6-dimethoxycyclohexa-2,5-diene-1,4' non-polymer        20  12 .
KIB      KIB '2,6-dimethoxybenzene-1,4-diol       ' non-polymer        22  12 .
KIF      KIF 'KIFUNENSINE                         ' non-polymer        28  16 .
KIM      KIM 'N~4~-methyl-N~4~-(3-methyl-1H-indazo' non-polymer        55  31 .
KIN      KIN '1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(' non-polymer        41  27 .
KIQ      KIQ '(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-' non-polymer        48  31 .
KIR      KIR 'KIRROMYCIN                          ' non-polymer       117  57 .
KIV      KIV '3-METHYL-2-OXOBUTANOIC ACID         ' non-polymer        15   8 .
KJ2      KJ2 '4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-P' non-polymer        43  25 .
KJZ      KJZ '"[(2E)-1-{4-[(2-chlorophenyl)amino]-' non-polymer        50  31 .
KKK      KKK '1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichl' non-polymer        64  36 .
KLN      KLN '1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHL' non-polymer        64  36 .
KLS      KLS '1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UR' non-polymer        26  14 .
KLT      KLT '2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-' non-polymer        33  22 .
KMB      KMB '2-AMINO-6-AMINOMETHYL-8-PHENYLSULFAN' non-polymer        38  22 .
KME      KME '"(1E)-prop-1-en-1-yl 3-deoxy-7-O-met' non-polymer        39  20 .
KMP      KMP '3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)' non-polymer        31  21 .
KMT      KMT '4-(METHYLSULFANYL)-2-OXOBUTANOIC ACI' non-polymer        16   9 .
KN0      KN0 '4-[1-benzyl-7-(trifluoromethyl)-1H-i' non-polymer        43  28 .
KN1      KN1 '4-[1-allyl-7-(trifluoromethyl)-1H-in' non-polymer        37  24 .
KN2      KN2 '4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE' non-polymer        28  18 .
KN3      KN3 '4-[1-(3-methylbut-2-en-1-yl)-7-(trif' non-polymer        43  26 .
KNC      KNC 'KANAMYCIN C                         ' non-polymer        69  33 .
KNI      KNI '(4R)-N-tert-butyl-3-[(2S,3S)-2-hydro' non-polymer        87  46 .
KNJ      KNJ '(4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dim' non-polymer        80  40 .
KO1      KO1 'D-glycero-alpha-D-talo-oct-2-ulopyra' non-polymer        30  17 .
KO2      KO2 'prop-2-en-1-yl D-glycero-alpha-D-tal' non-polymer        37  20 .
KOJ      KOJ '5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN' non-polymer        16  10 .
KOM      KOM '7,8-dihydroxy-4-phenyl-2H-chromen-2-' non-polymer        29  19 .
KOR      KOR 'L-HOMOCYSTEINE-S-N-S-L-CYSTEINE     ' peptide            30  17 .
KOS      KOS '17-DESMETHOXY-17-N,N-DIMETHYLAMINOET' non-polymer        92  44 .
KOT      KOT '1-beta-D-glucopyranosyl-4-phenyl-1H-' non-polymer        39  22 .
KPA      KPA '2-OXO-5-PHOSPHONOPENTANOIC ACID     ' non-polymer        20  12 .
KPC      KPC '(2-[2-KETOPROPYLTHIO]ETHANESULFONATE' non-polymer        21  11 .
KPH      KPH '[(1R)-1,5-diaminopentyl]phosphonic a' non-polymer        26  11 .
KPI      KPI '(2S)-2-amino-6-[(1-hydroxy-1-oxo-pro' peptide            29  15 .
KPL      KPL 'KETOPANTOATE                        ' non-polymer        19  10 .
KPV      KPV '5-PHENYL-2-KETO-VALERIC ACID        ' non-polymer        25  14 .
KQ7      KQ7 'N-(2-methyl-5-{[(2-morpholin-4-ylpyr' non-polymer        77  40 .
KR1      KR1 '3-({3-[(2-amino-6-fluoropyridin-4-yl' non-polymer        51  31 .
KR2      KR2 '(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)' non-polymer        54  30 .
KRA      KRA 'KURASOIN A                          ' non-polymer        33  19 .
KRB      KRB 'KURASOIN B                          ' non-polymer        36  21 .
KR       KR  'KRYPTON                             ' non-polymer         1   1 .
KRI      KRI '(S)-2-AMINO-4-[(2S,3R)-2,3,5-TRIHYDR' non-polymer        33  17 .
KRP      KRP '3-methyl-5-{[5-(1-methylethyl)-2,6-d' non-polymer        46  25 .
KRV      KRV '3-{[3-ethyl-5-(1-methylethyl)-2,6-di' non-polymer        43  24 .
KS1      KS1 '1-cyclopentyl-3-(1H-pyrrolo[2,3-b]py' non-polymer        41  24 .
KS4      KS4 '1-cyclobutyl-3-(3,4-dimethoxyphenyl)' non-polymer        43  24 .
KS5      KS5 '1-(1-methylethyl)-3-quinolin-6-yl-1H' non-polymer        39  23 .
KSA      KSA 'K-252A                              ' non-polymer        56  35 .
KSE      KSE '7-[(2-amino-2-methylpropyl)amino]-2-' non-polymer        57  30 .
KSF      KSF 'N-(2-chlorophenyl)-5-phenylimidazo[1' non-polymer        36  23 .
KSG      KSG '"(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTA' non-polymer        50  26 .
KSH      KSH '2-[(3,5-dimethoxyphenyl)amino]-5-eth' non-polymer        60  32 .
KSK      KSK '7-[(2-amino-2-methylpropyl)amino]-5-' non-polymer        61  32 .
KSL      KSL 'N-(2,6-dimethylphenyl)-5-phenylimida' non-polymer        42  24 .
KSM      KSM 'N-(2-chloro-6-methylphenyl)-8-[(3S)-' non-polymer        52  29 .
KSR      KSR '6-(5-methoxy-1-methyl-1H-indol-3-yl)' non-polymer        35  21 .
KSS      KSS '7-(3,4-dimethoxyphenyl)-5-(ethylsulf' non-polymer        39  22 .
KST      KST 'N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE ' peptide            32  18 .
KT3      KT3 '"N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYD' non-polymer        92  56 .
KT5      KT5 '"N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYD' non-polymer       122  74 .
KTA      KTA '(S)-CYCLOHEXANONE-2-ACETATE         ' non-polymer        22  11 .
KTH      KTH '2-KETOTHIAZOLE                      ' non-polymer        10   7 .
KTL      KTL '"(1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)' non-polymer        51  26 .
KTN      KTN 'CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROP' non-polymer        64  36 .
KTP      KTP '(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL' non-polymer        44  27 .
KU8      KU8 '4-[3-(1,4-diazepan-1-ylcarbonyl)-4-f' non-polymer        49  28 .
KVY      KVY '4-amino-1-methyl-N-{1-methyl-5-[(1-m' non-polymer        62  34 .
KWT      KWT '"(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETH' non-polymer        55  31 .
KWZ      KWZ '4-(3-piperidin-1-ylpropyl)-6-[3-(tri' non-polymer        48  27 .
KX1      KX1 '4-cycloheptyl-6-(3-piperidin-1-ylpro' non-polymer        54  24 .
KXN      KXN '(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-' non-polymer        35  21 .
KXO      KXO '6-(3-fluorophenyl)-N-[1-(2,2,2-trifl' non-polymer        46  27 .
KY1      KY1 '4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID' non-polymer        24  14 .
KYN      KYN '(2S)-2-amino-4-(2-aminophenyl)-4-oxo' peptide            26  15 .
KYQ      KYQ '(E)-N~6~-(1-carboxy-2-hydroxyethylid' peptide            30  16 .
KYS      KYS 'N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}' non-polymer        68  37 .
KYT      KYT '(3AS,4S,6AR)-4-(5-((3R,4R)-3,4-DIAMI' non-polymer        73  34 .
KZ9      KZ9 '(S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2' non-polymer        33  19 .
KZI      KZI '5-{[(1R,2S)-2-aminocyclohexyl]amino}' non-polymer        54  28 .
KZL      KZL '5-[(2-amino-1,1-dimethylethyl)amino]' non-polymer        53  29 .
KZM      KZM '5-{[(1R,2S)-2-aminocyclohexyl]amino}' non-polymer        68  38 .
L00      L00 '(2R)-2-(5-{3-chloro-6-((2-methoxyeth' non-polymer        73  38 .
L01      L01 '3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(' non-polymer        80  39 .
L02      L02 '4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-Y' non-polymer        34  18 .
L03      L03 '3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H' non-polymer        22  14 .
L04      L04 '.                                   ' non-polymer        99  52 .
L05      L05 '1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-' non-polymer        49  29 .
L06      L06 '5-{[AMINO(IMINO)METHYL]AMINO}-2-(SUL' non-polymer        27  13 .
L08      L08 '1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)TH' non-polymer        60  34 .
L09      L09 '"N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'' non-polymer        50  28 .
L0C      L0C '4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]' non-polymer        53  31 .
L0D      L0D '2-(1H-pyrazol-3-yl)-1H-benzimidazole' non-polymer        22  14 .
L0E      L0E '4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H' non-polymer        55  31 .
L0F      L0F 'N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZ' non-polymer        36  23 .
L0G      L0G '2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1' non-polymer        53  28 .
L0H      L0H 'N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZ' non-polymer        36  23 .
L0I      L0I '4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMIN' non-polymer        52  28 .
L10      L10 '"N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-D' non-polymer        47  26 .
L11      L11 'N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL' non-polymer        56  31 .
L12      L12 '3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE   ' non-polymer        31  17 .
L13      L13 '4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYD' non-polymer        24  14 .
L15      L15 '2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENY' non-polymer        30  15 .
L17      L17 'L17                                 ' non-polymer        53  33 .
L18      L18 '(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-' non-polymer        48  19 .
L1A      L1A 'N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLA' non-polymer        98  48 .
L1B      L1B '7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL' non-polymer        49  25 .
L1C      L1C '"(2R,4S)-N^1^-(4-chlorophenyl)-4-(2,' non-polymer        62  40 .
L1D      L1D '(2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[' non-polymer        63  39 .
L1E      L1E 'N~1~-(4-chlorophenyl)-6-methyl-N~5~-' non-polymer        54  35 .
L1G      L1G 'N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZI' non-polymer        83  44 .
L1O      L1O '4-(2-aminoethoxy)-3,5-dichlorobenzoi' non-polymer        23  15 .
L1P      L1P '3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCER' non-polymer       137  50 .
L1R      L1R '4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-' non-polymer        45  25 .
L20      L20 '(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METH' non-polymer        53  30 .
L21      L21 '3-(3-methylbut-2-en-1-yl)-3H-purin-6' non-polymer        28  15 .
L22      L22 '4-(2-amino-1,3-thiazol-4-yl)pyrimidi' non-polymer        20  13 .
L23      L23 '4-[1-(2,6-dichlorobenzyl)-2-methyl-1' non-polymer        35  22 .
L24      L24 '"[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYD' non-polymer        55  32 .
L27      L27 '"{1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OX' non-polymer        81  44 .
L2A      L2A '"(2S,5S,8S,11S,15E,20S)-20-amino-2-(' non-polymer        92  43 .
L2C      L2C '(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL' non-polymer        75  29 .
L2G      L2G 'N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-' non-polymer        85  46 .
L2P      L2P '2,3-DI-PHYTANYL-GLYCEROL            ' non-polymer       134  46 .
L2S      L2S '1-{[(4-methylphenyl)sulfanyl]acetyl}' non-polymer        36  17 .
L31      L31 '3-[(1R)-2-acetyl-6-methyl-2,3,4,9-te' non-polymer        44  24 .
L34      L34 '"4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5' non-polymer        53  34 .
L35      L35 '"2-[4-({[(3,5-DICHLOROPHENYL)AMINO]C' non-polymer        40  25 .
L37      L37 '.                                   ' non-polymer        48  31 .
L3A      L3A '"(2R)-3-[(R)-[(1R)-1-amino-3-methylb' non-polymer        34  15 .
L3G      L3G 'N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PY' non-polymer        79  43 .
L3O      L3O '(2S,3S)-3-amino-2-hydroxy-5-methylhe' non-polymer        25  11 .
L3P      L3P '2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHO' non-polymer       152  59 .
L41      L41 '{4-[3-(4-acetyl-3-hydroxy-2-propylph' non-polymer        54  29 .
L42      L42 '2-(acetylamino)-2-deoxy-3-O-(4-deoxy' non-polymer        50  30 .
L47      L47 '3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-' non-polymer        37  22 .
L4C      L4C '(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARB' non-polymer        31  20 .
L4G      L4G '6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-' non-polymer        68  37 .
L4P      L4P '3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHY' non-polymer       149  55 .
L51      L51 '1-{3-[(6-aminoquinolin-4-yl)amino]ph' non-polymer        69  38 .
L5G      L5G '7-methoxy-4-[(6-phenyl[1,2,4]triazol' non-polymer        46  29 .
L64      L64 '1-(4-{4-morpholin-4-yl-1-[1-(pyridin' non-polymer        77  45 .
L6S      L6S '6-O-sulfo-alpha-L-galactose         ' pyranose           28  16 .
L75      L75 'N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-P' non-polymer        96  48 .
L79      L79 '"(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5' non-polymer        57  28 .
L81      L81 '1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-' non-polymer        43  23 .
L86      L86 '(11S)-11-BENZYL-6-CHLORO-1,2,10,11,1' non-polymer        69  36 .
L8I      L8I '"2'-(2-fluorophenyl)-1-methyl-6',8',' non-polymer        50  29 .
L8V      L8V '2-({4-[(2-aminopyridin-4-yl)oxy]-3-f' non-polymer        49  33 .
L92      L92 '"(2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3' non-polymer        56  31 .
L98      L98 '(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO' non-polymer        28  16 .
L9G      L9G '3-{6-[2-(2,4-difluorophenyl)ethyl][1' non-polymer        47  29 .
L9Q      L9Q '"(1S)-2-{[(S)-(2-aminoethoxy)(hydrox' non-polymer       130  51 .
L9R      L9R '"(2S)-3-(octadecanoyloxy)-2-[(9Z)-oc' non-polymer       140  54 .
L9X      L9X 'L-gamma-glutamyl-S-[(3R)-1-ethyl-2,5' non-polymer        51  29 .
LA1      LA1 '(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUIN' non-polymer        76  40 .
LA2      LA2 'N~6~-[(6R)-6,8-disulfanyloctanoyl]-L' peptide            48  21 .
LA3      LA3 '(2R)-2-[4-(1,3-benzodioxol-5-yl)benz' non-polymer        61  35 .
LAA      LAA '(3R)-3-hydroxy-L-alpha-asparagine   ' non-polymer        17  10 .
LAB      LAB 'LATRUNCULIN B                       ' non-polymer        56  27 .
LAC      LAC 'LACTIC ACID                         ' non-polymer        11   6 .
LA       LA  'LANTHANUM (III) ION                 ' non-polymer         1   1 .
LAD      LAD 'ADENOSINE-5'-[LYSYL-PHOSPHATE]      ' non-polymer        57  32 .
LAE      LAE '3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDR' non-polymer        36  17 .
LAF      LAF '5-FLUOROLEVULINIC ACID              ' non-polymer        15   9 .
LAG      LAG '"MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R' non-polymer        67  35 .
LAK      LAK 'BETA-D-GALACTOPYRANOSYL-1-6-BETA-D-G' saccharide         45  23 .
LAL      LAL 'N,N-DIMETHYL-L-ALANINE              ' non-polymer        18   8 .
LAM      LAM '"4'-NITROPHENYL-S-(BETA-D-GLUCOPYRAN' non-polymer        78  43 .
LAN      LAN 'LANOSTEROL                          ' non-polymer        81  31 .
LAP      LAP '[2-((1-OXODODECANOXY-(2-HYDROXY-3-PR' non-polymer        71  29 .
LAQ      LAQ '"5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3' non-polymer        59  34 .
LAR      LAR 'LATRUNCULIN A                       ' non-polymer        60  29 .
LAS      LAS 'N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-' non-polymer        48  25 .
LAT      LAT 'BETA-LACTOSE                        ' saccharide         45  23 .
LAX      LAX 'EICOSA-8,11,14-TRIENOIC ACID        ' non-polymer        55  22 .
LAZ      LAZ 'N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE  ' non-polymer        23  13 .
LB2      LB2 '3-O-beta-D-glucopyranosyl-beta-D-glu' non-polymer        45  23 .
LBP      LBP '(2S)-2-amino-4-(S-butyl-N-phosphonos' non-polymer        36  18 .
LBT      LBT 'ALPHA-LACTOSE                       ' saccharide         45  23 .
LBV      LBV '.                                   ' non-polymer        77  43 .
LBY      LBY 'N~6~-(TERT-BUTOXYCARBONYL)-L-LYSINE ' peptide            38  17 .
LC0      LC0 '3-({4-methoxy-5-[(4-methoxybenzyl)ox' non-polymer        57  33 .
LC1      LC1 '2-(1,3-thiazol-4-yl)-1H-benzimidazol' non-polymer        26  18 .
LC2      LC2 'N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19' non-polymer        66  33 .
LC4      LC4 '12-(1H-imidazol-1-yl)dodecanoic acid' non-polymer        44  19 .
LCA      LCA '"[(1R,3R,4R,7S)-7-HYDROXY-3-(ADENIN-' non-polymer        36  24 .
LCC      LCC '"[(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHY' non-polymer        37  23 .
LCE      LCE '"(1S,3S,4S,5S)-7,7-dichloro-3-methox' non-polymer        22  15 .
LCF      LCF '"[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-' non-polymer        48  27 .
LCG      LCG '"[(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-' DNA                37  25 .
LCK      LCK '(Z)-N~6~-(2-carboxy-1-methylethylide' peptide            32  16 .
LCO      LCO 'CHLORATE ION                        ' non-polymer         4   4 .
LCP      LCP 'PERCHLORATE ION                     ' non-polymer         5   5 .
LCS      LCS 'L-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer        36  22 .
LCY      LCY '1-methylpyrrolidine-2,5-dione       ' non-polymer        15   8 .
LDA      LDA 'LAURYL DIMETHYLAMINE-N-OXIDE        ' non-polymer        47  16 .
LDC      LDC '4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PE' non-polymer        29  16 .
LDH      LDH 'N~6~-ETHYL-L-LYSINE                 ' peptide            29  12 .
LDM      LDM '3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMI' non-polymer        57  21 .
LDN      LDN '4-[6-(4-piperazin-1-ylphenyl)pyrazol' non-polymer        53  31 .
LDO      LDO '6-HYDROXY-L-NORLEUCINE              ' non-polymer        22  10 .
LDP      LDP 'L-DOPAMINE                          ' non-polymer        22  11 .
LDT      LDT 'IDD594                              ' non-polymer        35  24 .
LDY      LDY 'alpha-D-lyxopyranose                ' pyranose           20  10 .
LE1      LE1 '3-sulfanyl-L-valine                 ' peptide            19   9 .
LEA      LEA 'LEVULINIC ACID                      ' non-polymer        16   7 .
LEC      LEC 'N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-' non-polymer        42  24 .
LED      LED '(4R)-5-OXO-L-LEUCINE                ' peptide            20  10 .
LEF      LEF '(4S)-5-FLUORO-L-LEUCINE             ' peptide            21  10 .
LEG      LEG '1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE    ' non-polymer        36  16 .
LEH      LEH 'N-[12-(1H-imidazol-1-yl)dodecanoyl]-' non-polymer        63  27 .
LEI      LEI '3-sulfanyl-D-valine                 ' peptide            19   9 .
LEM      LEM '(3S)-3-amino-5-methylhexan-2-one    ' non-polymer        24   9 .
LEN      LEN '3-METHYLBUTAN-1-AMINE               ' non-polymer        19   6 .
LEO      LEO 'D-LIMONENE 1,2-EPOXIDE              ' non-polymer        27  11 .
LEP      LEP 'N~2~-phosphono-L-leucinamide        ' non-polymer        28  13 .
LET      LET '(Z)-N^6-{3-CARBOXY-1-[(4-CARBOXY-2-O' peptide            49  26 .
LEU      LEU 'LEUCINE                             ' peptide            19   8 .
LEW      LEW '1-beta-D-glucopyranosyl-4-naphthalen' non-polymer        45  26 .
LFA      LFA 'EICOSANE                            ' non-polymer        62  20 .
LFC      LFC '6-DEOXY-L-GALACTONIC ACID           ' non-polymer        23  12 .
LFN      LFN 'LUMIFLAVIN                          ' non-polymer        31  19 .
LFR      LFR 'BETA-L-FRUCTO-FURANOSE              ' non-polymer        24  12 .
LFX      LFX '"(3S)-9-fluoro-3-methyl-10-(4-methyl' non-polymer        45  26 .
LG0      LG0 '1-(4-methoxyphenyl)-6-(4-(1-(pyrroli' non-polymer        66  37 .
LG1      LG1 '3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QU' non-polymer        43  26 .
LG2      LG2 '"6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8' non-polymer        55  27 .
LG3      LG3 'PYRIMIDINE-2,4-DIAMINE              ' non-polymer        14   8 .
LG4      LG4 '5-METHYLPYRIDIN-2-AMINE             ' non-polymer        16   8 .
LG5      LG5 '1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE ' non-polymer        18   8 .
LG6      LG6 'L-GULURONIC ACID 6-PHOSPHATE        ' non-polymer        27  17 .
LG7      LG7 '4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRA' non-polymer        36  23 .
LG8      LG8 '3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TET' non-polymer        62  34 .
LG9      LG9 '(1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXY' non-polymer        32  15 .
LGA      LGA 'PYRIMIDIN-2-AMINE                   ' non-polymer        12   7 .
LGB      LGB '2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydrox' non-polymer        37  24 .
LGC      LGC '(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HY' pyranose           22  12 .
LGD      LGD '6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4' non-polymer        35  26 .
LGF      LGF '1-[(3AR)-5-{[3-(2,4-DIFLUOROPHENYL)-' non-polymer        64  40 .
LGG      LGG 'N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLAL' non-polymer       101  52 .
LGJ      LGJ '"N-(3-FLUORO-2'-(METHYLSULFONYL)BIPH' non-polymer        59  41 .
LGK      LGK '"6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL' non-polymer        63  42 .
LGL      LGL '"1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TR' non-polymer        72  44 .
LGM      LGM '"3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H' non-polymer        72  41 .
LGP      LGP 'N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANIN' DNA                34  22 .
LGS      LGS '"(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)' non-polymer        50  22 .
LGT      LGT 'L-GLUCARIC ACID                     ' non-polymer        22  14 .
LGU      LGU 'ALPHA-L-GULURONATE                  ' pyranose           22  13 .
LGV      LGV 'N-({4-[(3-cyclopropyl-1H-pyrazol-5-y' non-polymer        46  29 .
LGW      LGW 'N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-' non-polymer        53  32 .
LGX      LGX 'N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-' non-polymer        53  32 .
LGZ      LGZ '"CARBAMIC ACID 1-{5-BENZYL-5-[2-HYDR' non-polymer        85  46 .
LHA      LHA 'DOUBLY FUNCTIONALIZED PAROMOMYCIN PM' non-polymer       125  60 .
LHC      LHC '(2S)-2-amino-4-(4-amino-2-oxopyrimid' peptide            26  15 .
LHG      LHG '1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCERO' non-polymer       123  49 .
LHJ      LHJ 'N-cyclopropyl-3-[1-(2,4-difluorophen' non-polymer        52  32 .
LHY      LHY 'L-[(N-HYDROXYAMINO)CARBONYL]PHENYLAL' non-polymer        27  16 .
LI0      LI0 '4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)' non-polymer        88  48 .
LI1      LI1 '1-[2,6,10.14-TETRAMETHYL-HEXADECAN-1' non-polymer       131  45 .
LI2      LI2 '3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PY' non-polymer        58  33 .
LI3      LI3 '3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN' non-polymer        43  25 .
LI4      LI4 '3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE' non-polymer        33  19 .
LI5      LI5 '2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN P' non-polymer        27  14 .
LI6      LI6 '3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)' non-polymer        23  14 .
LI7      LI7 '(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-I' non-polymer        28  18 .
LI8      LI8 'N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-1-' non-polymer        66  35 .
LI9      LI9 '4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(' non-polymer        64  35 .
LIA      LIA '(4-AMINO-2-{[1-(METHYLSULFONYL)PIPER' non-polymer        51  30 .
LIB      LIB '3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYD' non-polymer        58  32 .
LIC      LIC '3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYD' non-polymer        61  33 .
LI       LI  'LITHIUM ION                         ' non-polymer         1   1 .
LID      LID '8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLU' non-polymer        43  28 .
LIE      LIE '2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROP' non-polymer        45  29 .
LIF      LIF '"N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FU' non-polymer        58  39 .
LIG      LIG '3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,' non-polymer        29  18 .
LIH      LIH '6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAM' non-polymer        42  25 .
LII      LII '(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-' non-polymer        44  25 .
LIJ      LIJ '"BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2' non-polymer        96  47 .
LIK      LIK '3,6-BIS(METHYLENE)DECANOIC ACID     ' non-polymer        33  14 .
LIL      LIL '2-TRIDECANOYLOXY-PENTADECANOIC ACID ' non-polymer        85  32 .
LIM      LIM '3-OXO-PENTADECANOIC ACID            ' non-polymer        45  18 .
LIO      LIO '[1-PENTADECANOYL-2-DECANOYL-GLYCEROL' non-polymer       109  43 .
LIP      LIP 'L-MYO-INOSITOL-1-PHOSPHATE          ' non-polymer        27  16 .
LIQ      LIQ 'N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROB' non-polymer        87  45 .
LIR      LIR '2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-' non-polymer        48  27 .
LIS      LIS '(2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC A' non-polymer        17   9 .
LIT      LIT '{[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZO' non-polymer        22  18 .
LIU      LIU 'N-[(4-{[1,1-dimethyl-2-(phenylthio)e' non-polymer        77  41 .
LIV      LIV '.                                   ' non-polymer       107  52 .
LIW      LIW '4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-' non-polymer        93  52 .
LIX      LIX 'N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHO' non-polymer        82  44 .
LIY      LIY '6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-' non-polymer        62  31 .
LIZ      LIZ 'N-{(1S,2S)-2-[bis(carboxymethyl)amin' non-polymer        89  49 .
LJ1      LJ1 '2,6-dimethyl-4-[(E)-2-phenylethenyl]' non-polymer        33  17 .
LJ2      LJ2 '2,6-dibromo-4-[(E)-2-phenylethenyl]p' non-polymer        27  17 .
LJ3      LJ3 '3,5-dibromobiphenyl-4-ol            ' non-polymer        23  15 .
LJ4      LJ4 '2,6-dibromo-4-phenoxyphenol         ' non-polymer        24  16 .
LJ5      LJ5 'N-(3,5-dibromo-4-hydroxyphenyl)benza' non-polymer        27  18 .
LJE      LJE 'N-{3-methyl-4-[(3-pyrimidin-4-ylpyri' non-polymer        50  33 .
LJF      LJF 'N-[4-({3-[5-fluoro-2-(methylideneami' non-polymer        59  38 .
LJG      LJG 'N,N'-(iminodiethane-2,1-diyl)bis[4-a' non-polymer        74  35 .
LJH      LJH 'N,N'-(iminodiethane-2,1-diyl)bis(4-a' non-polymer        76  41 .
LJZ      LJZ '"4,4'-{cyclohexa-2,5-diene-1,4-diyli' non-polymer        64  40 .
LK1      LK1 'N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL' non-polymer        49  28 .
LK2      LK2 'N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL' non-polymer        49  28 .
LK3      LK3 'N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SUL' non-polymer        52  29 .
LK4      LK4 'N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN' non-polymer        51  33 .
LK5      LK5 '"(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORM' non-polymer        48  22 .
LK7      LK7 '"(1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-' non-polymer        37  19 .
LKA      LKA '5-THIO-A/B-D-MANNOPYRANOSYLAMINE    ' non-polymer        25  12 .
LKC      LKC '"4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-' non-polymer        34  19 .
LKG      LKG '4-[(6-phenyl[1,2,4]triazolo[4,3-b]py' non-polymer        37  23 .
LKM      LKM 'N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]N' non-polymer        51  34 .
LKS      LKS 'N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEX' non-polymer        41  21 .
LL1      LL1 '3-pyridin-4-yl-1H-indazole          ' non-polymer        24  15 .
LL2      LL2 '5-benzyl-1,3-thiazol-2-amine        ' non-polymer        23  13 .
LLB      LLB '[6-hydroxy-2-(4-hydroxyphenyl)-1-ben' non-polymer        64  35 .
LLC      LLC '[6-hydroxy-2-(4-hydroxyphenyl)-1-ben' non-polymer        58  33 .
LLF      LLF '"(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]M' non-polymer        31  20 .
LLG      LLG '2-aminoethyl naphthalen-1-ylacetate ' non-polymer        32  17 .
LLH      LLH '(2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDRO' non-polymer        21  13 .
LLL      LLL '(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,' non-polymer        70  31 .
LLP      LLP '2-LYSINE(3-HYDROXY-2-METHYL-5-PHOSPH' peptide            46  25 .
LLT      LLT 'L-deoxythymidine                    ' non-polymer        31  17 .
LLX      LLX 'N-(4-aminobiphenyl-3-yl)benzamide   ' non-polymer        38  22 .
LLY      LLY 'NZ-(DICARBOXYMETHYL)LYSINE          ' peptide            30  17 .
LM2      LM2 '.                                   ' non-polymer        70  36 .
LMC      LMC '(2E,4E,6E)-3-methyl-6-(1,3,3-trimeth' non-polymer        41  20 .
LME      LME '(2S,3R)-2-azanyl-3-methyl-pentanedio' peptide            20  11 .
LMG      LMG '1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYC' non-polymer       141  55 .
LML      LML 'ISOBUTYL MALONIC ACID               ' non-polymer        21  11 .
LMQ      LMQ '(3S)-3-methyl-L-glutamine           ' peptide            22  11 .
LMR      LMR '(2S)-2-hydroxybutanedioic acid      ' non-polymer        13   9 .
LMS      LMS '"[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-' non-polymer        37  23 .
LMT      LMT 'DODECYL-BETA-D-MALTOSIDE            ' non-polymer        81  35 .
LMU      LMU 'DODECYL-ALPHA-D-MALTOSIDE           ' non-polymer        81  35 .
LMZ      LMZ '5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)' non-polymer        34  20 .
LN1      LN1 '(3R)-4-{[(3,4-dihydroxyphenyl)acetyl' non-polymer        55  34 .
LN5      LN5 'N5-(1-iminopropyl)-L-ornithine      ' non-polymer        29  13 .
LN6      LN6 'N~5~-[(1E)-pentanimidoyl]-L-ornithin' non-polymer        35  15 .
LN7      LN7 'N~5~-[(1S)-1-aminopentyl]-L-ornithin' non-polymer        37  15 .
LNA      LNA '(9E,12Z)-10-nitrooctadeca-9,12-dieno' non-polymer        53  23 .
LNB      LNB '(9Z,12E)-12-nitrooctadeca-9,12-dieno' non-polymer        53  23 .
LNC      LNC '(3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) N' non-polymer        82  51 .
LNG      LNG 'Delta-3isotetradecenoic acid        ' non-polymer        41  16 .
LNK      LNK 'PENTANE                             ' non-polymer        17   5 .
LNL      LNL 'ALPHA-LINOLENIC ACID                ' non-polymer        49  20 .
LNO      LNO 'L-LEUCYL-HYDROXYLAMINE              ' non-polymer        24  10 .
LNQ      LNQ '3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-E' non-polymer        45  21 .
LNR      LNR 'L-NOREPINEPHRINE                    ' non-polymer        23  12 .
LNT      LNT 'N-[(2S)-2-amino-1,1-dihydroxy-4-meth' non-polymer        38  17 .
LO1      LO1 '[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-AC' non-polymer        23  14 .
LO2      LO2 '2-{4-[butyl(3-chloro-4,5-dimethoxybe' non-polymer        57  33 .
LO3      LO3 '.                                   ' non-polymer       124  54 .
LOB      LOB 'LOBELINE                            ' non-polymer        52  25 .
LOC      LOC 'N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-' non-polymer        54  29 .
LOI      LOI '2-(methylamino)-N-(4-methyl-1,3-thia' non-polymer        40  24 .
LOL      LOL 'LEUCINOL                            ' non-polymer        24   9 .
LOM      LOM 'THIAZOLE                            ' non-polymer         8   5 .
LOP      LOP '"(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROX' non-polymer       112  45 .
LOR      LOR 'LORACABEF                           ' non-polymer        39  24 .
LOS      LOS '.                                   ' non-polymer        71  30 .
LOV      LOV '5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METH' non-polymer        40  16 .
LOX      LOX '3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-OXI' non-polymer        21  11 .
LP1      LP1 '"4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-Y' non-polymer       116  58 .
LP3      LP3 '"(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-' non-polymer        89  35 .
LP4      LP4 '"(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL' non-polymer       111  47 .
LP5      LP5 '"(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(' non-polymer       112  48 .
LP6      LP6 '6-piperidin-1-yl-L-norleucine       ' peptide            36  15 .
LP7      LP7 'ethyl 1,4-dihydroxy-2-oxo-1,2-dihydr' non-polymer        30  18 .
LP8      LP8 '3-cyclopentyl-1,4-dihydroxy-1,8-naph' non-polymer        32  18 .
LP9      LP9 '3-[4-(diethylamino)phenoxy]-6-(ethox' non-polymer        53  30 .
LPA      LPA 'LIPOIC ACID                         ' non-polymer        25  12 .
LPC      LPC '[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONY' non-polymer        77  31 .
LPD      LPD 'L-PROLINAMIDE                       ' non-polymer        18   8 .
LPE      LPE '1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCH' non-polymer        90  34 .
LPF      LPF '"1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEU' non-polymer        49  26 .
LPG      LPG 'L-PROPARGYLGLYCINE                  ' peptide            11   7 .
LPL      LPL 'LEU-HYDROXYETHYLENE-LEU             ' non-polymer        43  17 .
LPM      LPM '6,8-DIMERCAPTO-OCTANOIC ACID AMIDE  ' non-polymer        29  12 .
LPO      LPO '(3S,4R)-N-[2-chloro-5-(2-methoxyethy' non-polymer        82  44 .
LPP      LPP '2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY' non-polymer       111  44 .
LPQ      LPQ '(3R,4S)-N-{2-chloro-5-[(cyclopropyla' non-polymer        83  44 .
LPR      LPR '[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L' non-polymer        58  29 .
LPS      LPS '"O-{HYDROXY[((2R)-2-HYDROXY-3-{[(1S)' non-polymer        74  32 .
LPT      LPT 'CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINU' non-polymer        25   9 .
LPX      LPX '"(2S)-3-{[(R)-(2-aminoethoxy)(hydrox' non-polymer        73  30 .
LQQ      LQQ '6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(' non-polymer        62  33 .
LQZ      LQZ '2-(diethylamino)-N-(2,6-dimethylphen' non-polymer        39  17 .
LRB      LRB '.                                   ' non-polymer       116  59 .
LRG      LRG '(2S)-2-(biphenyl-4-yloxy)-3-phenylpr' non-polymer        41  24 .
LRH      LRH '6-DEOXY-BETA-L-FRUCTOFURANOSE       ' non-polymer        23  11 .
LRU      LRU '.                                   ' non-polymer        71  30 .
LS1      LS1 'N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-I' non-polymer        38  23 .
LS2      LS2 'N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H' non-polymer        42  27 .
LS3      LS3 '3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZO' non-polymer        43  28 .
LS4      LS4 '4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YL' non-polymer        41  27 .
LS5      LS5 '3-{[4-([AMINO(IMINO)METHYL]AMINOSULF' non-polymer        40  25 .
LSA      LSA '1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIO' non-polymer        17  12 .
LSG      LSG '5-acetyl-2-[(2-fluoro-4-iodophenyl)a' non-polymer        42  25 .
LSO      LSO '"(Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-' peptide            51  28 .
LSP      LSP '(7S)-4,7-DIHYDROXY-10-OXO-3,5,9-TRIO' non-polymer        32  16 .
LSR      LSR '1,3,3-trimethyl-2-[(1E,3E)-3-methylp' non-polymer        39  15 .
LSW      LSW 'N~2~-[(1S)-1-carboxy-3-phenylpropyl]' non-polymer        68  36 .
LT1      LT1 '(3-chloropropyl)benzene             ' non-polymer        21  10 .
LT2      LT2 '(3S)-3-hydroxy-2,3-dihydro-1H-indole' non-polymer        19  12 .
LT3      LT3 '(1S,4R,9S)-5-(trifluoromethyl)-1,2,3' non-polymer        28  16 .
LT4      LT4 '4-[(1R)-2-amino-1-hydroxyethyl]benze' non-polymer        23  12 .
LT5      LT5 '(1R)-2-amino-1-[3-(trifluoromethyl)p' non-polymer        24  14 .
LT6      LT6 '2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]' non-polymer        59  30 .
LTA      LTA '4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ' non-polymer        37  15 .
LTC      LTC '"(2S)-1-({3-O-[2-(acetylamino)-4-ami' non-polymer       124  54 .
LTL      LTL '6-HYDROXY-6-METHYL-HEPTAN-3-ONE     ' non-polymer        26  10 .
LTN      LTN 'L-TRYPTOPHANAMIDE                   ' non-polymer        28  15 .
LTT      LTT '4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)' non-polymer        26  15 .
LU       LU  'LUTETIUM (III) ION                  ' non-polymer         1   1 .
LUG      LUG 'N-(5-{3,4-difluoro-2-[(2-fluoro-4-io' non-polymer        39  26 .
LUM      LUM 'LUMICHROME                          ' non-polymer        28  18 .
LUT      LUT '(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDR' non-polymer        98  42 .
LUX      LUX '"(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-' non-polymer       114  42 .
LUZ      LUZ 'pteridine-2,4(1H,3H)-dione          ' non-polymer        16  12 .
LVA      LVA '"(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DI' non-polymer        67  30 .
LVG      LVG 'L-VINYLGLYCINE                      ' peptide            13   7 .
LVN      LVN '(3S)-4-oxo-L-valine                 ' peptide            17   9 .
LVS      LVS '4-IODO-3-NITROPHENYL ACETYL-LEUCINYL' non-polymer        85  42 .
LW4      LW4 '3-(1H-indol-3-yl)-4-[2-(4-methylpipe' non-polymer        55  33 .
LWG      LWG '6,9-dichloro[1]benzothieno[3,2-d]pyr' non-polymer        20  16 .
LWY      LWY '1-[(R)-hydroxy(methyl)phosphoryl]-L-' non-polymer        23  12 .
LX0      LX0 '4-(4-amino-6-{[(1R)-1-naphthalen-2-y' non-polymer        55  32 .
LX1      LX1 'L-XYLULOSE 5-PHOSPHATE              ' non-polymer        24  13 .
LX2      LX2 '"[4-(3-{[2-chloro-3-(trifluoromethyl' non-polymer        75  44 .
LX9      LX9 '6-{3-amino-1-[3-(1H-indol-6-yl)pheny' non-polymer        53  32 .
LXB      LXB '2-(acetylamino)-2-deoxy-beta-D-gulop' pyranose           30  15 .
LXC      LXC 'BETA-L-XYLOPYRANOSE                 ' non-polymer        20  10 .
LXG      LXG '8-[(E)-2-cyclopropylethenyl]-2-[(dim' non-polymer        42  23 .
LXN      LXN 'ALLOXAN                             ' non-polymer        12  10 .
LXP      LXP 'L-XYLITOL 5-PHOSPHATE               ' non-polymer        25  14 .
LXX      LXX '6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4' non-polymer        38  25 .
LXZ      LXZ '2-(acetylamino)-2-deoxy-alpha-D-idop' pyranose           30  15 .
LY0      LY0 '(2R)-3-[(R)-[(1R)-1-aminoethyl](hydr' non-polymer        25  12 .
LY1      LY1 '8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-B' non-polymer        24  13 .
LY2      LY2 '2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN' non-polymer        40  23 .
LY3      LY3 '"2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-' non-polymer        53  33 .
LY4      LY4 '(9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,1' non-polymer        63  35 .
LY5      LY5 '"(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-' non-polymer        46  24 .
LY7      LY7 'N-[(2S)-2-(4'-cyanobiphenyl-4-yl)pro' non-polymer        46  24 .
LYA      LYA '"2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-' non-polymer        50  31 .
LYB      LYB '"2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7' non-polymer        95  58 .
LYC      LYC 'LYCOPENE                            ' non-polymer        96  40 .
LYD      LYD '"2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-' non-polymer        51  29 .
LYG      LYG '8-chloro-2-{[(3S)-3-hydroxypyrrolidi' non-polymer        36  22 .
LYL      LYL '2-ALLYL-6-METHYL-PHENOL             ' non-polymer        23  11 .
LYM      LYM 'DEOXY-METHYL-LYSINE                 ' non-polymer        26  10 .
LYN      LYN '2,6-DIAMINO-HEXANOIC ACID AMIDE     ' non-polymer        26  10 .
LYP      LYP 'N~6~-METHYL-N~6~-PROPYL-L-LYSINE    ' non-polymer        35  14 .
LYR      LYR '"N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-' peptide            71  30 .
LYS      LYS 'LYSINE                              ' peptide            22   9 .
LYT      LYT 'BUTYLAMINE                          ' non-polymer        16   5 .
LYW      LYW '1-AMINO-1-CARBONYL PENTANE          ' non-polymer        21   8 .
LYX      LYX '.                                   ' peptide           109  62 .
LYZ      LYZ '5-HYDROXYLYSINE                     ' peptide            24  11 .
LZ0      LZ0 '[1-(2-oxoethyl)-1H-1,2,3-triazol-5-y' non-polymer        37  20 .
LZ1      LZ1 '1H-indazole                         ' non-polymer        15   9 .
LZ2      LZ2 '5-hydroxynaphthalene-1-sulfonamide  ' non-polymer        24  15 .
LZ3      LZ3 'N-(4-sulfamoylphenyl)-1H-indazole-3-' non-polymer        34  22 .
LZ4      LZ4 '4-[(6-chloropyrazin-2-yl)amino]benze' non-polymer        27  18 .
LZ5      LZ5 'N-phenyl-1H-pyrazole-3-carboxamide  ' non-polymer        23  14 .
LZ6      LZ6 'L-gamma-glutamyl-S-(2-{[4-(3-carboxy' non-polymer        70  38 .
LZ7      LZ7 '4-(acetylamino)-N-(4-fluorophenyl)-1' non-polymer        30  19 .
LZ8      LZ8 'N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONY' non-polymer        37  24 .
LZ9      LZ9 '{[(2,6-difluorophenyl)carbonyl]amino' non-polymer        37  26 .
LZA      LZA '{[(2,6-difluorophenyl)carbonyl]amino' non-polymer        42  25 .
LZB      LZB '5-chloro-7-[(1-methylethyl)amino]pyr' non-polymer        26  16 .
LZC      LZC '5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROP' non-polymer        46  23 .
LZD      LZD '4-{[(2,6-difluorophenyl)carbonyl]ami' non-polymer        42  25 .
LZE      LZE '4-{[(2,6-dichlorophenyl)carbonyl]ami' non-polymer        42  25 .
LZF      LZF '5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-' non-polymer        56  34 .
LZG      LZG '"5-CHLORO-THIOPHENE-2-CARBOXYLIC ACI' non-polymer        52  33 .
LZH      LZH '"5-CHLORO-THIOPHENE-2-CARBOXYLIC ACI' non-polymer        56  34 .
LZI      LZI '(4R)-4-{[(5-chlorothiophen-2-yl)carb' non-polymer        66  39 .
LZJ      LZJ '6-(2,6-dibromophenyl)pyrido[2,3-d]py' non-polymer        29  20 .
LZK      LZK '6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]' non-polymer        37  22 .
LZL      LZL '7-(2,5-dihydropyrrol-1-yl)-6-phenyl-' non-polymer        37  22 .
LZM      LZM 'PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONIT' non-polymer        15  11 .
LZP      LZP '4,4'-piperazine-1,4-diylbis{1-[3-(be' non-polymer        82  48 .
LZQ      LZQ '4-[3-(dibenzylamino)phenyl]-2,4-diox' non-polymer        49  29 .
LZR      LZR '6-(CYCLOPROP-2-EN-1-YLMETHOXY)-2-[6-' non-polymer        59  33 .
LZS      LZS 'N-{6-(CYCLOPROPYLMETHOXY)-7-METHOXY-' non-polymer        73  41 .
M01      M01 '1-[1-(9H-purin-6-yl)piperidin-4-yl]m' non-polymer        33  17 .
M02      M02 '1-(9H-purin-6-yl)piperidin-4-amine  ' non-polymer        30  16 .
M03      M03 '1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[' non-polymer        44  24 .
M04      M04 '1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[' non-polymer        47  25 .
M05      M05 '4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3' non-polymer        45  24 .
M07      M07 '(5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-' non-polymer        42  23 .
M08      M08 '(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-' non-polymer        38  21 .
M09      M09 '(3S,5R,7R,8S,9S,10R)-7-(hydroxymethy' non-polymer        42  24 .
M0E      M0E 'MOENOMYCIN                          ' non-polymer       213 109 .
M0H      M0H 'S-(HYDROXYMETHYL)-L-CYSTEINE        ' peptide            17   9 .
M0N      M0N '(1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3' non-polymer        32  20 .
M11      M11 'N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-2-' non-polymer        49  25 .
M12      M12 '10-METHYLUNDECANOIC ACID            ' non-polymer        37  14 .
M13      M13 'METHYL 3-O-ALPHA-D-MANNOPYRANOSYL-BE' non-polymer        48  24 .
M14      M14 '2-[3-chloro-5-(3-chloro-5-cyanopheno' non-polymer        47  33 .
M18      M18 '"{(2S)-1-[N-(tert-butoxycarbonyl)gly' non-polymer        55  28 .
M1A      M1A '6-AMINO-1-METHYLPURINE              ' non-polymer        19  11 .
M1B      M1B '2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-4' non-polymer        45  27 .
M1C      M1C '(3S)-3-AMINO-1-(CYCLOPROPYLAMINO)HEP' non-polymer        36  14 .
M1G      M1G '3-(2-DEOXY-BETA-D-RIBOFURANOSYL)-PYR' DNA                38  26 .
M1L      M1L '"2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIH' non-polymer        65  36 .
M1N      M1N '"(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YL' non-polymer        64  32 .
M1P      M1P 'ALPHA-D-MANNOSE 1-PHOSPHATE         ' non-polymer        27  16 .
M1S      M1S '(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8' non-polymer        45  24 .
M1T      M1T '6,6-dihydroxy-1-methoxyhexan-2-one  ' non-polymer        25  11 .
M21      M21 '(10E,12Z)-tetradeca-10,12-dien-1-ol ' non-polymer        41  15 .
M22      M22 '3-chloro-5-[2-chloro-5-(1H-indazol-3' non-polymer        41  28 .
M24      M24 '"5'-O-[(R)-[({3-[5-(2-fluorophenyl)-' non-polymer        63  43 .
M25      M25 'N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}' non-polymer        30  16 .
M28      M28 '3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC' non-polymer        25  15 .
M29      M29 'ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PRO' non-polymer        32  17 .
M2C      M2C '(2S)-2-AMINO-4-(METHYLSULFANYL)-1-PY' non-polymer        31  15 .
M2F      M2F '2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-B' non-polymer        37  24 .
M2G      M2G 'N2-DIMETHYLGUANOSINE-5'-MONOPHOSPHAT' RNA                42  26 .
M2L      M2L '(2R)-2-amino-3-(2-dimethylaminoethyl' peptide            27  12 .
M2M      M2M '1-METHOXY-2-(2-METHOXYETHOXY)ETHANE ' non-polymer        23   9 .
M2P      M2P 'D-MANNITOL-1,6-DIPHOSPHATE          ' non-polymer        32  20 .
M2S      M2S '3-{[(R)-methylsulfinyl]methyl}-L-val' peptide            26  12 .
M2T      M2T '5'-deoxy-5'-(dimethyl-lambda~4~-sulf' non-polymer        40  21 .
M33      M33 '5'-O-[(S)-hydroxy{[(S)-hydroxy(methy' non-polymer        43  27 .
M35      M35 '"1-[3-(aminomethyl)phenyl]-N-[3-fluo' non-polymer        57  37 .
M37      M37 '"1-[2-(aminomethyl)phenyl]-N-(3-fluo' non-polymer        56  37 .
M38      M38 '4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUI' non-polymer        39  25 .
M3C      M3C '(2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1' non-polymer        28  14 .
M3F      M3F '1-methyl-3-(trifluoromethyl)benzo[c]' non-polymer        29  20 .
M3L      M3L 'N-TRIMETHYLLYSINE                   ' peptide            33  13 .
M3M      M3M '3-O-alpha-D-mannopyranosyl-alpha-D-m' saccharide         45  23 .
M3P      M3P '(2E,4E)-2-hydroxy-6-oxohepta-2,4-die' non-polymer        18  11 .
M3R      M3R 'Methyl phosphonated L-Arginine      ' non-polymer        32  16 .
M3S      M3S '2-(acetyloxy)-3-methylbenzoic acid  ' non-polymer        23  14 .
M44      M44 '.                                   ' non-polymer        28  11 .
M4O      M4O '.                                   ' non-polymer       165  87 .
M4S      M4S '4-methoxybenzenesulfonamide         ' non-polymer        21  12 .
M54      M54 '6-(3-aminopropyl)-4-(3-hydroxyphenyl' non-polymer        53  31 .
M5G      M5G '.                                   ' non-polymer       162  84 .
M5M      M5M '2'-(N-ACETAMIDE)-CYTIDINE-5'-MONOPHO' RNA                39  24 .
M5P      M5P '(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTA' non-polymer        30  15 .
M5S      M5S 'alpha-D-mannopyranosyl-(1->3)-[alpha' non-polymer       108  56 .
M66      M66 '.                                   ' non-polymer       110  52 .
M6D      M6D '6-O-phosphono-beta-D-mannopyranose  ' non-polymer        27  16 .
M6P      M6P 'ALPHA-D-MANNOSE-6-PHOSPHATE         ' pyranose           27  16 .
M6R      M6R '5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-MANN' non-polymer        30  16 .
M6T      M6T '.                                   ' non-polymer        45  27 .
M77      M77 '5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOL' non-polymer        37  20 .
M7G      M7G '7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOS' non-polymer        45  29 .
M7P      M7P 'D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHAT' non-polymer        31  18 .
M80      M80 '3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHE' non-polymer        58  33 .
M84      M84 '3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}P' non-polymer        34  20 .
M8C      M8C 'METHYL ALPHA-D-GALACTOPYRANURONATE  ' pyranose           26  14 .
M8E      M8E '5'-{[4-(aminooxy)butyl](methyl)amino' non-polymer        55  28 .
M8M      M8M '5'-{[2-(aminooxy)ethyl](methyl)amino' non-polymer        48  25 .
M98      M98 '"(S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOR' non-polymer        56  38 .
M99      M99 '"(R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOR' non-polymer        56  38 .
MA0      MA0 '(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-PROP' non-polymer        31  15 .
MA1      MA1 '1,4-dithio-alpha-D-glucopyranose    ' pyranose           24  12 .
MA2      MA2 '4-S-methyl-4-thio-alpha-D-glucopyran' pyranose           27  13 .
MA3      MA3 'O1-METHYL-4-DEOXY-4-THIO-ALPHA-D-GLU' pyranose           27  13 .
MA4      MA4 'CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE   ' non-polymer        79  35 .
MA5      MA5 '2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO' non-polymer        67  31 .
MA6      MA6 '6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE' RNA                41  25 .
MA7      MA7 '1N-METHYLADENOSINE-5'-MONOPHOSPHATE ' DNA                38  23 .
MA8      MA8 '"(2S,3R,5S,6S)-2,3,4,5,6-PENTAHYDROX' non-polymer        57  29 .
MA9      MA9 '(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHEN' non-polymer        53  32 .
MAA      MAA 'N-methyl-L-alanine                  ' non-polymer        15   7 .
MAB      MAB 'MANNOBIOSE                          ' non-polymer        45  23 .
MAC      MAC 'MERCURY ACETATE ION                 ' non-polymer         8   5 .
MA       MA  'METHYL L-ALANINATE                  ' non-polymer        16   7 .
MAD      MAD '6-HYDRO-1-METHYLADENOSINE-5'-MONOPHO' non-polymer        38  24 .
MAE      MAE 'MALEIC ACID                         ' non-polymer        10   8 .
MAF      MAF '2-DEOXY-2-FLUORO-ALPHA-D-MANNOSE    ' non-polymer        23  12 .
MAG      MAG 'BETA-METHYL-N-ACETYL-D-GLUCOSAMINE  ' pyranose           33  16 .
MAH      MAH '3-HYDROXY-3-METHYL-GLUTARIC ACID    ' non-polymer        19  11 .
MAI      MAI 'DEOXO-METHYLARGININE                ' non-polymer        30  12 .
MAJ      MAJ 'indane-5-sulfonamide                ' non-polymer        24  13 .
MAK      MAK 'ALPHA-KETOMALONIC ACID              ' non-polymer         8   8 .
MAL      MAL 'MALTOSE                             ' saccharide         45  23 .
MAN      MAN 'ALPHA-D-MANNOSE                     ' pyranose           24  12 .
MAO      MAO '.                                   ' non-polymer        45  24 .
MAP      MAP 'MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPH' non-polymer        48  32 .
MAQ      MAQ '2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE' non-polymer        22  13 .
MAR      MAR '4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN ' non-polymer        86  47 .
MAS      MAS 'dimethylsulfamic acid               ' non-polymer        14   7 .
MAT      MAT '2,4-DIDEOXY-4-[2-(PROPYL)AMINO]-3-O-' pyranose           32  13 .
MAU      MAU 'N-METHYL KIRROMYCIN                 ' non-polymer       120  58 .
MAV      MAV 'alpha-D-mannopyranuronic acid       ' pyranose           22  13 .
MAW      MAW '4-deoxy-alpha-L-erythro-hex-4-enopyr' non-polymer        19  12 .
MAX      MAX 'MATAIRESINOL                        ' non-polymer        48  26 .
MAY      MAY 'METHYL ARACHIDONYL FLUOROPHOSPHONATE' non-polymer        61  25 .
MAZ      MAZ 'FORMIC ACID 3-AMINO-BENZYL ESTER    ' non-polymer        20  11 .
MB1      MB1 '2-chloro-5-nitrobenzenesulfonamide  ' non-polymer        19  14 .
MB3      MB3 '1-methylpyrrolidin-2-one            ' non-polymer        16   7 .
MB9      MB9 '"(4R)-7-chloro-9-methyl-1-oxo-1,2,4,' non-polymer        40  23 .
MBB      MBB '"2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)' non-polymer        66  35 .
MBC      MBC '2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-' non-polymer        42  26 .
MBD      MBD '3-METHYLCATECHOL                    ' non-polymer        17   9 .
MBF      MBF '2-DEOXY-2-FLUORO-BETA-D-MANNOSE     ' non-polymer        23  12 .
MBG      MBG 'METHYL-BETA-GALACTOSE               ' pyranose           27  13 .
MBH      MBH '(1R)-1-benzyl-1-(carboxymethyl)-1-me' non-polymer        28  14 .
MBM      MBM '"N-{N'-(2-methyl-1-benzofuran-5-yl)-' non-polymer        70  38 .
MBN      MBN 'TOLUENE                             ' non-polymer        15   7 .
MBO      MBO 'MERCURIBENZOIC ACID                 ' non-polymer        14  10 .
MBP      MBP '1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-Y' non-polymer        30  17 .
MBQ      MBQ '2-HYDROXY-5-({1-[(4-METHYLPHENOXY)ME' peptide            49  28 .
MBR      MBR 'TRIBROMOMETHANE                     ' non-polymer         5   4 .
MBS      MBS '.                                   ' non-polymer        48  28 .
MBT      MBT '3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5' non-polymer        40  20 .
MBV      MBV 'MESOBILIVERDIN IV ALPHA             ' non-polymer        79  43 .
MBZ      MBZ '1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-BE' DNA                37  22 .
MC1      MC1 'METHICILLIN ACYL-SERINE             ' peptide            58  33 .
MC2      MC2 'N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL' non-polymer        63  33 .
MC3      MC3 '1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPH' non-polymer       118  46 .
MC9      MC9 'CALCIPOTRIOL                        ' non-polymer        70  30 .
MCA      MCA 'METHYLMALONYL-COENZYME A            ' non-polymer        90  55 .
MC       MC  '1,2-CIS-1-HYDROXY-2,7-DIAMINO-MITOSE' non-polymer        39  23 .
MCD      MCD 'METHYLMALONYL(CARBADETHIA)-COENZYME ' non-polymer        92  55 .
MCF      MCF '(8R)-3-(5-S-methyl-5-thio-beta-D-rib' non-polymer        39  21 .
MCG      MCG '(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGL' peptide            24  15 .
MCH      MCH 'trichloromethane                    ' non-polymer         5   4 .
MCI      MCI '"(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLI' non-polymer        47  29 .
MCJ      MCJ 'N-[(2,3-dihydroxyphenyl)carbonyl]-O-' non-polymer        77  49 .
MCK      MCK 'N-[(2,3-dihydroxyphenyl)carbonyl]-O-' non-polymer        63  39 .
MCL      MCL 'NZ-(1-CARBOXYETHYL)-LYSINE          ' peptide            31  15 .
MCM      MCM '7-AMINO-4-METHYL-CHROMEN-2-ONE      ' non-polymer        22  13 .
MCN      MCN 'PTERIN CYTOSINE DINUCLEOTIDE        ' non-polymer        64  44 .
MCO      MCO '1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PY' non-polymer        28  14 .
MCP      MCP '2-CARBOXY-4-METHYLPIPERIDINE        ' non-polymer        22  10 .
MCR      MCR 'SULFANYLACETIC ACID                 ' non-polymer         8   5 .
MCS      MCS 'MALONYL CYSTEINE                    ' peptide            20  13 .
MCT      MCT '4-METHYLCATECHOL                    ' non-polymer        17   9 .
MCV      MCV '5-[2-(2,5-dimethoxyphenyl)ethyl]thie' non-polymer        41  23 .
MCW      MCW '2-methoxycyclohexa-2,5-diene-1,4-dio' non-polymer        16  10 .
MCY      MCY '5-METHYL-2'-DEOXYCYTIDINE           ' non-polymer        32  17 .
MD1      MD1 '"PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,' non-polymer        71  47 .
MD2      MD2 'N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-' non-polymer        34  14 .
MD7      MD7 '(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclo' non-polymer        39  23 .
MDA      MDA '2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOS' pyranose           25  11 .
MDC      MDC 'N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLA' non-polymer        49  28 .
MDD      MDD 'MALONALDEHYDE                       ' non-polymer         9   5 .
MDE      MDE '5-MERCAPTOETHANOL-2-DECENOYL-COENZYM' non-polymer       114  63 .
MDH      MDH 'N-METHYLDEHYDROBUTYRINE             ' non-polymer        16   8 .
MDJ      MDJ '4-amino-1-(2-deoxy-5-O-phosphono-bet' non-polymer        37  22 .
MDK      MDK '4-amino-1-(2-deoxy-5-O-phosphono-bet' non-polymer        36  21 .
MDL      MDL '[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL' non-polymer        69  40 .
MDM      MDM 'METHYL-O3-(ALPHA-D-MANNOSE)-ALPHA-D-' saccharide         48  24 .
MDN      MDN 'METHYLENEDIPHOSPHONIC ACID          ' non-polymer        15   9 .
MDO      MDO '{2-[(1S)-1-AMINOETHYL]-5-HYDROXY-4-M' non-polymer        26  14 .
MDP      MDP 'N-CARBOXY-N-METHYL-MURAMIC ACID     ' pyranose           39  21 .
MDQ      MDQ '.                                   ' non-polymer        36  22 .
MDR      MDR '9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-M' non-polymer        32  18 .
MDU      MDU '.                                   ' non-polymer        38  23 .
MDV      MDV '(7S,8S)-3-(2-deoxy-5-O-phosphono-bet' non-polymer        40  26 .
MDW      MDW '(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-M' non-polymer        48  28 .
MDX      MDX '11-MERCAPTOUNDECANOIC ACID          ' non-polymer        35  14 .
MDY      MDY '(2Z)-N-(3-chloro-2'-methoxybiphenyl-' non-polymer        39  24 .
MDZ      MDZ 'N~6~-METHYL-6-OXO-L-LYSINE - 2-[(3-M' non-polymer        49  25 .
ME0      ME0 'hydroxy-L-methionine                ' peptide            20  10 .
ME1      ME1 '5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)' non-polymer        43  27 .
ME2      ME2 '1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE  ' non-polymer        26  10 .
ME3      ME3 'RUTHENIUM-PYRIDOCARBAZOLE-3         ' non-polymer        54  36 .
ME4      ME4 '"3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYR' non-polymer        60  35 .
ME5      ME5 '"5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRI' non-polymer        50  30 .
ME6      ME6 '"[(2R,3S,5R)-5-(4-azanyl-3-methyl-2-' non-polymer        36  21 .
ME8      ME8 '"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-y' non-polymer        53  31 .
MEA      MEA 'N-METHYLPHENYLALANINE               ' non-polymer        25  13 .
MEB      MEB 'ONE HALF OF PARA-XYLENE             ' non-polymer        12   4 .
MEC      MEC 'ETHYL-CARBAMIC ACID METHYL ESTER    ' non-polymer        16   7 .
MED      MED 'D-METHIONINE                        ' peptide            19   9 .
MEE      MEE 'METHANETHIOL                        ' non-polymer         6   2 .
MEF      MEF '"N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,' non-polymer        54  33 .
MEG      MEG '(2S,3S)-2-azanyl-3-methyl-pentanedio' peptide            20  11 .
MEI      MEI '(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLD' non-polymer        46  19 .
MEK      MEK '3,4-difluoro-2-[(2-fluoro-4-iodophen' non-polymer        47  29 .
MEL      MEL '"[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)' non-polymer        61  31 .
MEN      MEN 'N-METHYL ASPARAGINE                 ' peptide            19  10 .
MEQ      MEQ 'N5-METHYLGLUTAMINE                  ' peptide            22  11 .
MER      MER '"(1R,5S,6S)-2-[(3S,5S)-5-DIMETHYLAMI' non-polymer        52  27 .
MES      MES '2-(N-MORPHOLINO)-ETHANESULFONIC ACID' non-polymer        25  12 .
MET      MET 'METHIONINE                          ' peptide            17   8 .
MEU      MEU 'O-METHYL-GLYCINE                    ' non-polymer        13   6 .
MEV      MEV '(R)-MEVALONATE                      ' non-polymer        21  10 .
MEZ      MEZ '(2E)-2-METHYLBUT-2-ENEDIOIC ACID    ' non-polymer        13   9 .
MF2      MF2 'CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBA' non-polymer        49  19 .
MF3      MF3 '2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BU' peptide            19  12 .
MF4      MF4 'TETRAFLUOROMAGNESATE(2-)            ' non-polymer         5   5 .
MFB      MFB 'BETA-L-METHYL-FUCOSE                ' pyranose           26  12 .
MFC      MFC '5-[1-(3-FLUORO-4-HYDROXY-PHENYL)-MET' non-polymer        39  24 .
MFD      MFD '(2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,' non-polymer        52  24 .
MFG      MFG '(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDEN' non-polymer        25  13 .
MFM      MFM '"(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2' non-polymer        36  25 .
MFN      MFN 'N-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMM' non-polymer        94  55 .
MFP      MFP '((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2' non-polymer        60  33 .
MFQ      MFQ '((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2' non-polymer        60  33 .
MFR      MFR '4-(4-methoxy-1H-pyrrolo[2,3-b]pyridi' non-polymer        29  18 .
MFS      MFS '(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-' non-polymer        84  47 .
MFT      MFT '.                                   ' non-polymer        37  22 .
MFU      MFU 'ALPHA-L-METHYL-FUCOSE               ' pyranose           26  12 .
MFX      MFX '"1-cyclopropyl-6-fluoro-8-methoxy-7-' non-polymer        52  29 .
MG1      MG1 '.                                   ' DNA                38  24 .
MG7      MG7 '7-METHYLGUANOSINE                   ' non-polymer        37  21 .
MG8      MG8 'N-OCTANOYL-N-METHYLGLUCAMINE        ' non-polymer        53  22 .
MGB      MGB 'METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) ' non-polymer        25  13 .
MGC      MGC 'ALPHA-METHYL-N-ACETYL-D-GALACTOSAMIN' non-polymer        33  16 .
MG       MG  'MAGNESIUM ION                       ' non-polymer         1   1 .
MGD      MGD '"2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7' non-polymer        71  47 .
MGE      MGE '(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-' non-polymer       120  48 .
MGF      MGF 'TRIFLUOROMAGNESATE                  ' non-polymer         4   4 .
MGG      MGG '2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDIN' non-polymer        33  18 .
MGI      MGI 'methyl 4-(2,3-dihydroxy-5-methylphen' non-polymer        38  22 .
MGL      MGL 'O1-METHYL-GLUCOSE                   ' pyranose           27  13 .
MGM      MGM '2-[METHYL-(5-GERANYL-4-METHYL-PENT-3' non-polymer        63  29 .
MGN      MGN '2-METHYL-GLUTAMINE                  ' peptide            22  11 .
MGO      MGO '"[[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL' non-polymer        49  33 .
MGP      MGP '7-METHYL-GUANOSINE-5'-TRIPHOSPHATE  ' non-polymer        48  33 .
MGQ      MGQ '7-BENZYL GUANINE MONOPHOSPHATE      ' non-polymer        50  31 .
MGR      MGR 'MALACHITE GREEN                     ' non-polymer        50  25 .
MGS      MGS '1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-BUTY' non-polymer        43  20 .
MGT      MGT '7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHO' non-polymer        49  33 .
MGU      MGU '2-O-[2-O-METHYL-4-[2,4-DIHYDROXY-BUT' non-polymer        77  37 .
MGV      MGV 'P-FLUORO-7-BENZYL GUANINE MONOPHOSPH' RNA                50  32 .
MGX      MGX '1-METHYLGUANIDINE                   ' non-polymer        12   5 .
MH2      MH2 'MANGANESE ION, 1 HYDROXYL COORDINATE' non-polymer         3   2 .
MH4      MH4 '1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-' non-polymer        72  39 .
MH6      MH6 '3-hydroxy-2-iminopropanoic acid     ' non-polymer        11   7 .
MHA      MHA '(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO' non-polymer        21  13 .
MHB      MHB '.                                   ' non-polymer        30  19 .
MHC      MHC '3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-C' non-polymer        34  18 .
MHE      MHE '5,5-dimethyl-2-oxohexanoic acid     ' non-polymer        24  11 .
MHF      MHF '5,10-METHENYL-6,7,8-TRIHYDROFOLIC AC' non-polymer        54  33 .
MHH      MHH 'methyl hydrogen (R)-hexylphosphonate' non-polymer        28  11 .
MHL      MHL 'N-METHYL-4-HYDROXY-LEUCINE          ' M-peptide          25  11 .
MHN      MHN '6-METHYLHEPTAN-1-OL                 ' non-polymer        27   9 .
MHO      MHO 'S-OXYMETHIONINE                     ' peptide            20  10 .
MHR      MHR '4-(4-propoxy-1H-pyrrolo[2,3-b]pyridi' non-polymer        35  20 .
MHS      MHS 'N1-METHYLATED HISTIDINE             ' peptide            22  12 .
MHT      MHT '(3R)-3-(METHYLSULFANYL)-1-AZABICYCLO' non-polymer        25  10 .
MHU      MHU '4-N,N-(DIMETHYLAMINO)-L-PHENYLALANIN' non-polymer        33  16 .
MHV      MHV '4-OXO-L-PIPECOLIC ACID              ' non-polymer        18  10 .
MHW      MHW '3-HYDROXYPICOLINIC ACID             ' non-polymer        14  10 .
MHZ      MHZ '5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METH' non-polymer        49  25 .
MI1      MI1 '3-{(3R,4R)-4-methyl-3-[methyl(7H-pyr' non-polymer        43  23 .
MI2      MI2 '2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBO' non-polymer        34  19 .
MI3      MI3 '.                                   ' non-polymer        59  41 .
MI4      MI4 '(1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-h' non-polymer        93  39 .
MI5      MI5 'N-(3-methylisothiazol-5-yl)-3-(1-met' non-polymer        50  28 .
MI6      MI6 '"(2'R,3R,4'R,5'R)-6-chloro-4'-(3-chl' non-polymer        74  39 .
MIA      MIA '2-METHYLTHIO-N6-ISOPENTENYL-ADENOSIN' RNA                54  30 .
MIB      MIB '(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3' non-polymer        28  15 .
MIC      MIC 'ALPHA-METHYLISOCITRIC ACID          ' non-polymer        21  14 .
MID      MID '1-[N-(naphthalen-2-ylsulfonyl)glycyl' non-polymer        68  37 .
MIG      MIG '(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(' non-polymer        31  14 .
MII      MII 'methicillin                         ' non-polymer        45  26 .
MIK      MIK 'METHYL ISONICOTINIMIDATE LYSINE     ' non-polymer        35  18 .
MIL      MIL 'MILRINONE                           ' non-polymer        25  16 .
MIM      MIM '[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-' non-polymer        95  43 .
MIN      MIN 'METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCI' non-polymer        62  28 .
MIR      MIR 'Monoethylphosphorylserine           ' peptide            23  13 .
MIS      MIS 'MONOISOPROPYLPHOSPHORYLSERINE       ' peptide            26  14 .
MIT      MIT '"amino{[(4S)-5-[(2R,4R)-2-carboxy-4-' non-polymer        71  35 .
MIU      MIU 'N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZ' non-polymer        66  34 .
MIX      MIX '1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXY' non-polymer        60  32 .
MIY      MIY '(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAM' non-polymer        60  33 .
MIZ      MIZ '1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-' non-polymer        34  16 .
MJA      MJA '"(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,' non-polymer        53  24 .
MJG      MJG 'N-[5-({5-[(4-acetylpiperazin-1-yl)ca' non-polymer        84  43 .
MJI      MJI '1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYC' non-polymer        75  32 .
MJZ      MJZ '.                                   ' non-polymer        63  40 .
MK1      MK1 '"N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2' non-polymer        92  45 .
MK2      MK2 'N~4~-[7-(1-benzofuran-2-yl)-1H-indaz' non-polymer        40  26 .
MK3      MK3 '6-{5-[(2-aminopyrimidin-4-yl)amino]-' non-polymer        43  28 .
MK8      MK8 '2-methyl-L-norleucine               ' non-polymer        24  10 .
MKC      MKC '6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL ' non-polymer        44  22 .
MKE      MKE '(4S)-4-AMINO-5-OXOHEXANOIC ACID     ' non-polymer        20  10 .
MKK      MKK '1-[(4R)-4-[3-(4-ACETYLPIPERAZIN-1-YL' non-polymer        67  34 .
MKR      MKR '1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-' non-polymer        66  35 .
ML0      ML0 '"4-{2-amino-6-[(1R)-2,2,2-trifluoro-' non-polymer        59  38 .
ML1      ML1 'N-[2-(5-methoxy-1H-indol-3-yl)ethyl]' non-polymer        33  17 .
ML2      ML2 'N-[2-(2-iodo-5-methoxy-1H-indol-3-yl' non-polymer        33  18 .
ML3      ML3 '2-{[(2R)-2-amino-2-carboxyethyl]sulf' peptide            31  13 .
ML4      ML4 '4-(5-{[(2'-methylbiphenyl-2-yl)methy' non-polymer        58  33 .
ML8      ML8 '8-cyclopentyl-6-[3-(hydroxymethyl)ph' non-polymer        51  27 .
ML9      ML9 '2-amino-8-[trans-4-(2-hydroxyethoxy)' non-polymer        58  31 .
MLA      MLA 'MALONIC ACID                        ' non-polymer         9   7 .
MLC      MLC 'MALONYL-COENZYME A                  ' non-polymer        87  54 .
MLD      MLD 'GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-' non-polymer       120  64 .
MLE      MLE 'N-METHYLLEUCINE                     ' M-peptide          24  10 .
MLG      MLG 'N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-' non-polymer        32  17 .
MLI      MLI 'MALONATE ION                        ' non-polymer         9   7 .
MLK      MLK 'METHYLLYCACONITINE                  ' non-polymer        99  49 .
MLL      MLL 'METHYL L-LEUCINATE                  ' non-polymer        25  10 .
MLM      MLM '3-AMINO-3-OXOPROPANOIC ACID         ' non-polymer        11   7 .
MLN      MLN '(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-' non-polymer        56  30 .
MLP      MLP '1-AMINOCYCLOPROPYLPHOSPHONATE       ' non-polymer        15   8 .
MLR      MLR 'MALTOTRIOSE                         ' non-polymer        66  34 .
MLT      MLT 'MALATE ION                          ' non-polymer        13   9 .
MLY      MLY 'N-DIMETHYL-LYSINE                   ' peptide            29  12 .
MLZ      MLZ 'N-METHYL-LYSINE                     ' peptide            26  11 .
MM0      MM0 'N,N'-(dibenzo[b,j][1,7]phenanthrolin' non-polymer        62  32 .
MM1      MM1 '1,4,8,11-TETRAAZA-CYCLOTETRADECANE C' non-polymer        39  15 .
MM2      MM2 '"1,1'-[1,4-PHENYLENEBIS(METHYLENE)]B' non-polymer        92  38 .
MM3      MM3 'N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFO' non-polymer        46  24 .
MM4      MM4 'MOLYBDENUM (IV) OXIDE               ' non-polymer         3   3 .
MM5      MM5 '1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BI' non-polymer        86  38 .
MM6      MM6 'NICKEL(II)(1,4,8,11-TETRAAZACYCLOTET' non-polymer        35  15 .
MMA      MMA 'O1-METHYL-MANNOSE                   ' pyranose           27  13 .
MMB      MMB '"(2R,3E)-2-{4-[(5-METHYL-2-PHENYL-1,' non-polymer        59  32 .
MMC      MMC 'METHYL MERCURY ION                  ' non-polymer         5   2 .
MME      MME 'N-METHYL METHIONINE                 ' non-polymer        22  10 .
MMG      MMG '4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin' non-polymer        37  24 .
MMH      MMH 'N-[3-(acetylamino)phenyl]-5-{(2E)-2-' non-polymer        52  30 .
MMI      MMI 'N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMIN' non-polymer       114  52 .
MMM      MMM '"(S,E)-3-HYDROXY-2-((3-HYDROXY-2-MET' non-polymer        37  23 .
MMN      MMN '5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMIN' non-polymer        34  15 .
MMO      MMO 'N~5~-(DIAMINOMETHYLENE)-N~2~-METHYLO' non-polymer        28  13 .
MMP      MMP 'N-METHYLMESOPORPHYRIN               ' non-polymer        81  43 .
MMQ      MMQ 'MERCAPTOMETHYL PHOSPHONATE          ' non-polymer         9   6 .
MMR      MMR 'N-((2R,3R,4S,6S)-6-(HYDROXYMETHYL)-2' non-polymer        40  19 .
MMT      MMT '5'-O-(DIMETHYLAMINO)-THYMIDINE      ' non-polymer        39  20 .
MMU      MMU '1,3-dimethylurea                    ' non-polymer        14   6 .
MMZ      MMZ '1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-' non-polymer        13   7 .
MN1      MN1 '4-CARBOXYPIPERIDINE                 ' non-polymer        19   9 .
MN2      MN2 '1-CARBOXYETHYLAMINOMETHYL-4-AMINOMET' non-polymer        31  15 .
MN3      MN3 'MANGANESE (III) ION                 ' non-polymer         1   1 .
MN7      MN7 '1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZE' non-polymer        31  15 .
MN8      MN8 '2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BE' non-polymer        38  21 .
MNA      MNA '2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURA' non-polymer        42  22 .
MNB      MNB '5-MERCAPTO-2-NITRO-BENZOIC ACID     ' non-polymer        17  13 .
MNC      MNC 'METHYL ISOCYANIDE                   ' non-polymer         6   3 .
MN       MN  'MANGANESE (II) ION                  ' non-polymer         1   1 .
MND      MND 'N-methyl-D-asparagine               ' peptide            19  10 .
MNG      MNG 'MENOGARIL                           ' non-polymer        70  39 .
MNH      MNH 'MANGANESE PROTOPORPHYRIN IX         ' non-polymer        73  43 .
MNI      MNI 'N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-5-(H' non-polymer        45  22 .
MNL      MNL '4,N-DIMETHYLNORLEUCINE              ' non-polymer        27  11 .
MNM      MNM '(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYD' non-polymer        24  11 .
MNN      MNN '(S)-MANDELIC ACID NITRILE           ' non-polymer        17  10 .
MNO      MNO '(3S)-N-METHANESULFONYL-3-({1-[N-(2-N' non-polymer        70  38 .
MNP      MNP '2-(3-NITROPHENYL)ACETIC ACID        ' non-polymer        19  13 .
MNQ      MNQ 'M-NITROPHENYL AMINOETHYLDIPHOSPHATE ' non-polymer        34  25 .
MNR      MNR 'PROTOPORPHYRIN IX CONTAINING MN     ' non-polymer        73  43 .
MNS      MNS '5-(DIMETHYLAMINO)-1-NAPHTHALENESULFO' non-polymer        31  17 .
MNT      MNT '2'(3')-O-N-METHYLANTHRANILOYL-ADENOS' non-polymer        55  36 .
MNU      MNU '"(2R,4S)-1-[(4R)-3,4-DIHYDROXYTETRAH' RNA                40  24 .
MNV      MNV 'N-METHYL-C-AMINO VALINE             ' non-polymer        23   9 .
MNX      MNX '1,8-DI-HYDROXY-4-NITRO-XANTHEN-9-ONE' non-polymer        27  20 .
MNY      MNY '5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUI' non-polymer        30  20 .
MO6      MO6 'MAGNESIUM ION, 6 WATERS COORDINATED ' non-polymer        13   7 .
MO7      MO7 'HEPTAMOLYBDATE                      ' non-polymer        31  31 .
MO8      MO8 '4-methyl-7,8-dihydro-5H-thiopyrano[4' non-polymer        23  12 .
MO9      MO9 '"(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-' non-polymer        52  31 .
MOA      MOA 'MYCOPHENOLIC ACID                   ' non-polymer        42  23 .
MOB      MOB '.                                   ' non-polymer        35  22 .
MOC      MOC '"CARBAMIC ACID 2,6-DIAMINO-5-METHYL-' non-polymer        38  22 .
MO       MO  'MOLYBDENUM ATOM                     ' non-polymer         1   1 .
MOD      MOD 'L-METHIONYL ADENYLATE               ' non-polymer        56  30 .
MOE      MOE 'METHOXY-ETHOXYL                     ' non-polymer        12   5 .
MOF      MOF 'MOMETASONE FUROATE                  ' non-polymer        65  35 .
MOG      MOG '5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PY' non-polymer        18  12 .
MOH      MOH 'METHANOL                            ' non-polymer         6   2 .
MOI      MOI '(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A' non-polymer        40  21 .
MOJ      MOJ '"(5E,7S)-2-amino-7-(4-fluoro-2-pyrid' non-polymer        45  27 .
MOM      MOM 'HYDROXY(DIOXO)MOLYBDENUM            ' non-polymer         5   4 .
MON      MON '4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]' non-polymer        62  33 .
MOO      MOO 'MOLYBDATE ION                       ' non-polymer         5   5 .
MOP      MOP '4-METHYLPENTANAL                    ' non-polymer        19   7 .
MOQ      MOQ 'MOTUPORIN                           ' non-polymer       116  55 .
MOR      MOR 'morpholine-4-carboxylic acid        ' non-polymer        18   9 .
MOS      MOS 'DIOXOTHIOMOLYBDENUM(VI) ION         ' non-polymer         5   4 .
MOT      MOT 'N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDI' non-polymer        52  32 .
MOU      MOU '.                                   ' non-polymer       101  49 .
MOW      MOW 'Oxo(sulfanyl)molybdenum(IV) ION     ' non-polymer         4   3 .
MOX      MOX '"7-METHOXY-3-METHYL-7-(3-METHYL-2-PH' non-polymer        45  29 .
MOY      MOY '[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETH' non-polymer        42  24 .
MP1      MP1 'N-METHYLMESOPORPHYRIN CONTAINING COP' non-polymer        81  44 .
MP2      MP2 'N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLG' non-polymer        36  21 .
MP5      MP5 '(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METH' non-polymer        22  14 .
MP8      MP8 '(4R)-4-methyl-L-proline             ' P-peptide          19   9 .
MP9      MP9 '2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-' non-polymer        37  24 .
MPA      MPA '(1R)-MENTHYL HEXYL PHOSPHONATE GROUP' non-polymer        53  20 .
MPB      MPB '4-HYDROXY-BENZOIC ACID METHYL ESTER ' non-polymer        19  11 .
MPC      MPC '(1S)-MENTHYL HEXYL PHOSPHONATE GROUP' non-polymer        53  20 .
MPD      MPD '(4S)-2-METHYL-2,4-PENTANEDIOL       ' non-polymer        22   8 .
MPE      MPE '(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIM' non-polymer        31  18 .
MPG      MPG '1-MONOOLEOYL-RAC-GLYCEROL           ' non-polymer        65  25 .
MPH      MPH '(1-AMINO-3-METHYLSULFANYL-PROPYL)-PH' non-polymer        22  10 .
MPI      MPI 'IMIDAZO[1,2-A]PYRIDINE              ' non-polymer        16   9 .
MPJ      MPJ '(1-AMINO-3-METHYLSULFANYL-PROPYL)-PH' non-polymer        21   9 .
MPL      MPL 'N-METHYL-PYRIDOXAL-5'-PHOSPHATE     ' non-polymer        28  17 .
MPM      MPM '"(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5' non-polymer        42  24 .
MPN      MPN '"PHOSPHORIC ACID MONO-(2-AMINO-4-OXO' non-polymer        34  24 .
MPO      MPO '3[N-MORPHOLINO]PROPANE SULFONIC ACID' non-polymer        28  13 .
MPP      MPP '3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACI' non-polymer        28  15 .
MPQ      MPQ 'N-METHYL-ALPHA-PHENYL-GLYCINE       ' non-polymer        22  12 .
MPR      MPR '2-MERCAPTO-PROPION ALDEHYDE         ' non-polymer        11   5 .
MPT      MPT 'BETA-MERCAPTOPROPIONIC ACID         ' non-polymer        11   6 .
MPU      MPU 'D-MONAPTERIN                        ' non-polymer        29  18 .
MPX      MPX '4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]C' non-polymer        40  21 .
MPY      MPY '(3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-' non-polymer        68  37 .
MPZ      MPZ '4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N' non-polymer        65  36 .
MQ0      MQ0 '(3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3-D' non-polymer        48  28 .
MQ1      MQ1 '5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINE' non-polymer        35  21 .
MQ7      MQ7 'MENAQUINONE-7                       ' non-polymer       112  48 .
MQ8      MQ8 'MENAQUINONE 8                       ' non-polymer       125  53 .
MQ9      MQ9 'MENAQUINONE-9                       ' non-polymer       138  58 .
MQA      MQA '.                                   ' non-polymer        44  25 .
MQD      MQD '2-METHYLPENTANE-1,2,4-TRIOL         ' non-polymer        23   9 .
MQI      MQI '8-HYDROSULFONYL-2-METHYLQUINOLINE   ' non-polymer        23  14 .
MQQ      MQQ 'N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHE' non-polymer        83  44 .
MQU      MQU '7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]' non-polymer        41  22 .
MR0      MR0 'N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)' non-polymer        84  44 .
MR1      MR1 '1-(1,3-BENZODIOXOL-5-YL)METHANAMINE ' non-polymer        20  11 .
MR2      MR2 '3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCH' non-polymer        46  31 .
MR3      MR3 '1-METHYL-1H-PYRROLE                 ' non-polymer        13   6 .
MR4      MR4 '4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYL' non-polymer        31  18 .
MR5      MR5 '4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOP' non-polymer        25  18 .
MR6      MR6 '2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZO' non-polymer        30  17 .
MR9      MR9 '4-METHYL-3-({3-[2-(METHYLAMINO)PYRIM' non-polymer        68  41 .
MRA      MRA '2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-' non-polymer        38  25 .
MRC      MRC 'MUPIROCIN                           ' non-polymer        78  35 .
MRD      MRD '(4R)-2-METHYLPENTANE-2,4-DIOL       ' non-polymer        22   8 .
MRE      MRE '2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBEN' non-polymer        34  20 .
MRG      MRG 'N2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOS' DNA                45  27 .
MRK      MRK '2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMI' non-polymer        35  23 .
MRM      MRM '4-AMINOPIPERIDINE-1-CARBOXYLIC ACID ' non-polymer        22  10 .
MRP      MRP '3-O-METHYL-ALPHA-L-RHAMNOPYRANOSIDE ' pyranose           26  12 .
MRR      MRR '(R)-2-METHYLMYRISTOYL-COENZYME A    ' non-polymer       124  64 .
MRS      MRS '(S)-2-METHYLMYRISTOYL-COENZYME A    ' non-polymer       124  64 .
MRT      MRT '"(5R,9S,12S,15S,18S,21S)-21-benzyl-1' non-polymer       138  75 .
MRU      MRU '5-S-METHYL-1-O-PHOSPHONO-5-THIO-D-RI' non-polymer        26  15 .
MRX      MRX '5-bromo-3-(pyrrolidin-1-ylsulfonyl)-' non-polymer        35  21 .
MRY      MRY 'MESO-ERYTHRITOL                     ' non-polymer        18   8 .
MS0      MS0 '(6-methoxy-1-benzofuran-3-yl)acetic ' non-polymer        24  15 .
MS1      MS1 '.                                   ' non-polymer        87  57 .
MS2      MS2 '"2,2-DICHLORO-1-METHANESULFINYL-3-ME' non-polymer        37  21 .
MS3      MS3 'N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VA' non-polymer       108  56 .
MS4      MS4 '.                                   ' non-polymer        38  26 .
MS5      MS5 '7-methoxy-2-(3-methoxybenzyl)-1,2,3,' non-polymer        48  26 .
MS7      MS7 'O-benzyl-N-methyl-L-tyrosinamide    ' non-polymer        41  21 .
MS8      MS8 '"(2R,3aR,7aR)-2-[(2S)-2-amino-3-hydr' non-polymer        33  18 .
MS9      MS9 'methyl 2-amino-4-chlorobenzoate     ' non-polymer        20  12 .
MSA      MSA '(2-S-METHYL) SARCOSINE              ' M-peptide          16   8 .
MSB      MSB '1-METHYLOXY-4-SULFONE-BENZENE       ' non-polymer        19  11 .
MSC      MSC '"2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXAN' non-polymer        83  47 .
MSD      MSD '1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-P' non-polymer        45  27 .
MSE      MSE 'SELENOMETHIONINE                    ' peptide            19   9 .
MSF      MSF '[METHYLSELENO]ACETATE               ' non-polymer        11   6 .
MSG      MSG '7-METHYL-6-THIO-GUANOSINE           ' non-polymer        36  21 .
MSH      MSH '3-METHANESULFONYL-HEXANE            ' non-polymer        26  10 .
MSI      MSI '1-METHYL-5-(2-PHENOXYMETHYL-PYRROLID' non-polymer        48  28 .
MSL      MSL '(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)' peptide            22  11 .
MSM      MSM '(METHYLSULFANYL)METHANE             ' non-polymer         9   3 .
MSN      MSN '(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTH' non-polymer        24  11 .
MSO      MSO 'SELENOMETHIONINE SELENOXIDE         ' peptide            20  10 .
MSP      MSP '5'-O-[(L-METHIONYL)-SULPHAMOYL]ADENO' non-polymer        56  31 .
MSQ      MSQ '4-[3-METHYLSULFANYLANILINO]-6,7-DIME' non-polymer        40  23 .
MSR      MSR '4-(1H-IMIDAZOL-1-YL)PHENOL          ' non-polymer        20  12 .
MSS      MSS '(MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM  ' non-polymer        36  26 .
MST      MST '2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYL' non-polymer        35  16 .
MSU      MSU 'SUCCINIC ACID MONOMETHYL ESTER      ' non-polymer        16   9 .
MT0      MT0 '1-CHLORO-4-METHYLPHTHALAZINE        ' non-polymer        19  12 .
MT1      MT1 '"N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6' non-polymer        54  33 .
MT2      MT2 '[(3S)-3-amino-3-carboxypropyl](ethyl' peptide            27  11 .
MT3      MT3 '2-benzyl-5-{4-[(6,7-dimethoxyquinoli' non-polymer        61  37 .
MT4      MT4 '5-{4-[(6,7-dimethoxyquinolin-4-yl)ox' non-polymer        60  38 .
MT5      MT5 'N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETR' non-polymer        52  22 .
MT7      MT7 'alpha-D-glucopyranosyl-(1->4)-alpha-' non-polymer       150  78 .
MT9      MT9 '"(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-1' non-polymer        76  33 .
MTA      MTA '5'-DEOXY-5'-METHYLTHIOADENOSINE     ' non-polymer        35  20 .
MTB      MTB '.                                   ' non-polymer        39  22 .
MTC      MTC '"[1,8-DIHYDROXY-11-OXO-13-(2-METHYLT' non-polymer        43  26 .
MTD      MTD '[METHYLTELLURO]ACETATE              ' non-polymer        11   6 .
MTE      MTE '"PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DI' non-polymer        36  24 .
MTF      MTF 'N-METHYLTHIOFORMAMIDE               ' non-polymer         9   4 .
MTG      MTG '[METHYLTHIO]ACETATE                 ' non-polymer        11   6 .
MTH      MTH '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7' non-polymer        36  20 .
MTI      MTI '3,4-DIHYDROXY-2-[(METHYLSULFANYL)MET' non-polymer        37  20 .
MTJ      MTJ 'N,O-DIMETHYL-L-TYROSINE             ' non-polymer        29  15 .
MTK      MTK 'MONTELUKAST                         ' non-polymer        76  41 .
MTL      MTL 'D-MANNITOL                          ' non-polymer        26  12 .
MTM      MTM '(3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]' non-polymer        39  20 .
MTN      MTN '2,2,5,5-TETRAMETHYL-3-(SULFANYLMETHY' non-polymer        29  12 .
MTP      MTP '2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-' non-polymer        34  20 .
MTQ      MTQ '(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYB' non-polymer        33  27 .
MTR      MTR '"(5-METHYL-6-OXO-1,6-DIHYDRO-PYRIDIN' DNA                34  20 .
MTS      MTS '(4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYD' non-polymer        32  18 .
MTT      MTT 'MALTOTETRAOSE                       ' non-polymer        87  45 .
MTU      MTU '9-BETA-D-RIBOFURANOSYL-9H-PURIN-2-AM' non-polymer        35  23 .
MTV      MTV '(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYB' non-polymer        34  27 .
MTW      MTW 'HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4' non-polymer        43  28 .
MTX      MTX 'METHOTREXATE                        ' non-polymer        53  33 .
MTY      MTY 'META-TYROSINE                       ' peptide            23  13 .
MTZ      MTZ '4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-Y' non-polymer        46  26 .
MU0      MU0 '(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROX' non-polymer        93  48 .
MU1      MU1 'N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-' non-polymer        92  48 .
MU2      MU2 'N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAM' non-polymer        65  34 .
MUA      MUA '9-METHYL URIC ACID                  ' non-polymer        19  13 .
MUB      MUB 'N-ACETYLMURAMIC ACID                ' non-polymer        38  20 .
MUC      MUC '[(2S)-5-oxo-2,5-dihydrofuran-2-yl]ac' non-polymer        15  10 .
MUD      MUD 'N-{[(1R)-1-carboxy-2-(methylsulfanyl' non-polymer        33  20 .
MUF      MUF '"(8alpha,10alpha,13alpha,17beta)-17-' non-polymer        62  31 .
MUG      MUG '4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE' non-polymer        42  24 .
MUH      MUH 'N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRI' non-polymer        51  33 .
MUI      MUI '(5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1' non-polymer        84  45 .
MUL      MUL 'TIAMULIN                            ' non-polymer        81  34 .
MUP      MUP 'METHOXYUNDECYLPHOSPHINIC ACID       ' non-polymer        43  16 .
MUR      MUR 'MURAMIC ACID                        ' non-polymer        33  17 .
MUS      MUS '"4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(A' non-polymer        57  33 .
MUT      MUT '(5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1' non-polymer        84  45 .
MUU      MUU '"N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYL' non-polymer        71  36 .
MUV      MUV '"N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYL' non-polymer        64  33 .
MUW      MUW 'N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]S' non-polymer        91  45 .
MV7      MV7 '.                                   ' non-polymer       118  63 .
MVA      MVA 'N-METHYLVALINE                      ' M-peptide          21   9 .
MVB      MVB '"(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYD' non-polymer        48  22 .
MVD      MVD '2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VI' non-polymer        77  31 .
MVL      MVL '(5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hy' non-polymer        27  14 .
MX1      MX1 '"(2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDR' non-polymer        45  30 .
MX3      MX3 '(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUT' non-polymer        39  21 .
MX4      MX4 '{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDR' non-polymer        35  20 .
MX5      MX5 '{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)' non-polymer        40  22 .
MXA      MXA '6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PY' non-polymer        43  24 .
MXC      MXC '"(2S,3R)-2-[(7-aminocarbonyl-2-metha' non-polymer        46  29 .
MXD      MXD '6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMI' non-polymer        30  15 .
MXE      MXE '2-METHOXYETHANOL                    ' non-polymer        13   5 .
MXF      MXF '"(2S,3R)-4-(2-aminoethylcarbamoyloxy' non-polymer        50  29 .
MXG      MXG '"2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYL' non-polymer        74  40 .
MXL      MXL 'MOXALACTAM                          ' non-polymer        54  36 .
MXN      MXN '(2R)-hydroxy(phenyl)ethanenitrile   ' non-polymer        17  10 .
MXP      MXP 'Myxopyronin B                       ' non-polymer        61  30 .
MXS      MXS '"(2S)-2-[[2-methanoyl-7-(methoxycarb' non-polymer        45  27 .
MXT      MXT '1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPE' non-polymer        40  18 .
MXX      MXX '5,8-dimethoxy-1,4-dimethylquinolin-2' non-polymer        32  17 .
MXY      MXY '2-O-METHYL FUCOSE                   ' pyranose           26  12 .
MXZ      MXZ '6-DEOXY-2-O-METHYL-ALPHA-L-GALACTOPY' non-polymer        26  12 .
MY1      MY1 '[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBO' non-polymer        50  28 .
MY2      MY2 '{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-4-O' non-polymer        36  21 .
MY3      MY3 '[N-(3-BENZYLCARBAMOYL-OXIRANECARBONY' non-polymer        37  21 .
MY4      MY4 '"(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-PHEN' non-polymer        40  22 .
MY5      MY5 '"{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1' non-polymer        47  26 .
MY6      MY6 '2-amino-7-methyl-1,7-dihydro-6H-puri' non-polymer        19  12 .
MY9      MY9 '"N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4' non-polymer        86  46 .
MYA      MYA 'TETRADECANOYL-COA                   ' non-polymer       121  63 .
MYC      MYC '3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXY' non-polymer        33  23 .
MYD      MYD '"{[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDR' non-polymer        72  43 .
MYE      MYE 'N2-({[(4-BROMOPHENYL)METHYL]OXY}CARB' non-polymer        56  27 .
MYF      MYF '5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHE' non-polymer        32  22 .
MYG      MYG 'GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITO' non-polymer        46  23 .
MYL      MYL 'Mycalamide A                        ' non-polymer        76  35 .
MYN      MYN '(2S)-amino[(4R)-2-amino-1,4,5,6-tetr' peptide            23  12 .
MYP      MYP '"4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBO' non-polymer        83  41 .
MYQ      MYQ '(S)-(1,2-DICARBOXYETHYLTHIO)GOLD    ' non-polymer        13  10 .
MYR      MYR 'MYRISTIC ACID                       ' non-polymer        43  16 .
MYS      MYS 'PENTADECANE                         ' non-polymer        47  15 .
MYT      MYT 'METYRAPONE                          ' non-polymer        31  17 .
MYU      MYU '3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROX' non-polymer        33  23 .
MYX      MYX '"(2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYL' non-polymer        66  33 .
MYY      MYY '(2R)-3-(PHOSPHONOOXY)-2-(TETRADECANO' non-polymer       105  42 .
MZ1      MZ1 'N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HY' non-polymer        67  39 .
MZ2      MZ2 '(2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3' non-polymer        64  40 .
MZ3      MZ3 'N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3' non-polymer        71  40 .
MZ4      MZ4 'N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3' non-polymer        70  40 .
MZ5      MZ5 '(2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL' non-polymer        74  37 .
MZ6      MZ6 'N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YL' non-polymer        72  39 .
MZ7      MZ7 'N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZO' non-polymer        80  40 .
MZ8      MZ8 'N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YL' non-polymer        69  38 .
MZ9      MZ9 'N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4' non-polymer        77  37 .
MZB      MZB '(1R,2R,3R,4S,5R)-4-amino-5-[(R)-meth' non-polymer        25  12 .
MZL      MZL 'N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyra' non-polymer        47  28 .
MZM      MZM '5-ACETAMIDO-4-METHYL-1,3,4-THIADIAZO' non-polymer        23  14 .
MZO      MZO 'N-(3-methoxyphenyl)-9H-purin-6-amine' non-polymer        29  18 .
MZP      MZP '4-CARBAMOYL-1-BETA-D-RIBOFURANOSYL-I' non-polymer        34  22 .
N10      N10 'O-[(HEXYLAMINO)CARBONYL]-L-SERINE   ' peptide            35  16 .
N11      N11 '6-[(7-nitro-2,1,3-benzoxadiazol-4-yl' non-polymer        35  20 .
N12      N12 'N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)MET' non-polymer        69  34 .
N16      N16 '(3Z,5S)-5-benzyl-3-[1-(phenylamino)e' non-polymer        41  23 .
N1C      N1C '.                                   ' non-polymer        53  35 .
N1H      N1H '.                                   ' non-polymer        45  30 .
N1T      N1T '.                                   ' non-polymer        43  26 .
N20      N20 '6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYA' non-polymer        46  25 .
N22      N22 '5-[3-(2,5-dimethoxyphenyl)prop-1-yn-' non-polymer        43  23 .
N23      N23 'N-[2-(2-methyl-1H-indol-3-yl)ethyl]t' non-polymer        36  20 .
N24      N24 '(2S)-2-(3-bromophenyl)-3-(5-chloro-2' non-polymer        32  21 .
N25      N25 '"1,3-BIS-(4-METHOXY-BENZENESULFONYL)' non-polymer        61  34 .
N2A      N2A 'N-[2-chloro-5-(1-{3-[4-(6-chloro-3-m' non-polymer        79  46 .
N2C      N2C 'N,S-DIMETHYLCYSTEINE                ' M-peptide          19   9 .
N2D      N2D 'N-[2-chloro-5-(1-{3-[4-(6-chloro-3-m' non-polymer        79  45 .
N2G      N2G '.                                   ' non-polymer        54  34 .
N2M      N2M '5-AMINO-NAPHTALENE-2-MONOSULFONATE  ' non-polymer        24  15 .
N2O      N2O 'NITROUS OXIDE                       ' non-polymer         3   3 .
N2P      N2P 'PENTANE-1,5-DIAMINE                 ' non-polymer        21   7 .
N2T      N2T '(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL' non-polymer        54  29 .
N30      N30 '"(1R,2R,3S,4R,6S)-4,6-DIAMINO-2-[(5-' non-polymer        65  31 .
N31      N31 'N-[3-(1H-benzimidazol-1-yl)propanoyl' non-polymer        52  28 .
N32      N32 '"(5S)-5-({3-[(2S,4aS,8S,8aS)-8-methy' non-polymer        57  31 .
N33      N33 '.                                   ' non-polymer        73  35 .
N34      N34 'N-{3-[1-(3,3-Dimethyl-butyl)-4-hydro' non-polymer        63  34 .
N35      N35 'N-{3-[5-hydroxy-2-(3-methylbutyl)-3-' non-polymer        63  35 .
N3A      N3A '"2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR' non-polymer        58  32 .
N3B      N3B '"N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CA' non-polymer        60  38 .
N3C      N3C '"4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHY' non-polymer       101  56 .
N3D      N3D 'N-methylpropane-1,3-diamine         ' non-polymer        18   6 .
N3E      N3E '1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEO' non-polymer        45  25 .
N3H      N3H 'N-{3-[5-hydroxy-2-(3-methylbutyl)-3-' non-polymer        58  35 .
N3P      N3P 'N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)N' non-polymer        36  25 .
N3T      N3T '.                                   ' non-polymer        43  26 .
N41      N41 '4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YL' non-polymer        49  27 .
N4B      N4B 'N-BUTYLBENZENE                      ' non-polymer        24  10 .
N4D      N4D 'N,4-dimethyl-3-[(1-phenyl-1H-pyrazol' non-polymer        45  27 .
N4E      N4E 'N-(4-ethoxyphenyl)acetamide         ' non-polymer        26  13 .
N4T      N4T '(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DI' non-polymer        46  26 .
N5A      N5A '.                                   ' non-polymer        40  23 .
N5B      N5B 'N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BEN' non-polymer        30  17 .
N5C      N5C '.                                   ' non-polymer        43  32 .
N5F      N5F '"(2S)-2-[({3-hydroxy-2-methyl-5-[(ph' non-polymer        43  26 .
N5G      N5G '"N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2' non-polymer        72  38 .
N5I      N5I '1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYT' non-polymer        37  24 .
N5M      N5M '.                                   ' RNA                35  24 .
N5O      N5O '.                                   ' non-polymer        39  23 .
N5P      N5P '1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYD' non-polymer        45  32 .
N5T      N5T '(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIME' non-polymer        42  24 .
N69      N69 '6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H' non-polymer        44  21 .
N6C      N6C '1-nitrohexane                       ' non-polymer        22   9 .
N6G      N6G '"((2R,3S,4R,5S)-5-(2,6-DIAMINO-9H-PU' RNA                37  24 .
N6R      N6R '.                                   ' non-polymer        52  31 .
N6S      N6S '.                                   ' non-polymer        52  31 .
N76      N76 '3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YL' non-polymer        50  28 .
N7O      N7O '"(S)-[(1S)-1-(5-chloro-1-benzothioph' non-polymer        43  28 .
N7P      N7P '1-ACETYL-D-PROLINE                  ' non-polymer        21  11 .
N7R      N7R 'N-[(3R,6S)-6-(2,3-difluorophenyl)-2-' non-polymer        67  40 .
N8C      N8C '1-nitrooctane                       ' non-polymer        28  11 .
N8E      N8E '3,6,9,12,15-PENTAOXATRICOSAN-1-OL   ' non-polymer        62  24 .
N8M      N8M '5'-deoxy-5'-(dimethylamino)-8-methyl' non-polymer        42  22 .
N8T      N8T 'N-[8-(1,2,3,4-TETRAHYDROACRIDIN-9-YL' non-polymer        79  38 .
N9H      N9H '(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUO' non-polymer        52  28 .
NA0      NA0 '3-ACETYLPYRIDINE ADENINE DINUCLEOTID' non-polymer        74  48 .
NA1      NA1 'METHYL N-ACETYL ALLOSAMINE          ' non-polymer        33  16 .
NA3      NA3 '(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBON' non-polymer        25  17 .
NA4      NA4 '4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAM' non-polymer        37  25 .
NA7      NA7 '"[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-' non-polymer        59  39 .
NA8      NA8 '(1S)-1-CARBOXY-2-NAPHTHALEN-2-YLETHA' non-polymer        29  16 .
NA9      NA9 'N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALA' non-polymer        65  32 .
NAA      NAA 'N-ACETYL-D-ALLOSAMINE               ' pyranose           30  15 .
NAB      NAB '.                                   ' non-polymer        33  22 .
NA       NA  'SODIUM ION                          ' non-polymer         1   1 .
NAD      NAD 'NICOTINAMIDE-ADENINE-DINUCLEOTIDE   ' non-polymer        70  44 .
NAE      NAE 'NICOTINAMIDE ADENINE DINUCLEOTIDE AC' non-polymer        78  48 .
NAF      NAF 'M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRI' non-polymer        32  17 .
NAG      NAG 'N-ACETYL-D-GLUCOSAMINE              ' pyranose           30  15 .
MAN-b-D  MAN 'beta_D_mannose                      ' pyranose           24  12 .
NAG-b-D  NAG 'beta_D_N-acetyl-Glucosamine         ' pyranose           30  15 .
FUC-a-L  FUC 'alpha_L_fucose                      ' pyranose           23  11 .
GAL-b-D  GAL 'beta_D_galactose                    ' pyranose           24  12 .
GLC-b-D  GLC 'beta_D_glucose                      ' pyranose           24  12 .
NAI      NAI '1,4-DIHYDRONICOTINAMIDE ADENINE DINU' non-polymer        71  44 .
NAJ      NAJ 'NICOTINAMIDE-ADENINE-DINUCLEOTIDE (A' non-polymer        71  44 .
NAK      NAK 'AMINO-ACRYLATE                      ' non-polymer        11   6 .
NAL      NAL 'BETA-(2-NAPHTHYL)-ALANINE           ' peptide            28  16 .
NAM      NAM 'NAM NAPTHYLAMINOALANINE             ' non-polymer        30  16 .
NAP      NAP 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTI' non-polymer        73  48 .
NAQ      NAQ 'NICOTINAMIDE ADENINE DINUCLEOTIDE 3-' non-polymer        84  50 .
NAR      NAR 'NARINGENIN                          ' non-polymer        32  20 .
NAS      NAS '2-NAPHTHALENESULFONIC ACID          ' non-polymer        22  14 .
NAT      NAT '"ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-' non-polymer        36  20 .
NAU      NAU '4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARB' non-polymer        41  21 .
NAV      NAV '6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXA' non-polymer        38  20 .
NAX      NAX 'BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICO' non-polymer        74  45 .
NAY      NAY '6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXA' non-polymer        38  20 .
NAZ      NAZ 'N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-' non-polymer        59  34 .
NB1      NB1 '(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)' non-polymer        33  16 .
NBA      NBA '3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}' non-polymer        40  15 .
NBB      NBB 'N-BUTYL-BENZENESULFONAMIDE          ' non-polymer        29  14 .
NBC      NBC 'S-4-NITROBUTYRYL-COA                ' non-polymer        93  56 .
NBD      NBD 'N6-BENZYL-NICOTINAMIDE-ADENINE-DINUC' non-polymer        83  51 .
NBE      NBE 'NITROSOBENZENE                      ' non-polymer        13   8 .
NBF      NBF '[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLB' non-polymer        36  20 .
NBG      NBG '1-N-ACETYL-BETA-D-GLUCOSAMINE       ' pyranose           30  15 .
NBL      NBL 'N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-' non-polymer        52  26 .
NBN      NBN 'N-BUTYL ISOCYANIDE                  ' non-polymer        15   6 .
NBP      NBP 'NICOTINAMIDE 8-BROMO-ADENINE DINUCLE' non-polymer        73  49 .
NBQ      NBQ '2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METH' peptide            52  31 .
NBS      NBS '.                                   ' non-polymer        52  34 .
NBT      NBT '(2S)-2-NITROBUTANE                  ' non-polymer        16   7 .
NBU      NBU 'N-BUTANE                            ' non-polymer        14   4 .
NBV      NBV '(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETH' non-polymer        36  15 .
NBX      NBX 'N-{[(4-aminophenyl)carbonyl]carbamoy' non-polymer        43  24 .
NBY      NBY 'N-{[(4-nitrophenyl)carbonyl]carbamoy' non-polymer        43  26 .
NBZ      NBZ 'NITROBENZENE                        ' non-polymer        14   9 .
NC1      NC1 'NITROCEFIN ACYL-SERINE              ' peptide            63  42 .
NC3      NC3 'N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE' non-polymer        29  14 .
NC4      NC4 '4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}' non-polymer        35  16 .
NC5      NC5 '3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-' non-polymer        85  40 .
NC6      NC6 '6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}' non-polymer        41  18 .
NC7      NC7 '7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}' non-polymer        44  19 .
NCA      NCA 'NICOTINAMIDE                        ' non-polymer        15   9 .
NCB      NCB 'N-CARBAMOYL-ALANINE                 ' non-polymer        16   9 .
NCC      NCC '.                                   ' non-polymer        70  41 .
NCD      NCD 'N-CARBAMOYL-L-ASPARTATE             ' non-polymer        18  12 .
NCE      NCE '3,6-Bis[(3-morpholinopropionamido)] ' non-polymer        69  36 .
NCF      NCF '"(2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACE' non-polymer        34  21 .
NCG      NCG '.                                   ' non-polymer       118  68 .
NCH      NCH 'P-NITROPHENYL-PHOSPHOCHOLINE        ' non-polymer        37  20 .
NCI      NCI '3,6-Bis{3-[(2R)-(2-ethylpiperidino)]' non-polymer        85  40 .
N        N   '.                                   ' RNA                22  13 .
NCJ      NCJ '3,6-Bis{3-[(2R)-2-methylpiperidino)]' non-polymer        79  38 .
NCK      NCK '3,6-Bis[3-(4-methylpiperidino)propio' non-polymer        79  38 .
NCL      NCL '3,6-Bis{3-(3-[(3R)-methylpiperidino)' non-polymer        79  38 .
NCM      NCM 'NORCAMPHOR                          ' non-polymer        18   8 .
NCN      NCN 'NICOTINATE MONONUCLEOTIDE           ' non-polymer        34  22 .
NCO      NCO 'COBALT HEXAMMINE(III)               ' non-polymer        25   7 .
NCP      NCP 'CIS-DIAMINODICHLOROPLATINUM         ' non-polymer         9   5 .
NCQ      NCQ '3,6-Bis[3-(azepan-1-yl)propionamido]' non-polymer        79  38 .
NCR      NCR '2-NITRO-P-CRESOL                    ' non-polymer        18  11 .
NCS      NCS '.                                   ' non-polymer        84  48 .
NCT      NCT '(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRID' non-polymer        26  12 .
NCV      NCV 'N-Methyl-6-(1,3-dihydroxy-isobutyl)t' non-polymer        32  16 .
NCW      NCW '(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-' non-polymer        50  22 .
NCX      NCX '"1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERY' DNA                41  27 .
NCY      NCY 'N-METHYLCYSTEINE                    ' M-peptide          16   8 .
NCZ      NCZ '"2-HYDROXY-7-METHOXY-5-METHYL-NAPHTH' non-polymer        42  24 .
ND4      ND4 'AMMONIUM CATION WITH D              ' non-polymer        13   5 .
NDA      NDA '3-AMINOMETHYL-PYRIDINIUM-ADENINE-DIN' non-polymer        71  43 .
NDB      NDB 'N-(2-hydroxyethyl)-N,N-dimethyl-3-su' non-polymer        31  13 .
NDC      NDC 'NICOTINAMIDE ADENINE DINUCLEOTIDE CY' non-polymer        85  51 .
NDD      NDD '2,6-DICARBOXYNAPHTHALENE            ' non-polymer        22  16 .
NDE      NDE '.                                   ' non-polymer        83  54 .
NDF      NDF 'N-(CARBOXYCARBONYL)-D-PHENYLALANINE ' non-polymer        26  17 .
NDG      NDG '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYR' pyranose           30  15 .
NDH      NDH '(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYD' non-polymer        22  12 .
NDL      NDL 'N-BENZOYL-L-NORLEUCYL-L-LYSYL-L-ARGI' non-polymer       100  48 .
NDM      NDM '7,9-DIMETHYLGUANINE                 ' non-polymer        27  13 .
NDN      NDN '.                                   ' non-polymer        33  23 .
NDO      NDO 'NICOTINAMIDE-(6-DEAMINO-6-HYDROXY-AD' non-polymer        72  48 .
NDP      NDP 'NADPH DIHYDRO-NICOTINAMIDE-ADENINE-D' non-polymer        74  48 .
NDR      NDR '(14beta,17alpha)-17-ethynyl-17-hydro' non-polymer        48  22 .
NDS      NDS 'ETHYL DIMETHYL AMMONIO PROPANE SULFO' non-polymer        29  12 .
NDT      NDT '2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1' non-polymer        34  21 .
NDU      NDU '.                                   ' DNA                35  23 .
NDZ      NDZ '"(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-' non-polymer        35  20 .
NE1      NE1 '2',3,3',4',5-PENTACHLOROBIPHENYL-4-O' non-polymer        23  18 .
NE2      NE2 '3,3',4',5-TETRACHLOROBIPHENYL-4-OL  ' non-polymer        23  17 .
NE6      NE6 '"methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-' non-polymer        61  30 .
NE8      NE8 '6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDR' non-polymer        38  23 .
NEA      NEA '5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADEN' non-polymer        40  22 .
NEB      NEB '2-DEOXY-D-STREPTAMINE               ' non-polymer        26  11 .
NEC      NEC '.                                   ' non-polymer        38  22 .
NEG      NEG 'NEGAMYCIN                           ' non-polymer        36  17 .
NEH      NEH 'ETHANAMINE                          ' non-polymer        10   3 .
NEI      NEI '(2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-P' non-polymer        38  23 .
NEN      NEN '1-ETHYL-PYRROLIDINE-2,5-DIONE       ' non-polymer        18   9 .
NEO      NEO 'NEOPTERIN                           ' non-polymer        29  18 .
NEP      NEP 'N1-PHOSPHONOHISTIDINE               ' peptide            24  15 .
NEQ      NEQ 'N-ETHYLMALEIMIDE                    ' non-polymer        16   9 .
NER      NER '(15E)-TETRACOS-15-ENOIC ACID        ' non-polymer        71  26 .
NES      NES '2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETH' non-polymer        29  14 .
NET      NET 'TETRAETHYLAMMONIUM ION              ' non-polymer        29   9 .
NEU      NEU 'L-NEOPTERIN                         ' non-polymer        29  18 .
NEX      NEX '.                                   ' non-polymer       100  44 .
NEZ      NEZ '6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-' non-polymer        41  24 .
NF2      NF2 '(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-M' RNA                35  22 .
NFA      NFA 'PHENYLALANINE AMIDE                 ' non-polymer        24  12 .
NFC      NFC 'NI-FE ACTIVE CENTER A-FORM          ' non-polymer        12  10 .
NF       NF  'N,N'-(3,7-DIAZANONYLENE)-BIS-NAPHTHA' non-polymer        69  39 .
NFD      NFD 'Nicotinamide 2-fluoro-adenine dinucl' non-polymer        70  45 .
NFE      NFE 'NI-FE ACTIVE CENTER                 ' non-polymer        10   9 .
NFG      NFG '2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-B' non-polymer        37  24 .
NFL      NFL '2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}' non-polymer        28  20 .
NFM      NFM 'N-[(4-amino-2-methylpyrimidin-5-yl)m' non-polymer        22  12 .
NFN      NFN '6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONY' non-polymer        50  29 .
NFO      NFO 'NI-FE OXIDIZED ACTIVE CENTER        ' non-polymer        11   9 .
NFP      NFP '(1E,3S)-5-phenyl-1-(phenylsulfonyl)p' non-polymer        40  21 .
NFR      NFR 'NI-FE REDUCED ACTIVE CENTER         ' non-polymer        10   8 .
NFS      NFS 'FE(4)-NI(1)-S(5) CLUSTER            ' non-polymer        14  10 .
NFT      NFT '"N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(' non-polymer        62  33 .
NFV      NFV 'NI-FE OXIDIZED ACTIVE CENTER        ' non-polymer         9   9 .
NFX      NFX '"7-[(3R)-3-aminopyrrolidin-1-yl]-8-c' non-polymer        41  25 .
NFZ      NFZ 'NITROFURAZONE                       ' non-polymer        20  14 .
NG1      NG1 'N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHO' pyranose           33  19 .
NG6      NG6 'N-ACETYL-D-GALACTOSAMINE 6-SULFATE  ' pyranose           34  19 .
NGA      NGA 'N-ACETYL-D-GALACTOSAMINE            ' pyranose           30  15 .
NGC      NGC '"3,5-dideoxy-5-[(hydroxyacetyl)amino' pyranose           40  22 .
NGD      NGD '.                                   ' non-polymer        71  45 .
NGH      NGH 'N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONY' non-polymer        41  21 .
NGK      NGK '2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-AL' non-polymer        34  19 .
NGM      NGM 'NOGALAMYCIN                         ' non-polymer       105  56 .
NGO      NGO '2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-AL' non-polymer        28  14 .
NGP      NGP 'NOGALAMYCIN (PROTONATED FORM)       ' non-polymer       108  56 .
NGR      NGR '3-O-alpha-D-glucopyranosyl-alpha-D-g' non-polymer        45  23 .
NGS      NGS '2-(acetylamino)-2-deoxy-6-O-sulfo-be' pyranose           34  19 .
NGT      NGT '3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-M' non-polymer        27  14 .
NGU      NGU 'U-58872, HYDROXY DERIVATIVE OF NOGAL' non-polymer       106  57 .
NGV      NGV '"METHYL 5,7-DIHYDROXY-2-METHYL-4,6,1' non-polymer        42  28 .
NGY      NGY '2-(acetylamino)-2-deoxy-6-O-sulfo-al' pyranose           34  19 .
NGZ      NGZ '2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GLUC' non-polymer        30  15 .
NH1      NH1 '3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHE' non-polymer        72  35 .
NH2      NH2 'AMINO GROUP                         ' non-polymer         4   1 .
NH3      NH3 'AMMONIA                             ' non-polymer         4   1 .
NH4      NH4 'AMMONIUM ION                        ' non-polymer         5   1 .
NH7      NH7 '2-[(S)-(4-chlorophenyl)(hydroxy)(1-m' non-polymer        66  39 .
NH8      NH8 '3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1' non-polymer        53  36 .
NHB      NHB 'N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)' non-polymer        41  26 .
NHC      NHC '(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicy' non-polymer        27  15 .
NHD      NHD 'NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE' non-polymer        69  44 .
NHE      NHE '2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC' non-polymer        30  13 .
NHF      NHF '1,5-anhydro-D-fructose              ' pyranose           21  11 .
NHK      NHK 'N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~' non-polymer        36  20 .
NHL      NHL '(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC' peptide            36  21 .
NHM      NHM 'S-(2-OXO)PENTADECYLCOA              ' non-polymer       124  64 .
NHN      NHN '.                                   ' non-polymer       113  57 .
NHO      NHO 'NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-' non-polymer        86  54 .
NHP      NHP '4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONI' non-polymer        32  16 .
NHQ      NHQ '.                                   ' non-polymer       123  65 .
NHR      NHR '"2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOL' non-polymer        54  35 .
NHS      NHS '10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID ' non-polymer        54  35 .
NHT      NHT '(3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-' non-polymer        32  16 .
NHV      NHV '(5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hy' non-polymer        42  22 .
NHX      NHX 'N-{(2R)-2-[2-(hydroxyamino)-2-oxoeth' non-polymer        65  33 .
NHY      NHY 'N-HYDROXYUREA                       ' non-polymer         9   5 .
NI9      NI9 '3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHON' non-polymer        29  18 .
NIA      NIA '"((2R,3S,4R,5R)-5-(5-AMINO-4-NITRO-1' non-polymer        33  22 .
NIC      NIC 'NITROISOCITRIC ACID                 ' non-polymer        18  13 .
NI       NI  'NICKEL (II) ION                     ' non-polymer         1   1 .
NID      NID '4-NITRO-INDEN-1-ONE                 ' non-polymer        18  13 .
NIE      NIE 'nitroethane                         ' non-polymer        10   5 .
NIG      NIG 'N-(IMINOMETHYL)-L-GLUTAMIC ACID     ' non-polymer        20  12 .
NII      NII '2,7-bis[3-(dimethylamino)propyl]-4,9' non-polymer        84  42 .
NIL      NIL 'Nilotinib                           ' non-polymer        61  39 .
NIM      NIM '4-NITRO-2-PHENOXYMETHANESULFONANILID' non-polymer        33  21 .
NIN      NIN 'DINITROPHENYLENE                    ' non-polymer        16  12 .
NIO      NIO 'NICOTINIC ACID                      ' non-polymer        13   9 .
NIP      NIP '4-HYDROXY-5-IODO-3-NITROPHENYLACETYL' non-polymer        39  23 .
NIR      NIR '3-(AMINOCARBONYL)-1-[(3R,4S,5R)-3,4-' non-polymer        35  17 .
NIS      NIS '2-NITROPROPANE                      ' non-polymer        13   6 .
NIT      NIT '4-NITROANILINE                      ' non-polymer        16  10 .
NIU      NIU '6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PH' non-polymer        44  22 .
NIX      NIX 'NALIDIXIC ACID                      ' non-polymer        28  17 .
NIY      NIY 'META-NITRO-TYROSINE                 ' peptide            25  16 .
NIZ      NIZ 'pyridine-4-carbohydrazide           ' non-polymer        17  10 .
NJ8      NJ8 '3-chloro-4-(2-hydroxy-4-propylphenox' non-polymer        34  20 .
NK1      NK1 '(1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.' non-polymer        28  12 .
NK2      NK2 '(1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0' non-polymer        27  11 .
NK       NK  'SALICYLALDEHYDE                     ' non-polymer        15   9 .
NKK      NKK 'N~2~-(naphthalen-2-ylcarbonyl)-L-lys' non-polymer        85  41 .
NKS      NKS 'N-(3-{[2-(4-chlorophenyl)-5-methyl-1' non-polymer        61  37 .
NKX      NKX '"(2S)-2,3-bis(nitrooxy)propyl ethyl[' non-polymer        53  33 .
NLA      NLA 'NAPHTHALEN-1-YL-ACETIC ACID         ' non-polymer        23  14 .
NLC      NLC '2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-D-G' non-polymer        51  26 .
NLE      NLE 'NORLEUCINE                          ' peptide            21   9 .
NLG      NLG 'N-ACETYL-L-GLUTAMATE                ' non-polymer        22  13 .
NLH      NLH '(2R,5S)-5-amino-2-butyl-4,4-dihydrox' non-polymer        44  18 .
NLK      NLK '(2R,5S)-5-amino-2-butyl-4-oxononanoi' non-polymer        41  17 .
NLN      NLN 'NORLEUCINE AMIDE                    ' non-polymer        23   9 .
NLO      NLO 'O-METHYL-L-NORLEUCINE               ' non-polymer        25  10 .
NLP      NLP '(1-AMINO-PENTYL)-PHOSPHONIC ACID    ' non-polymer        24  10 .
NLQ      NLQ 'N~2~-ACETYL-L-GLUTAMINE             ' non-polymer        24  13 .
NLT      NLT 'N-DODECANOYL-L-TYROSINE             ' non-polymer        58  26 .
NLX      NLX '(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17' non-polymer        49  25 .
NM1      NM1 '3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-' non-polymer        82  45 .
NM2      NM2 '3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AM' non-polymer        25  10 .
NMA      NMA 'N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer        38  22 .
NMB      NMB '2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENO' non-polymer        75  41 .
NMC      NMC 'N-CYCLOPROPYLMETHYL GLYCINE         ' M-peptide          19   9 .
NMD      NMD 'N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIME' non-polymer        72  42 .
NME      NME 'METHYLAMINE                         ' non-polymer         7   2 .
NMG      NMG 'GUANIDINO ACETATE                   ' non-polymer        14   8 .
NMH      NMH '(R)-N-(1-METHYL-HEXYL)-FORMAMIDE    ' non-polymer        27  10 .
NML      NML 'N-METHYLACETAMIDE                   ' non-polymer        12   5 .
NMM      NMM '(2S)-2-amino-5-[(N-methylcarbamimido' peptide            28  13 .
NMN      NMN 'BETA-NICOTINAMIDE RIBOSE MONOPHOSPHA' non-polymer        36  22 .
NMP      NMP '2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETY' non-polymer        59  27 .
NMQ      NMQ 'N-METHYL O-NITROPHENYL AMINOETHYLDIP' non-polymer        37  26 .
NMS      NMS '"1-(O2-(2-METHYLAMINO-2-OXO-ETHYL)-O' DNA                45  27 .
NMT      NMT '1-(O2-(METHYLCARBAMOYL)-O5-HYDROXYPH' DNA                44  26 .
NMU      NMU 'N-METHYLUREA                        ' non-polymer        11   5 .
NMX      NMX 'NITROMETHYLDETHIA COENZYME A        ' non-polymer        84  51 .
NMY      NMY 'NEOMYCIN                            ' non-polymer        88  42 .
NN1      NN1 '2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHY' non-polymer        56  29 .
NN2      NN2 '1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXID' non-polymer        48  30 .
NN3      NN3 '"3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHE' non-polymer        53  27 .
NN4      NN4 '(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHE' non-polymer        58  28 .
NNB      NNB '"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoi' non-polymer        37  24 .
NNC      NNC '"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoi' non-polymer        37  24 .
NND      NND '(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NO' non-polymer        51  20 .
NNF      NNF '2-[4-(4-fluorophenyl)piperazin-1-yl]' non-polymer        38  21 .
NNG      NNG '2-DEOXY-2-{[(S)-HYDROXY(METHYL)PHOSP' non-polymer        35  20 .
NNH      NNH 'NOR-N-OMEGA-HYDROXY-L-ARGININE      ' peptide            23  12 .
NNI      NNI '"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoi' non-polymer        37  24 .
NNL      NNL 'N-[2-(4-chlorophenyl)ethyl]-6-methyl' non-polymer        34  20 .
NNN      NNN '(2R)-2-{[4-(benzylamino)-8-(1-methyl' non-polymer        52  26 .
NNO      NNO '6-HYDROXYISONICOTINIC ACID N-OXIDE  ' non-polymer        15  11 .
NNR      NNR 'Nicotinamide riboside               ' non-polymer        33  18 .
NO1      NO1 '4-(hydroxymethyl)-3-methyl-1H-indole' non-polymer        25  15 .
NO2      NO2 'NITRITE ION                         ' non-polymer         3   3 .
NO3      NO3 'NITRATE ION                         ' non-polymer         4   4 .
NOA      NOA 'NAPHTHYLOXYACETIC ACID              ' non-polymer        24  15 .
NOB      NOB '(dihydroxyboranyloxy-hydroxy-boranyl' non-polymer        11   8 .
NOC      NOC '3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETH' non-polymer        34  19 .
NO       NO  'NITRIC OXIDE                        ' non-polymer         3   2 .
NOD      NOD 'N-ETHYLHYDROXY-DOXORUBICIN          ' non-polymer        75  42 .
NOE      NOE 'NITROSOETHANE                       ' non-polymer         9   4 .
NOG      NOG '13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BE' non-polymer        51  23 .
NOJ      NOJ '1-DEOXYNOJIRIMYCIN                  ' non-polymer        24  11 .
NOK      NOK '2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN   ' non-polymer        30  14 .
NOL      NOL 'N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTY' non-polymer        93  43 .
NOM      NOM '7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAH' non-polymer        34  22 .
NON      NON 'METHYL NONANOATE (ESTER)            ' non-polymer        32  12 .
NOP      NOP 'PYRIDOXAL-5'-PHOSPHATE-N-OXIDE      ' non-polymer        25  17 .
NOQ      NOQ '(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METH' non-polymer        50  24 .
NOR      NOR 'CYCLOHEXYL-NORSTATINE               ' non-polymer        42  17 .
NOS      NOS 'INOSINE                             ' non-polymer        31  19 .
NOT      NOT '6-azido-L-norleucine                ' peptide            23  12 .
NOV      NOV 'NOVOBIOCIN                          ' non-polymer        80  44 .
NOW      NOW 'Nalpha-[(3-tert-butyl-1-methyl-1H-py' non-polymer        57  28 .
NOX      NOX 'N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIP' non-polymer        49  24 .
NOY      NOY '(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPER' non-polymer        24  11 .
NP1      NP1 'N-(3-AMINOPROPYL)-4-METHYL-2-NITROBE' non-polymer        30  15 .
NP2      NP2 'N-(3-AMINOPROPYL)-2-NITROBENZENAMINE' non-polymer        27  14 .
NP3      NP3 '1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITR' non-polymer        31  20 .
NP4      NP4 '(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8' non-polymer        39  22 .
NP5      NP5 '(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8' non-polymer        39  22 .
NP6      NP6 '"[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4' non-polymer        50  27 .
NPA      NPA '2-(4-HYDROXY-3-NITROPHENYL)ACETIC AC' non-polymer        20  14 .
NPB      NPB '3-NITROPHENYLBORONIC ACID           ' non-polymer        18  12 .
NPC      NPC '4-HYDROXY-3-NITROPHENYLACETYL-EPSILO' non-polymer        39  22 .
NP       NP  '4-HYDROXY-3-NITROPHENYLACETYL-EPSILO' non-polymer        39  22 .
NPD      NPD '2-METHYL-3-NAPHTHALEN-1-YL-PROPIONAL' non-polymer        29  15 .
NPE      NPE '5-(PARA-NITROPHENYL PHOSPHONATE)-PEN' non-polymer        32  20 .
NPF      NPF 'ORTHONITROPHENYL-BETA-D-FUCOPYRANOSI' non-polymer        35  20 .
NPG      NPG 'N-SUCCINYL PHENYLGLYCINE            ' non-polymer        29  18 .
NPH      NPH 'CYSTEINE-METHYLENE-CARBAMOYL-1,10-PH' peptide            40  25 .
NPI      NPI '2-AMINOPIMELIC ACID                 ' non-polymer        23  12 .
NPJ      NPJ '4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRAN' non-polymer        57  32 .
NPL      NPL 'N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5' non-polymer        31  17 .
NPM      NPM 'N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-' non-polymer        49  29 .
NPN      NPN 'N-PROPYL ISOCYANIDE                 ' non-polymer        12   5 .
NPO      NPO 'P-NITROPHENOL                       ' non-polymer        15  10 .
NPP      NPP '"N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2' non-polymer        55  28 .
NPR      NPR '2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDR' non-polymer        31  18 .
NPS      NPS '(2S)-2-(6-methoxynaphthalen-2-yl)pro' non-polymer        30  17 .
NPT      NPT 'NEOPENTYLAMINE                      ' non-polymer        19   6 .
NPV      NPV '4-[8-(3-nitrophenyl)-1,7-naphthyridi' non-polymer        40  28 .
NPY      NPY 'NAPHTHALENE                         ' non-polymer        18  10 .
NPZ      NPZ '1-methyl-3-naphthalen-2-yl-1H-pyrazo' non-polymer        34  21 .
NQ       NQ  '2-HYDROXYNAPHTHOQUINONE             ' non-polymer        19  13 .
NQG      NQG '5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYD' non-polymer        83  44 .
NQI      NQI 'N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDRO' non-polymer        83  43 .
NR2      NR2 'N-({[4-(AMINOSULFONYL)PHENYL]AMINO}C' non-polymer        39  24 .
NR3      NR3 '"(1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)' non-polymer        51  26 .
NR4      NR4 '"(1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)' non-polymer        51  26 .
NR9      NR9 '(5Z)-5-(quinolin-6-ylmethylidene)-2-' non-polymer        37  24 .
NRB      NRB 'NARBOMYCIN                          ' non-polymer        83  36 .
NRG      NRG 'N-OMEGA-NITRO-L-ARGININE            ' non-polymer        27  15 .
NRI      NRI 'PHOSPHORIC ACID MONO-(4-HYDROXY-PYRR' non-polymer        22  12 .
NRM      NRM 'N-(3-methylisothiazol-5-yl)-3-(1H-py' non-polymer        32  21 .
NRO      NRO '3-[5-(2-nitropent-1-en-1-yl)furan-2-' non-polymer        36  22 .
NRP      NRP '"{4-[(4-hydroxyphenyl)methylidene]-2' non-polymer        42  24 .
NRQ      NRQ '"{(4Z)-4-(4-hydroxybenzylidene)-2-[3' non-polymer        40  24 .
NRT      NRT '6-(TETRAHYDRO-2-FURANYLMETHOXY)-9H-P' non-polymer        30  17 .
NRU      NRU 'RUTHENIUM (III) HEXAAMINE ION       ' non-polymer        25   7 .
NS1      NS1 '15-trans-1,2-dihydroneurosporene    ' non-polymer       100  40 .
NS3      NS3 '"(3S)-3-cyclopentyl-6-methyl-7-[(4-m' non-polymer        56  28 .
NS5      NS5 '15-cis-1,2-dihydroneurosporene      ' non-polymer       100  40 .
NS6      NS6 '"(3R)-3-cyclopentyl-7-[(4-methylpipe' non-polymer        54  27 .
NS7      NS7 '"(3R)-3-cyclopentyl-6-methyl-7-[(4-m' non-polymer        57  28 .
NSA      NSA '2,2-DICHLORO-N-PHENYL-ACETAMIDE     ' non-polymer        19  12 .
NSB      NSB 'N,N,N-TRIMETHYL-3-SULFOPROPAN-1-AMIN' non-polymer        27  11 .
NSC      NSC 'N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-' non-polymer        48  28 .
NSD      NSD 'N-(3-aminopropyl)propane-1,3-diamine' non-polymer        26   9 .
NSH      NSH 'Nosiheptide                         ' non-polymer       125  82 .
NSI      NSI '3-(4-METHOXYPHENYL)-N-(PHENYLSULFONY' non-polymer        63  40 .
NSK      NSK 'N-SUCCINYL LYSINE                   ' non-polymer        33  17 .
NSM      NSM 'NITROSOMETHANE                      ' non-polymer         6   3 .
NSN      NSN 'N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDE' non-polymer        25  14 .
NSP      NSP '5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-' non-polymer        20  10 .
NSS      NSS '5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADE' non-polymer        52  31 .
NST      NST '3-{[(3-NITROANILINE]SULFONYL}THIOPHE' non-polymer        28  21 .
NSX      NSX 'N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L' non-polymer       135  71 .
NSY      NSY 'N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L' non-polymer       134  70 .
NSZ      NSZ 'N-(biphenyl-4-ylacetyl)-S-methyl-L-c' non-polymer       102  53 .
NT1      NT1 'HEPARIN HEPTASACCHARIDE             ' non-polymer       213 115 .
NT2      NT2 '2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE   ' non-polymer        40  28 .
NTA      NTA 'NITRILOTRIACETIC ACID               ' non-polymer        19  13 .
NTB      NTB 'TERTIARY-BUTYLAMINE                 ' non-polymer        16   5 .
NTC      NTC '2-HYDROXY-2-NITROMETHYL SUCCINIC ACI' non-polymer        18  13 .
NT       NT  'NETROPSIN                           ' non-polymer        57  31 .
NTD      NTD '2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHY' non-polymer        33  23 .
NTF      NTF 'N-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANO' pyranose           30  18 .
NTH      NTH '"SUCCINIC ACID MONO-(13-METHYL-3-OXO' non-polymer        56  27 .
NTJ      NTJ 'R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE ' non-polymer        20   8 .
NTM      NTM 'QUINOLINIC ACID                     ' non-polymer        15  12 .
NTN      NTN 'ISONICOTINAMIDINE                   ' non-polymer        16   9 .
NTO      NTO 'TRISULFOAMINO HEPARIN PENTASACCHARID' non-polymer       142  91 .
NTP      NTP 'HEPARIN PENTASACCHARIDE             ' non-polymer       158 100 .
NTS      NTS 'NAPHTHALENE TRISULFONATE            ' non-polymer        27  22 .
NTU      NTU 'N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)T' non-polymer        62  24 .
NTZ      NTZ 'NOJIRIMYCINE TETRAZOLE              ' non-polymer        24  14 .
NU1      NU1 '8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLI' non-polymer        21  13 .
NU5      NU5 '3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H' non-polymer        66  34 .
NUP      NUP '.                                   ' non-polymer        34  22 .
NVA      NVA 'NORVALINE                           ' peptide            18   8 .
NVB      NVB 'N-methyl-4-[3-(3,4,5-trimethoxypheny' non-polymer        56  33 .
NVC      NVC 'N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2' non-polymer        51  26 .
NVG      NVG '4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-' non-polymer        52  30 .
NVI      NVI '1-VINYLIMIDAZOLE                    ' non-polymer        14   7 .
NVP      NVP '"11-CYCLOPROPYL-5,11-DIHYDRO-4-METHY' non-polymer        34  20 .
NW1      NW1 '6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRI' non-polymer        35  18 .
NWA      NWA '4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-' non-polymer        31  11 .
NXA      NXA 'N-CARBOXYALANINE                    ' non-polymer        15   9 .
NXC      NXC '"(2,6-bis[(dimethylamino-kappaN)meth' non-polymer        67  34 .
NXD      NXD '"METHYL 5-(ACETYLAMINO)-9-{[AMINO(OX' non-polymer        49  27 .
NXN      NXN '2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAP' non-polymer        27  16 .
NXX      NXX '.                                   ' non-polymer        68  44 .
NYA      NYA '(1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-h' non-polymer        87  37 .
NYB      NYB 'N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-C' M-peptide          28  12 .
NYC      NYC '"[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYP' non-polymer        42  25 .
NYG      NYG '"[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROP' non-polymer        39  24 .
NYH      NYH '1-nitrocyclohexene                  ' non-polymer        18   9 .
NYL      NYL 'N-ALLYL-ANILINE                     ' non-polymer        21  10 .
NYM      NYM '.                                   ' non-polymer        35  21 .
NYP      NYP 'N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROP' non-polymer        30  12 .
NYS      NYS 'S-{5-[(1R)-2-amino-1-hydroxyethyl]-2' peptide            34  19 .
NYT      NYT '"beta-D-fructofuranosyl-(2->1)-beta-' pyranose           87  45 .
NZA      NZA '5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENY' non-polymer        42  28 .
NZH      NZH '(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-5-YL' non-polymer        24  15 .
NZO      NZO 'nocodazole                          ' non-polymer        32  21 .
NZQ      NZQ '5,6-DIHYDROXY-NADP                  ' non-polymer        78  50 .
O04      O04 '(E)-4-((tetrahydro-2H-pyran-2-yloxyi' non-polymer        35  18 .
O09      O09 '(E)-2-(4-carbamimidoylbenzylideneami' non-polymer        26  16 .
O12      O12 'N~5~-dodecanoyl-L-ornithine         ' peptide            55  22 .
O13      O13 '(E)-4-((1-methylpiperidin-3-yloxyimi' non-polymer        39  19 .
O14      O14 '(E)-4-((1-methylpiperidin-4-yloxyimi' non-polymer        39  19 .
O15      O15 '(E)-2-(4-carbamimidoylbenzylideneami' non-polymer        32  18 .
O16      O16 '3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIO' non-polymer        50  34 .
O1C      O1C '2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-D' non-polymer        84  34 .
O25      O25 '2-[({4-[(ethylamino)methyl]-3-(trifl' non-polymer        51  29 .
O26      O26 '2-[({3-tert-butyl-4-[(methylamino)me' non-polymer        57  28 .
O27      O27 'N-[(3R)-pyrrolidin-3-yl]-2-({[3-(tri' non-polymer        62  34 .
O28      O28 '2-({[3-(trifluoromethyl)-4,5,6,7-tet' non-polymer        50  29 .
O29      O29 'N-[2-(dimethylamino)ethyl]-2-({[3-(t' non-polymer        64  34 .
O2C      O2C '3'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE  ' non-polymer        32  20 .
O2G      O2G '2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OX' RNA                41  25 .
O30      O30 'N-(3-aminopropyl)-2-({[3-(trifluorom' non-polymer        61  33 .
O33      O33 '(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydr' non-polymer        99  54 .
O40      O40 '"4-{[methyl(3-{[7-propyl-3-(trifluor' non-polymer        57  34 .
O48      O48 'decyl sulfamate                     ' non-polymer        38  15 .
O59      O59 'octane-1,8-diyl disulfamate         ' non-polymer        38  18 .
O60      O60 'decane-1,10-diyl disulfamate        ' non-polymer        44  20 .
O62      O62 '"6-(4-{[3-(2,6-dichlorophenyl)-5-(1-' non-polymer        59  37 .
O75      O75 'N-benzyl-3-(2-cyano-6-propylpyrimidi' non-polymer        64  36 .
O8A      O8A 'N-cyclopropyl-5-[2-methyl-5-(trifluo' non-polymer        40  26 .
O8G      O8G '1-(azidoacetyl)-4-(3-thiophen-2-yl-1' non-polymer        36  22 .
O8H      O8H '4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen' non-polymer        58  36 .
O8M      O8M '2-[{[(2R,3S,4R,5R)-5-(6-amino-8-meth' non-polymer        46  25 .
O90      O90 '"{3-chloro-4-[(3-{[7-propyl-3-(trifl' non-polymer        52  32 .
OA1      OA1 '(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPH' non-polymer        22  15 .
OA2      OA2 '2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OX' non-polymer        40  23 .
OA3      OA3 '4-amino-7,7-dimethyl-7,8-dihydroquin' non-polymer        27  14 .
OA4      OA4 '5-methyl-6-phenylquinazoline-2,4-dia' non-polymer        33  19 .
OA5      OA5 '6-(2-phenoxyethoxy)-1,3,5-triazine-2' non-polymer        31  18 .
OAA      OAA 'OXALOACETATE ION                    ' non-polymer        11   9 .
OAC      OAC 'TRANS-O-HYDROXY-ALPHA-METHYL CINNAMA' non-polymer        24  13 .
OAD      OAD '.                                   ' non-polymer        62  39 .
OAF      OAF '2,2-difluoro-3,3-dihydroxybutanedioi' non-polymer        14  12 .
OAI      OAI '6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXY' non-polymer        24  18 .
OAK      OAK 'N-(phenylcarbonyl)-beta-D-glucopyran' non-polymer        37  20 .
OAL      OAL '(1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYD' non-polymer        31  22 .
OAN      OAN 'O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANO' non-polymer        44  25 .
OAP      OAP '"4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]' non-polymer        72  36 .
OAR      OAR 'N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDI' non-polymer        27  11 .
OAS      OAS 'O-ACETYLSERINE                      ' peptide            18  10 .
OAW      OAW '2-amino-4-methyl-8-(1-methylethyl)-6' non-polymer        36  21 .
OBA      OBA '2-(OXALYL-AMINO)-BENZOIC ACID       ' non-polymer        20  15 .
OBE      OBE '3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-' non-polymer        41  22 .
OBF      OBF '(2S)-2-amino-4,4-difluorobutanoic ac' peptide            15   9 .
OBI      OBI '1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYR' non-polymer        37  21 .
OBN      OBN 'OUABAIN                             ' non-polymer        85  41 .
OBP      OBP '.                                   ' non-polymer        26  16 .
OBS      OBS '"(Z)-N^6-[(4S,5R)-5-(2-CARBOXYETHYL)' peptide            49  26 .
OBZ      OBZ 'O-benzylhydroxylamine               ' non-polymer        18   9 .
OC9      OC9 'OCTAN-1-OL                          ' non-polymer        27   9 .
OCA      OCA 'OCTANOIC ACID (CAPRYLIC ACID)       ' non-polymer        25  10 .
OCB      OCB 'OCTANOYLCARNITINE                   ' non-polymer        49  20 .
OCC      OCC '2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-' non-polymer        85  35 .
OCG      OCG '5-amino-N-[5-(isoxazol-3-ylcarbamoyl' non-polymer        48  30 .
OCH      OCH 'QUINOLIN-2(1H)-ONE                  ' non-polymer        18  11 .
O        O   'OXYGEN ATOM                         ' non-polymer         1   1 .
OCP      OCP 'OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLC' non-polymer        98  39 .
OCQ      OCQ '(3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXO' non-polymer        27  13 .
OCR      OCR '(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,1' non-polymer        52  23 .
OCS      OCS 'CYSTEINESULFONIC ACID               ' peptide            16  10 .
OCT      OCT 'N-OCTANE                            ' non-polymer        26   8 .
OCV      OCV 'N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYL' non-polymer        46  24 .
OCX      OCX '(5E,11E,14E)-8-oxoicosa-5,9,11,14-te' non-polymer        52  23 .
OCY      OCY 'HYDROXYETHYLCYSTEINE                ' peptide            20  10 .
ODA      ODA '9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZ' non-polymer        31  17 .
ODD      ODD '(10E,12Z)-OCTADECA-10,12-DIENOIC ACI' non-polymer        51  20 .
ODE      ODE '"DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYD' non-polymer        55  31 .
ODI      ODI 'OCTANE-1,8-DIOL                     ' non-polymer        28  10 .
ODK      ODK '3-pyridin-2-yl-1H-pyrazole-5-carboxy' non-polymer        20  14 .
ODP      ODP '4-OXO-NICOTINAMIDE-ADENINE DINUCLEOT' non-polymer        74  49 .
ODS      ODS '4-methylpiperazine-1-carboxylic acid' non-polymer        22  10 .
ODT      ODT '(11E,13E,15Z)-OCTADECA-11,13,15-TRIE' non-polymer        49  20 .
OEC      OEC 'OXYGEN EVOLVING SYSTEM              ' non-polymer         9   9 .
OEF      OEF '3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)B' non-polymer        41  24 .
OEG      OEG '.                                   ' non-polymer        13   9 .
OES      OES 'N-OCTYL-2-HYDROXYETHYL SULFOXIDE    ' non-polymer        35  13 .
OEV      OEV '(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(o' non-polymer        49  20 .
OFF      OFF '2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENY' non-polymer        51  33 .
OFI      OFI 'N-[6-(4-hydroxyphenyl)-1H-indazol-3-' non-polymer        39  22 .
OFL      OFL 'O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ' non-polymer        29  20 .
OFO      OFO 'HYDROXY DIIRON-OXO MOIETY           ' non-polymer         5   4 .
OGA      OGA 'N-OXALYLGLYCINE                     ' non-polymer        13  10 .
OGG      OGG '2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAM' non-polymer        24  12 .
OGK      OGK '"(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS' non-polymer        49  23 .
OGX      OGX '2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfan' non-polymer        46  27 .
OHA      OHA '10-oxohexadecanoic acid             ' non-polymer        48  19 .
OH       OH  'HYDROXIDE ION                       ' non-polymer         2   1 .
OHH      OHH '"2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERI' non-polymer        84  49 .
OHI      OHI '3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE' peptide            18  12 .
OHM      OHM '3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]D' non-polymer        49  21 .
OHN      OHN 'N-3-OXO-DODECANOYL-L-HOMOSERINE LACT' non-polymer        48  21 .
OHO      OHO 'CYCLOHEXANE AMINOCARBOXYLIC ACID    ' non-polymer        23  10 .
OHP      OHP '(2-HYDROXYPHENYL)ACETIC ACID        ' non-polymer        18  11 .
OHS      OHS 'O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERI' peptide            19  13 .
OHT      OHT '4-HYDROXYTAMOXIFEN                  ' non-polymer        58  29 .
OI1      OI1 '3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYD' non-polymer        75  40 .
OI7      OI7 '1,7-di-O-phosphono-beta-D-altro-hept' non-polymer        34  22 .
OIC      OIC 'OCTAHYDROINDOLE-2-CARBOXYLIC ACID   ' P-peptide          26  12 .
OID      OID '10-(1H-imidazol-1-yl)decanoic acid  ' non-polymer        38  17 .
OIN      OIN '(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]' non-polymer        44  21 .
OIO      OIO '8-(1H-imidazol-1-yl)octanoic acid   ' non-polymer        32  15 .
OIR      OIR 'N-(3-PHENYL-2-SULFANYLPROPANOYL)PHEN' non-polymer        51  28 .
OIS      OIS '(S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(' non-polymer        94  48 .
OKA      OKA 'OKADAIC ACID                        ' non-polymer       124  57 .
OKD      OKD '"N-({(1S)-1-CARBOXY-5-[4-(2,5,8,11,1' non-polymer        79  41 .
OL1      OL1 '7-phenyl-1-(5-pyridin-2-yl-1,3-oxazo' non-polymer        50  26 .
OL2      OL2 '4-[3-amino-6-(3,4,5-trimethoxyphenyl' non-polymer        53  31 .
OLA      OLA 'OLEIC ACID                          ' non-polymer        53  20 .
OLC      OLC '(2R)-2,3-dihydroxypropyl (9Z)-octade' non-polymer        65  25 .
OLN      OLN '(S)-2-ACETAMIDO-5-UREIDOPENTANOIC AC' non-polymer        29  15 .
OLO      OLO 'OLOMOUCINE                          ' non-polymer        40  22 .
OLP      OLP '2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROA' non-polymer        43  24 .
OLT      OLT 'O-METHYL-L-THREONINE                ' peptide            19   9 .
OLU      OLU '2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-' non-polymer        22  16 .
OLZ      OLZ 'O-(2-aminoethyl)-L-serine           ' peptide            21  10 .
OMC      OMC 'O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE' RNA                36  22 .
OMD      OMD '2-(3,6-DIHYDROXYPHENYL)ACETIC ACID  ' non-polymer        19  12 .
OMG      OMG 'O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE' RNA                39  25 .
OMH      OMH 'O-[(S)-hydroxy(methoxy)phosphoryl]-L' peptide            20  12 .
OMN      OMN '"4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-' non-polymer        27  22 .
OMO      OMO 'MO(VI)(=O)(OH)2 CLUSTER             ' non-polymer         6   4 .
OMP      OMP 'OROTIDINE-5'-MONOPHOSPHATE          ' non-polymer        34  24 .
OMT      OMT 'S-DIOXYMETHIONINE                   ' peptide            21  11 .
OMU      OMU '.                                   ' RNA                35  22 .
OMX      OMX '(betaR)-beta-hydroxy-L-Tyrosine     ' peptide            24  14 .
OMY      OMY '(betaR)-3-chloro-beta-hydroxy-L-tyro' peptide            24  15 .
ON1      ON1 '2-(3,4-dichlorobenzyl)-5,6-dihydroxy' non-polymer        27  20 .
ONA      ONA '.                                   ' non-polymer        60  41 .
ONE      ONE '1-(BETA-D-RIBOFURANOSYL)-PYRIDIN-4-O' RNA                32  20 .
ONL      ONL '5-OXO-L-NORLEUCINE                  ' peptide            20  10 .
ONM      ONM '3'-O-(N-METHYLANTHRANILOYL)-GUANOSIN' non-polymer        61  42 .
ONO      ONO '"2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMI' non-polymer        69  39 .
ONP      ONP 'O-NITROPHENYL AMINOETHYLDIPHOSPHATE ' non-polymer        34  25 .
OOA      OOA '3-OXOOCTANOIC ACID                  ' non-polymer        24  11 .
OPA      OPA '2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIE' non-polymer        25  18 .
OPB      OPB '4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYL' non-polymer        44  24 .
OPC      OPC '"(7R,17E)-4-HYDROXY-N,N,N,7-TETRAMET' non-polymer       141  55 .
OPD      OPD '9R,13R-12-OXOPHYTODIENOIC ACID      ' non-polymer        48  21 .
OPE      OPE 'PHOSPHORIC ACID MONO-(2-AMINO-ETHYL)' non-polymer        14   8 .
OPG      OPG 'OXIRANPSEUDOGLUCOSE                 ' non-polymer        24  12 .
OPH      OPH '2-HYDROXY-3-PHENYL-PROPIONIC ACID ME' non-polymer        25  13 .
OPI      OPI 'PANTOTHENYL-AMINOETHANOL-11-PIVALIC ' non-polymer        54  24 .
OPM      OPM 'O1-PENTYL-MANNOSE                   ' pyranose           39  17 .
OPN      OPN '"{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-DIHY' non-polymer        38  22 .
OPP      OPP '1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETH' non-polymer        25  17 .
OPQ      OPQ '((3S,4S)-4-((2S,3S)-2-(2-(NAPTHALEN-' non-polymer        82  37 .
OPR      OPR 'C-(3-OXOPROPYL)ARGININE             ' non-polymer        33  15 .
OPS      OPS '3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPA' non-polymer        19  10 .
OPT      OPT 'S-benzyl-N-(biphenyl-4-ylacetyl)-L-c' non-polymer       115  60 .
OPY      OPY '(3S)-4-oxo-4-piperidin-1-ylbutane-1,' non-polymer        32  13 .
OQB      OQB '"4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMI' non-polymer        58  37 .
ORD      ORD 'D-ORNITHINE                         ' peptide            20   9 .
ORE      ORE '4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-X' non-polymer        38  30 .
ORG      ORG '4-(cyclohexylamino)-6-piperazin-1-yl' non-polymer        42  21 .
ORH      ORH '3,5-dioxo-4-(3-piperidin-1-ylpropyl)' non-polymer        49  29 .
ORN      ORN 'ORNITHINE                           ' peptide            22   9 .
ORO      ORO 'OROTIC ACID                         ' non-polymer        14  11 .
ORP      ORP '2-DEOXY-5-PHOSPHONO-RIBOSE          ' non-polymer        22  13 .
ORQ      ORQ 'N~5~-ACETYL-L-ORNITHINE             ' peptide            25  12 .
ORX      ORX 'N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPH' non-polymer        43  24 .
OS4      OS4 'OSMIUM 4+ ION                       ' non-polymer         1   1 .
OSB      OSB '2-SUCCINYLBENZOATE                  ' non-polymer        24  16 .
OSC      OSC '(2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO' non-polymer        89  45 .
OS       OS  'OSMIUM ION                          ' non-polymer         1   1 .
OSE      OSE 'O-SULFO-L-SERINE                    ' peptide            17  11 .
OSF      OSF 'octyl sulfate                       ' non-polymer        30  13 .
OSM      OSM '1-(OXIDOSULFANYL)METHANAMINE        ' non-polymer         9   4 .
OSP      OSP 'SULTHIAME                           ' non-polymer        32  18 .
OSS      OSS '6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHY' non-polymer        40  18 .
OST      OST 'METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PH' non-polymer        40  22 .
OSU      OSU 'N-OCTANOYLSUCROSE                   ' non-polymer        68  32 .
OTA      OTA '2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-' non-polymer        26  18 .
OTD      OTD '2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4' non-polymer        17  13 .
OTG      OTG 'ORTHO-TOLUOYLGLUCOSAMINE            ' non-polymer        40  21 .
OTH      OTH 'N,O-dimethyl-L-threonine            ' non-polymer        22  10 .
OTK      OTK '"(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-' non-polymer        74  36 .
OTP      OTP '"(2E,6E,10E,14E,18E,22E,26E)-3,7,11,' non-polymer       114  49 .
OTR      OTR '4-(2R-AMINO-1-HYDROXYETHYL)PHENOL   ' non-polymer        22  11 .
OTS      OTS '4-(2S-AMINO-1-HYDROXYETHYL)PHENOL   ' non-polymer        22  11 .
OTT      OTT '(2E,4E,6E)-octa-2,4,6-trienoic acid ' non-polymer        19  10 .
OTY      OTY '2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA-' peptide            24  14 .
OUT      OUT 'CARBAMIC ACID                       ' non-polymer         7   4 .
OVA      OVA '"3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-' non-polymer        47  21 .
OWL      OWL 'N-1H-imidazol-2-yl-N'-[4-(1H-imidazo' non-polymer        42  25 .
OX1      OX1 '.                                   ' non-polymer        37  22 .
OX2      OX2 '2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1' pyranose           31  17 .
OX3      OX3 '4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLC' non-polymer        35  18 .
OX4      OX4 '3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CY' non-polymer        35  19 .
OX5      OX5 '4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHY' non-polymer        34  17 .
OX6      OX6 'TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-O' non-polymer        36  17 .
OX7      OX7 'TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-O' non-polymer        36  17 .
OXC      OXC 'OXONIC ACID                         ' non-polymer        15  11 .
OXD      OXD 'OXALIC ACID                         ' non-polymer         6   6 .
OXE      OXE 'ORTHO-XYLENE                        ' non-polymer        18   8 .
OXG      OXG '8-OXOGUANINE                        ' non-polymer        15  12 .
OXI      OXI 'OXOLINIC ACID                       ' non-polymer        29  19 .
OXK      OXK 'OXALYL-COENZYME A                   ' non-polymer        84  53 .
OXL      OXL 'OXALATE ION                         ' non-polymer         6   6 .
OXM      OXM 'OXAMIC ACID                         ' non-polymer         8   6 .
OXN      OXN 'OXTOXYNOL-10                        ' non-polymer       107  45 .
OXP      OXP '2-OXO-3-PENTENOIC ACID              ' non-polymer        13   8 .
OXQ      OXQ '4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXY' non-polymer        10   9 .
OXR      OXR '4-OXORETINOL                        ' non-polymer        50  22 .
OXS      OXS '2-OXALOSUCCINIC ACID                ' non-polymer        16  13 .
OXT      OXT '.                                   ' non-polymer       124  76 .
OXX      OXX 'OXALYL-ASPARTYL ANHYDRIDE           ' peptide            19  14 .
OXY      OXY 'OXYGEN MOLECULE                     ' non-polymer         2   2 .
OXZ      OXZ 'TETRAHYDROOXAZINE                   ' non-polymer        21  10 .
OYA      OYA 'OCTANAL                             ' non-polymer        25   9 .
OYJ      OYJ '"(3R,4R)-1-METHANESULFONYL-PYRROLIDI' non-polymer        58  37 .
OZ2      OZ2 '"(2R)-3-{[(R)-{[(2S)-2,3-dihydroxypr' non-polymer       116  48 .
OZT      OZT '(4S,5R)-5-methyl-2-oxo-1,3-oxazolidi' non-polymer        16  10 .
P01      P01 '2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOP' non-polymer        52  27 .
P03      P03 '2-[3-[3-(2-hydroxyethoxy)propoxy]pro' non-polymer        37  15 .
P04      P04 '19-(cyclopropylamino)-4,6,7,15-tetra' non-polymer        48  27 .
P0E      P0E 'PHOSPHATIDYL ETHANOL                ' non-polymer       121  49 .
P0P      P0P '"[4-(DIHYDROXYMETHYL)-5-HYDROXY-6-ME' non-polymer        27  17 .
P10      P10 '"[1-(3-HYDROXY-2-OXO-1-PHENETHYL-PRO' non-polymer        64  35 .
P11      P11 '"IMIDAZOLE-PYRROLE-BETA ALANINE-IMID' non-polymer       122  66 .
P12      P12 '4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMON' non-polymer        52  23 .
P13      P13 'N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-' non-polymer        63  30 .
P14      P14 'N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AM' non-polymer        56  25 .
P15      P15 '2,5,8,11,14,17-HEXAOXANONADECAN-19-O' non-polymer        48  20 .
P16      P16 '6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROX' non-polymer        45  29 .
P17      P17 '6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(' non-polymer        45  29 .
P19      P19 'N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]T' non-polymer        37  23 .
P1A      P1A '2,3,14,20,22-PENTAHYDROXYCHOLEST-7-E' non-polymer        77  33 .
P1C      P1C 'DEACETOXYCEPHALOSPORIN-C            ' non-polymer        41  24 .
P1D      P1D '"((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6' non-polymer        41  25 .
P1E      P1E '4-{[4-{[(1R,2R)-2-(dimethylamino)cyc' non-polymer        56  31 .
P1G      P1G '"((2R,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,' non-polymer        42  26 .
P1H      P1H '.                                   ' non-polymer        91  55 .
P1L      P1L 'S-PALMITOYL-L-CYSTEINE              ' peptide            60  24 .
P1O      P1O '1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOC' non-polymer        94  38 .
P1P      P1P '3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN-1' non-polymer        15   8 .
P1R      P1R 'PYRIMIDINE                          ' non-polymer        10   6 .
P1S      P1S '(6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3' non-polymer        37  23 .
P1T      P1T '"2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHO' non-polymer        33  21 .
P1Z      P1Z '4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,' non-polymer        43  23 .
P20      P20 '2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-C' non-polymer        28  17 .
P21      P21 '4-chloro-N-(3-methoxypropyl)-N-[(3S)' non-polymer        60  29 .
P22      P22 'ETHYL DIHYDROGEN DIPHOSPHATE        ' non-polymer        16  11 .
P23      P23 'PROPYL TRIHYDROGEN DIPHOSPHATE      ' non-polymer        19  12 .
P24      P24 '1-(AMINOETHYL)AMINO-4-AMINOBUTANE   ' non-polymer        26   9 .
P25      P25 'PENTYL TRIHYDROGEN DIPHOSPHATE      ' non-polymer        25  14 .
P26      P26 '"4-[2-(1,1,3,3-tetramethyl-2,3-dihyd' non-polymer        52  27 .
P27      P27 '"{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-' non-polymer        69  46 .
P28      P28 '3',5'-DINITRO-N-ACETYL-L-THYRONINE  ' non-polymer        43  29 .
P29      P29 '4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2' non-polymer        41  26 .
P2A      P2A '1,2-DIETHANOYL-SN-GLYCERO-3-PHOSPHAT' non-polymer        27  16 .
P2C      P2C '2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL' non-polymer        29  21 .
P2G      P2G '"(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6' non-polymer        39  25 .
P2H      P2H '1-(2-hydroxy-2,2-diphosphonoethyl)-3' non-polymer        39  23 .
P2I      P2I '1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOIN' non-polymer        49  27 .
P2M      P2M 'N-(pyridin-2-ylmethyl)naphthalene-1-' non-polymer        35  21 .
P2N      P2N '(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7' non-polymer        42  23 .
P2O      P2O '3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ON' non-polymer        16   9 .
P2P      P2P 'N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDR' non-polymer        34  23 .
P2Q      P2Q '2-hydroxy-5-{[(1S,2E)-1-formyl-4-phe' peptide            49  28 .
P2S      P2S '(2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL' non-polymer        38  21 .
P2T      P2T '.                                   ' DNA                44  25 .
P2U      P2U '2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHA' DNA                31  20 .
P2Y      P2Y '(2S)-PYRROLIDIN-2-YLMETHYLAMINE     ' non-polymer        19   7 .
P32      P32 '4-{[(2S)-3-(tert-butylamino)-2-hydro' non-polymer        42  21 .
P33      P33 '3,6,9,12,15,18-HEXAOXAICOSANE-1,20-D' non-polymer        52  22 .
P34      P34 'N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-D' non-polymer        39  22 .
P36      P36 '1-benzyl-4-(benzyloxy)-3-bromopyridi' non-polymer        39  23 .
P37      P37 'N-cyclopropyl-3-{[1-(2,4-difluorophe' non-polymer        54  33 .
P38      P38 '5-methyl-4-[(2-methyl-5-{[(2-morphol' non-polymer        76  44 .
P39      P39 '5-methyl-4-[(2-methyl-5-{[(3-morphol' non-polymer        79  44 .
P3A      P3A 'PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL' non-polymer       136  58 .
P3D      P3D '"(4-{(E)-[(5-AMINOPENTYL)IMINO]METHY' non-polymer        42  22 .
P3F      P3F '"PHOSPHORIC ACID MONO-(5-HYDROXY-6-M' non-polymer        49  33 .
P3G      P3G '3,6,9,12,15-PENTAOXAHEPTADECANE     ' non-polymer        43  17 .
P3M      P3M '1-3 SUGAR RING OF PENTAMANNOSYL 6-PH' non-polymer        69  38 .
P3P      P3P '(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)' non-polymer        25  15 .
P3Q      P3Q '2-hydroxy-5-{[(1E)-1-(2-oxoethyliden' peptide            51  28 .
P3S      P3S 'L-METHIONINE-S-SULFOXIMINE PHOSPHATE' non-polymer        27  15 .
P3T      P3T '"(4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-' non-polymer        41  21 .
P3Y      P3Y '5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,' non-polymer        48  28 .
P40      P40 'N-cyclopropyl-4-methyl-3-{2-[(2-morp' non-polymer        61  32 .
P41      P41 '6-[4-(2-fluorophenyl)-1,3-oxazol-5-y' non-polymer        41  25 .
P42      P42 '"(2S)-2-{[(1R)-1-hydroxyhexadecyl]ox' non-polymer       140  52 .
P44      P44 '2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLA' non-polymer        47  26 .
P45      P45 '2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMI' non-polymer        41  27 .
P47      P47 '(2Z)-5-(4-chlorophenyl)-3-phenylpent' non-polymer        34  20 .
P48      P48 'N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLP' non-polymer        66  34 .
P49      P49 '"1-methyl-8-(phenylamino)-4,5-dihydr' non-polymer        38  24 .
P4A      P4A '4-[4-(4-methoxyphenyl)-5-methyl-1H-p' non-polymer        38  22 .
P4C      P4C 'O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL ' non-polymer        50  22 .
P4G      P4G '1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE   ' non-polymer        29  11 .
P4L      P4L '2-pyridin-2-yl-7,8-dihydro-5H-thiopy' non-polymer        28  17 .
P4O      P4O '2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,' non-polymer        42  26 .
P4P      P4P 'TETRAPHENYLPHOSPHONIUM              ' non-polymer        45  25 .
P4T      P4T '2-PHENYLAMINO-4-METHYL-5-ACETYL THIA' non-polymer        28  16 .
P55      P55 '2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLA' non-polymer        46  26 .
P5A      P5A ''5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOS' non-polymer        51  30 .
P5B      P5B 'N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-' non-polymer        72  39 .
P5C      P5C '2-{[(1R,2S)-2-aminocyclohexyl]amino}' non-polymer        49  25 .
P5P      P5P '.                                   ' RNA                33  22 .
P63      P63 'N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOL' non-polymer        45  29 .
P66      P66 '4-chloro-N-cyclopropyl-3-{[1-(2,6-di' non-polymer        46  31 .
P6C      P6C '2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARB' non-polymer        27  17 .
P6F      P6F '1,6-di-O-phosphono-D-fructose       ' non-polymer        30  20 .
P6G      P6G 'HEXAETHYLENE GLYCOL                 ' non-polymer        45  19 .
P6L      P6L '"(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL' non-polymer       125  51 .
P6P      P6P '6-O-phosphono-alpha-D-fructofuranose' non-polymer        27  16 .
P6T      P6T '1,6-di-O-phosphono-D-tagatose       ' non-polymer        30  20 .
P77      P77 '2-chloro-10-[3-(4-methylpiperazin-1-' non-polymer        49  25 .
P83      P83 '1-(9-ethyl-9H-carbazol-3-yl)-N-methy' non-polymer        36  18 .
P89      P89 '1-{[(1E)-(3-HYDROXY-2-METHYL-5-{[(TR' non-polymer        61  28 .
P8D      P8D 'phosphinate pseudodipeptide L-Ala-D-' non-polymer        27  15 .
P8H      P8H '3-bromo-5-[(4-pyrrolidin-1-ylpiperid' non-polymer        40  20 .
P90      P90 '"{4-[(2S,4E)-2-(1,3-BENZOTHIAZOL-2-Y' non-polymer        67  42 .
P91      P91 '8-bromo-4-(2-chlorophenyl)-N-(2-hydr' non-polymer        44  29 .
P99      P99 '2-[2,6-difluoro-4-({2-[(phenylsulfon' non-polymer        42  26 .
P9A      P9A '"3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-di' non-polymer        60  32 .
P9C      P9C '"3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6' non-polymer        70  38 .
PA0      PA0 'Phenylarsine oxide                  ' non-polymer        13   8 .
PA1      PA1 'PAROMOMYCIN (RING 1)                ' non-polymer        25  12 .
PA2      PA2 'PAROMOMYCIN (RING 2)                ' non-polymer        24  10 .
PA3      PA3 'PAROMOMYCIN (RING 3)                ' non-polymer        18   8 .
PA5      PA5 '5-PHOSPHOARABINONIC ACID            ' non-polymer        23  15 .
PA6      PA6 '(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PR' non-polymer        33  18 .
PA7      PA7 'N-PROPYL CARBOXYAMIDO ADENOSINE     ' non-polymer        41  23 .
PA8      PA8 '1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHAT' non-polymer        63  28 .
PA9      PA9 'N~2~-acetyl-N~5~-(phosphonoacetyl)-L' non-polymer        35  19 .
PAA      PAA '(N-METHYLPYRIDYL)ACETIC ACID        ' non-polymer        20  11 .
PAB      PAB '4-AMINOBENZOIC ACID                 ' non-polymer        16  10 .
PAC      PAC '2-PHENYLACETIC ACID                 ' non-polymer        17  10 .
PAD      PAD '5-BETA-D-RIBOFURANOSYLPICOLINAMIDE A' non-polymer        70  44 .
PAE      PAE 'PHOSPHONOACETIC ACID                ' non-polymer        12   8 .
PAF      PAF 'PANTOATE                            ' non-polymer        21  10 .
PAH      PAH 'PHOSPHONOACETOHYDROXAMIC ACID       ' non-polymer        15   9 .
PAI      PAI '"{[(2,2-DIHYDROXY-ETHYL)-(2,3,4,5-TE' non-polymer        46  25 .
PAJ      PAJ 'PANTOYL ADENYLATE                   ' non-polymer        55  32 .
PAK      PAK '9-CYANO PAULLONE                    ' non-polymer        32  21 .
PAL      PAL 'N-(PHOSPHONACETYL)-L-ASPARTIC ACID  ' non-polymer        24  16 .
PAM      PAM 'PALMITOLEIC ACID                    ' non-polymer        47  18 .
PAN      PAN '5-PHOSPHO-D-ARABINOHYDROXAMIC ACID  ' non-polymer        26  16 .
PAO      PAO 'N-(PHOSPHONOACETYL)-L-ORNITHINE     ' non-polymer        30  16 .
PAP      PAP '3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHAT' non-polymer        42  31 .
PAQ      PAQ '2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDI' peptide            37  22 .
PAR      PAR 'PAROMOMYCIN                         ' non-polymer        87  42 .
PAT      PAT 'ALPHA-PHOSPHONO-TRYPTOPHAN          ' peptide            31  19 .
PAU      PAU 'PANTOTHENOIC ACID                   ' non-polymer        31  15 .
PAV      PAV '(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROX' non-polymer        20  10 .
PAW      PAW 'N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHY' non-polymer        36  13 .
PAX      PAX '.                                   ' non-polymer        74  51 .
PAY      PAY 'OCTANE-1,3,5,7-TETRACARBOXYLIC ACID ' non-polymer        34  20 .
PAZ      PAZ 'N-[(2R)-2-hydroxy-3,3-dimethyl-4-(ph' non-polymer        34  19 .
PB1      PB1 '3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPT' non-polymer        34  16 .
PB2      PB2 '1-(biphenyl-4-ylmethyl)-1H-imidazole' non-polymer        32  18 .
PB3      PB3 'N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4' non-polymer        50  28 .
PB4      PB4 'N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYR' non-polymer        50  30 .
PB5      PB5 'N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDI' non-polymer        42  26 .
PB6      PB6 '3-[(1E)-but-1-en-1-yl]-1-(2,2-diphos' non-polymer        38  20 .
PB9      PB9 '"methyl 4-{[{(3S)-6-cyano-1-[(1-meth' non-polymer        73  40 .
PBA      PBA 'PHENYLETHANE BORONIC ACID           ' non-polymer        22  11 .
PBB      PBB 'S-(4-BROMOBENZYL)CYSTEINE           ' peptide            26  15 .
PBC      PBC 'PHENYL BORONIC ACID                 ' non-polymer        16   9 .
PB       PB  'LEAD (II) ION                       ' non-polymer         1   1 .
PBE      PBE '1,1-DIMETHYL-PROLINIUM              ' non-polymer        23  10 .
PBF      PBF 'PARA-(BENZOYL)-PHENYLALANINE        ' peptide            34  20 .
PBG      PBG '3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)' non-polymer        28  16 .
PBH      PBH '(11aS)-7-methoxy-8-(3-{4-[6-(4-methy' non-polymer        84  44 .
PBI      PBI '"[2-AMINOMETHYL-5-OXO-4-(4-OXO-CYCLO' non-polymer        34  19 .
PBM      PBM 'TRIMETHYL LEAD ION                  ' non-polymer        13   4 .
PBN      PBN '4-PHENYLBUTYLAMINE                  ' non-polymer        26  11 .
PBO      PBO '1-PYRIDIN-3-YLBUTAN-1-ONE           ' non-polymer        22  11 .
PBP      PBP '1-(4-BROMO-PHENYL)-ETHANONE         ' non-polymer        17  10 .
PBQ      PBQ 'PENTABROMOPSEUDILIN                 ' non-polymer        21  17 .
PBR      PBR 'PENTABROMOPHENOL                    ' non-polymer        13  12 .
PBS      PBS '(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GA' non-polymer       105  42 .
PBT      PBT '"[3-HYDROXY-5-(5-METHYL-2,4-DIOXOTET' non-polymer        36  21 .
PBU      PBU '"(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,' non-polymer        67  39 .
PBZ      PBZ 'P-AMINO BENZAMIDINE                 ' non-polymer        20  10 .
PC0      PC0 '1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)' non-polymer        42  23 .
PC1      PC1 '1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLI' non-polymer       142  54 .
PC3      PC3 'COPROPORPHYRIN I CONTAINING CO(III) ' non-polymer        81  49 .
PC4      PC4 'TETRACHLOROPLATINATE(II)            ' non-polymer         5   5 .
PC5      PC5 '1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITH' non-polymer        64  28 .
PC6      PC6 '"7-[(DODECANOYLOXY)METHYL]-4-HYDROXY' non-polymer       145  55 .
PC7      PC7 '"(7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OX' non-polymer       136  52 .
PC8      PC8 '1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOC' non-polymer        82  34 .
PC9      PC9 '"(7R,14S)-14,15-DIBROMO-4-HYDROXY-N,' non-polymer       136  54 .
PCA      PCA 'PYROGLUTAMIC ACID                   ' P-peptide          15   9 .
PCB      PCB '4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5' non-polymer        34  24 .
PC       PC  'PHOSPHOCHOLINE                      ' non-polymer        24  11 .
PCD      PCD '(MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE' non-polymer        72  48 .
PCE      PCE '2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BU' non-polymer        43  19 .
PCF      PCF '1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLIN' non-polymer       130  50 .
PCG      PCG 'CYCLIC GUANOSINE MONOPHOSPHATE      ' non-polymer        34  23 .
PCH      PCH '3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-4-YL' non-polymer        43  19 .
PCI      PCI 'PENTACHLOROPHENOL                   ' non-polymer        13  12 .
P        P   '.                                   ' DNA                42  26 .
PCJ      PCJ '"(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOY' non-polymer       167  62 .
PCK      PCK '"(7R,18S,19R)-18,19-DIBROMO-7-{[(9S,' non-polymer       142  58 .
PCL      PCL 'PLATINUM(II) DI-CHLORIDE            ' non-polymer         3   3 .
PCM      PCM '1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUC' non-polymer        85  43 .
PCN      PCN '"2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-ME' non-polymer        44  26 .
PCO      PCO '2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYL' non-polymer        38  18 .
PCP      PCP '1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALP' non-polymer        32  22 .
PCQ      PCQ '3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-' non-polymer        24  18 .
PCR      PCR 'P-CRESOL                            ' non-polymer        16   8 .
PCS      PCS 'PHENYLALANYLMETHYLCHLORIDE          ' non-polymer        25  13 .
PCT      PCT 'PHOSPHONOACETAMIDE                  ' non-polymer        14   8 .
PCU      PCU 'CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PO' non-polymer        89  53 .
PCV      PCV '5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-' non-polymer        27  14 .
PCW      PCW '1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHO' non-polymer       138  54 .
PCX      PCX 'DEOXYGUANIDINOPROCLAVAMINIC ACID    ' non-polymer        31  16 .
PCY      PCY 'PACTAMYCIN                          ' non-polymer        78  40 .
PCZ      PCZ 'PCNOTAXIME GROUP                    ' non-polymer        40  27 .
PD1      PD1 '1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHE' non-polymer        79  38 .
PD2      PD2 'PYRIDINE-2,4-DICARBOXYLIC ACID      ' non-polymer        15  12 .
PD3      PD3 '1-{3-[(4-amino-1-cyclopentyl-1H-pyra' non-polymer        60  36 .
PD4      PD4 '6-(6-methoxypyridin-3-yl)-2-[(2-morp' non-polymer        66  34 .
PD5      PD5 '1-{4-[4-amino-1-(1-methylethyl)-1H-p' non-polymer        53  33 .
PD6      PD6 '5-amino-1-butyl-7-phenyl-1,6-naphthy' non-polymer        41  22 .
PD7      PD7 '(2R)-3-(phosphonooxy)propane-1,2-diy' non-polymer        57  26 .
PD8      PD8 'PHOSPHORYLATED DIHYDROPTEROATE      ' non-polymer        38  27 .
PDA      PDA '"2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOO' non-polymer        35  21 .
PDB      PDB '1-(2-methylphenyl)-6-[(2R)-3,3,3-tri' non-polymer        39  24 .
PDC      PDC 'PYRIDINE-2,6-DICARBOXYLIC ACID      ' non-polymer        15  12 .
PD       PD  'PALLADIUM ION                       ' non-polymer         1   1 .
PDD      PDD 'N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE   ' non-polymer        35  21 .
PDE      PDE 'PARA-NITROPHENYL PHOSPHONOBUTANOYL D' non-polymer        40  24 .
PDG      PDG '"N-({3-HYDROXY-2-METHYL-5-[(PHOSPHON' non-polymer        40  25 .
PDH      PDH '(2S)-2-AMINO-3-PHENYL-1-PROPANOL    ' non-polymer        24  11 .
PDI      PDI 'PHOSPHORIC ACID MONO-(3-HYDROXY-PROP' non-polymer        16   9 .
PDJ      PDJ '(2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPY' non-polymer       120  45 .
PDK      PDK '"(10S,13R)-3-{2-[{2-[bis(carboxymeth' non-polymer       151  69 .
PDM      PDM '4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHE' non-polymer        36  21 .
PDN      PDN '17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11' non-polymer        52  26 .
PDO      PDO '1,3-PROPANDIOL                      ' non-polymer        13   5 .
PDP      PDP 'PYRIDOXAL-5'-DIPHOSPHATE            ' non-polymer        28  20 .
PDQ      PDQ '3-amino-7-{(3R)-3-[(1S)-1-aminoethyl' non-polymer        50  26 .
PDR      PDR '3-(4-chloro-1H-pyrrolo[2,3-b]pyridin' non-polymer        39  24 .
PDS      PDS '3-{1-[3-(DIMETHYLAMINO)PROPYL]-2-MET' non-polymer        61  33 .
PDT      PDT '1,3-PROPANEDITHIOL                  ' non-polymer        13   5 .
PDU      PDU '5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONO' DNA                40  23 .
PDV      PDV 'Divanadate ion                      ' non-polymer        10   9 .
PDX      PDX '2,3-DI-O-SULFO-ALPHA-D-GLUCOPYRANOSE' non-polymer        32  20 .
PDY      PDY 'N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-' non-polymer        53  27 .
PDZ      PDZ '6-(4-chloro-2-fluoro-3-phenoxybenzyl' non-polymer        35  23 .
PE0      PE0 'PTERINE                             ' non-polymer        17  12 .
PE1      PE1 'N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPH' non-polymer        46  25 .
PE2      PE2 '9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-' non-polymer        33  18 .
PE3      PE3 '3,6,9,12,15,18,21,24,27,30,33,36,39-' non-polymer       101  43 .
PE4      PE4 '2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-E' non-polymer        58  24 .
PE5      PE5 '3,6,9,12,15,18,21,24-OCTAOXAHEXACOSA' non-polymer        65  27 .
PE6      PE6 'PHOSPHORYL-HEXAETHYLENE GLYCOL      ' non-polymer        48  23 .
PE7      PE7 '1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL ' non-polymer        52  22 .
PE8      PE8 '3,6,9,12,15,18,21-HEPTAOXATRICOSANE-' non-polymer        59  25 .
PE9      PE9 'PENTAN-1-OL                         ' non-polymer        18   6 .
PEA      PEA '2-PHENYLETHYLAMINE                  ' non-polymer        21   9 .
PEB      PEB 'PHYCOERYTHROBILIN                   ' non-polymer        81  43 .
PEC      PEC 'S,S-PENTYLTHIOCYSTEINE              ' peptide            29  13 .
PED      PED 'PENTANE-3,4-DIOL-5-PHOSPHATE        ' non-polymer        23  12 .
PEE      PEE 'PHOSPHATIDYLETHANOLAMINE            ' non-polymer       133  51 .
PEF      PEF 'DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANO' non-polymer       120  47 .
PEG      PEG 'DI(HYDROXYETHYL)ETHER               ' non-polymer        17   7 .
PEH      PEH 'DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOL' non-polymer       132  51 .
PEJ      PEJ 'PERIODATE                           ' non-polymer         5   5 .
PEK      PEK '"(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PH' non-polymer       130  53 .
PEL      PEL '2-PHENYL-ETHANOL                    ' non-polymer        19   9 .
PEM      PEM '2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHEN' non-polymer        44  25 .
PEO      PEO 'HYDROGEN PEROXIDE                   ' non-polymer         4   2 .
PEP      PEP 'PHOSPHOENOLPYRUVATE                 ' non-polymer        12  10 .
PEQ      PEQ 'L-PHOSPHOLACTATE                    ' non-polymer        14  10 .
PER      PER 'PEROXIDE ION                        ' non-polymer         2   2 .
PET      PET '1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTA' non-polymer        47  25 .
PEU      PEU '2,5,8,11,14,17,20,23,26,29,32,35,38,' non-polymer       195  83 .
PEV      PEV '"(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PH' non-polymer       126  49 .
PEW      PEW '"(1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PH' non-polymer       126  51 .
PEX      PEX '1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOE' non-polymer        84  35 .
PEY      PEY 'PHENANTHRENE                        ' non-polymer        24  14 .
PEZ      PEZ '2-(PHOSPHONOOXY)BUTANOIC ACID       ' non-polymer        17  11 .
PF1      PF1 'N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        29  15 .
PF2      PF2 '2-(4-{(3S,5S)-5-[(3,3-difluoropyrrol' non-polymer        50  26 .
PF3      PF3 '"(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-' non-polymer        50  31 .
PF4      PF4 '4,5-bis(4-methoxyphenyl)-2-thiophen-' non-polymer        44  26 .
PF5      PF5 '2,3,4,5,6-PENTAFLUORO-L-PHENYLALANIN' peptide            22  17 .
PF6      PF6 '2-({4-[4-(pyridin-4-ylmethyl)-1H-pyr' non-polymer        50  30 .
PF7      PF7 '4-(quinolin-3-ylmethyl)piperidine-1-' non-polymer        38  20 .
PF8      PF8 '2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-y' non-polymer        47  29 .
PF9      PF9 '2-{[4-(1-methyl-4-pyridin-4-yl-1H-py' non-polymer        50  30 .
PFA      PFA '[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3' non-polymer        48  27 .
PFB      PFB '2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL ' non-polymer        16  13 .
PFC      PFC 'PHENYLFERRICROCIN-IRON              ' non-polymer       104  56 .
PFD      PFD '5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHEN' non-polymer        48  29 .
PFE      PFE '{4-[3-(6,7-DIETHOXY-QUINAZOLIN-4-YLA' non-polymer        52  30 .
PFF      PFF '4-FLUORO-L-PHENYLALANINE            ' peptide            22  13 .
PFG      PFG '10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLU' non-polymer       101  62 .
PFH      PFH '6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLO' non-polymer        53  30 .
PFI      PFI '(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-' non-polymer        53  26 .
PFJ      PFJ '6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-' non-polymer        51  30 .
PFL      PFL '2,6-BIS(1-METHYLETHYL)PHENOL        ' non-polymer        31  13 .
PFM      PFM '1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOS' non-polymer        41  25 .
PFN      PFN 'FENOPROFEN                          ' non-polymer        31  18 .
PFP      PFP '2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2' non-polymer        50  29 .
PFQ      PFQ '2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN' non-polymer        42  25 .
PFS      PFS '1-O-OCTADECYL-2-ACETYL-SN-GLYCEROL-3' non-polymer        89  35 .
PFT      PFT '4-(1,3-dihydro-2H-isoindol-2-ylcarbo' non-polymer        32  19 .
PFU      PFU '(1S)-1,4-anhydro-1-(5-carbamoyl-4-hy' non-polymer        34  22 .
PFX      PFX '(2S)-1-({2-[2-(carboxymethoxy)ethoxy' non-polymer        49  26 .
PFY      PFY '(3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL' non-polymer        77  43 .
PFZ      PFZ '1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DI' non-polymer        44  22 .
PG0      PG0 '2-(2-METHOXYETHOXY)ETHANOL          ' non-polymer        20   8 .
PG1      PG1 'PENICILLIN G ACYL-SERINE            ' peptide            53  30 .
PG2      PG2 'PROSTAGLANDIN D2                    ' non-polymer        56  25 .
PG3      PG3 'GUANIDINE-3-PROPANOL                ' non-polymer        20   8 .
PG4      PG4 'TETRAETHYLENE GLYCOL                ' non-polymer        31  13 .
PG5      PG5 '1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ET' non-polymer        30  12 .
PG6      PG6 '1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METH' non-polymer        44  18 .
PG8      PG8 '1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO' non-polymer        75  33 .
PG9      PG9 'D-PHENYLGLYCINE                     ' peptide            19  11 .
PGA      PGA '2-PHOSPHOGLYCOLIC ACID              ' non-polymer        11   9 .
PGD      PGD '"2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7' non-polymer        69  47 .
PGE      PGE 'TRIETHYLENE GLYCOL                  ' non-polymer        24  10 .
PGF      PGF '2,5,8,11-TETRAOXATRIDECANE          ' non-polymer        33  13 .
PGG      PGG 'PARA-NITROPHENYLPHOSPHONOBUTANOYL-GL' non-polymer        37  23 .
PGH      PGH 'PHOSPHOGLYCOLOHYDROXAMIC ACID       ' non-polymer        14  10 .
PGI      PGI '(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2' non-polymer        43  22 .
PGJ      PGJ '2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-' non-polymer        49  31 .
PGK      PGK '"(1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL' non-polymer       129  53 .
PGL      PGL '(aminomethyl)phosphonic acid        ' non-polymer        12   6 .
PGM      PGM '1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[' non-polymer        76  32 .
PGN      PGN '2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE ' DNA                38  27 .
PGO      PGO 'S-1,2-PROPANEDIOL                   ' non-polymer        13   5 .
PGP      PGP 'GUANOSINE-3',5'-DIPHOSPHATE         ' RNA                39  28 .
PGR      PGR 'R-1,2-PROPANEDIOL                   ' non-polymer        13   5 .
PGS      PGS '.                                   ' non-polymer        40  27 .
PGT      PGT '"(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL' non-polymer       129  51 .
PGU      PGU '"N-({3-hydroxy-2-methyl-5-[(phosphon' non-polymer        40  25 .
PGV      PGV '"(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL' non-polymer       127  51 .
PGW      PGW '"(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypr' non-polymer       127  51 .
PGX      PGX '"7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3' non-polymer        57  26 .
PH0      PH0 'N-{(2S)-3-[(R)-[(1R)-1-amino-2-pheny' non-polymer        65  35 .
PH1      PH1 '1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADE' non-polymer       133  45 .
PH2      PH2 '2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-' non-polymer        23  14 .
PH3      PH3 'N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE' non-polymer        20  12 .
PH4      PH4 '3-{hydroxy[(phosphonooxy)acetyl]amin' non-polymer        27  18 .
PH5      PH5 '2-PHENYL-PROP5AC                    ' non-polymer        55  29 .
PH7      PH7 '(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOP' non-polymer        43  28 .
PH9      PH9 '"(2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]' non-polymer        59  32 .
PHA      PHA 'PHENYLALANINAL                      ' non-polymer        22  11 .
PHB      PHB 'P-HYDROXYBENZOIC ACID               ' non-polymer        15  10 .
PHC      PHC 'N-METHYL-N-(METHYLBENZYL)FORMAMIDE  ' non-polymer        25  12 .
PHD      PHD 'ASPARTYL PHOSPHATE                  ' peptide            18  13 .
PHE      PHE 'PHENYLALANINE                       ' peptide            20  11 .
PHF      PHF 'HF-OXO-PHOSPHATE CLUSTER PHF        ' non-polymer        40  29 .
PHG      PHG 'PHENYLMERCURY                       ' non-polymer        12   7 .
PHH      PHH '4,5,6,7-TETRACHLORO-PHTHALIDE       ' non-polymer        16  14 .
PHI      PHI 'IODO-PHENYLALANINE                  ' peptide            22  13 .
PHJ      PHJ 'N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE' non-polymer        19  11 .
PHK      PHK '(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BU' non-polymer        27  13 .
PHL      PHL 'L-PHENYLALANINOL                    ' non-polymer        24  11 .
PHM      PHM '(3S)-3-amino-1-chloro-4-phenylbutan-' non-polymer        25  13 .
PHN      PHN '1,10-PHENANTHROLINE                 ' non-polymer        22  14 .
PHO      PHO 'PHEOPHYTIN A                        ' non-polymer       138  64 .
PHP      PHP '(2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMI' non-polymer       106  55 .
PHQ      PHQ 'benzyl chlorocarbonate              ' non-polymer        18  11 .
PHR      PHR '3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-' non-polymer        57  32 .
PHS      PHS 'PHOSPHONIC ACID                     ' non-polymer         7   4 .
PHT      PHT 'PHTHALIC ACID                       ' non-polymer        16  12 .
PHW      PHW '"BETA-PHENYL-N-{[(PHENYLMETHYL)OXY]C' non-polymer        99  53 .
PHX      PHX '4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4' non-polymer        31  20 .
PHY      PHY '1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHO' non-polymer        28  16 .
PHZ      PHZ '1-PHENYLHYDRAZINE                   ' non-polymer        16   8 .
PI0      PI0 '(2S)-N-[(4-carbamimidoylphenyl)methy' non-polymer        74  38 .
PI1      PI1 '.                                   ' non-polymer       102  49 .
PI2      PI2 '"2-{11-[1-HYDROXY-2-(3-METHYL-BUTYLA' non-polymer        68  32 .
PI3      PI3 '"11-[1-HYDROXY-2-(3-METHYL-BUTYLAMIN' non-polymer        70  31 .
PI4      PI4 '"1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2' non-polymer        82  39 .
PI5      PI5 '"N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-' non-polymer       102  49 .
PI6      PI6 '"[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO' non-polymer        91  43 .
PI7      PI7 '"N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-' non-polymer       101  48 .
PI8      PI8 '"N-13-[(10S,13S)-9,12-DIOXO-10-(2-BU' non-polymer       105  51 .
PI9      PI9 '.                                   ' non-polymer        91  43 .
PIA      PIA '{2-(1-AMINOETHYL)-4-[(4-HYDROXYPHENY' non-polymer        35  21 .
PIB      PIB '"2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4' non-polymer        64  35 .
PIC      PIC '6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTH' non-polymer        28  20 .
PI       PI  'HYDROGENPHOSPHATE ION               ' non-polymer         5   5 .
PID      PID 'PERIDININ                           ' non-polymer        96  46 .
PIE      PIE '1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSI' non-polymer       137  57 .
PIF      PIF '"(2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,' non-polymer        88  43 .
PIH      PIH 'IODOPHENYL                          ' non-polymer        12   7 .
PII      PII '"2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,' non-polymer       136  56 .
PIL      PIL '3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPY' non-polymer        43  25 .
PIM      PIM '4-PHENYL-1H-IMIDAZOLE               ' non-polymer        19  11 .
PIN      PIN '.                                   ' non-polymer        36  18 .
PIO      PIO '"L-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4' non-polymer        91  47 .
PIP      PIP 'PIPERIDINE                          ' non-polymer        17   6 .
PIQ      PIQ '2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5' non-polymer        29  17 .
PIR      PIR '2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-P' non-polymer        32  16 .
PIS      PIS 'TRIHYDROGEN THIODIPHOSPHATE         ' non-polymer        10   9 .
PIT      PIT 'PICEATANNOL                         ' non-polymer        30  18 .
PIU      PIU '1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}' non-polymer        42  21 .
PIV      PIV 'PIVALIC ACID                        ' non-polymer        16   7 .
PIW      PIW '1-phenyl-1H-imidazole               ' non-polymer        19  11 .
PIX      PIX '4-(3-{[5-(trifluoromethyl)pyridin-2-' non-polymer        46  27 .
PIY      PIY '2-phenyl-1H-imidazole               ' non-polymer        19  11 .
PJ2      PJ2 '(5Z,12Z,15S)-15-hydroxy-11-oxoprosta' non-polymer        53  24 .
PK2      PK2 '6-amino-4-{2-[(cyclohexylmethyl)amin' non-polymer        54  27 .
PK3      PK3 '6-amino-4-(2-hydroxyethyl)-2-(methyl' non-polymer        34  20 .
PKF      PKF 'CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-' non-polymer       104  52 .
PKR      PKR '(2S)-1-methylpyrrolidine-2-carbaldeh' non-polymer        19   9 .
PL0      PL0 '1-phenylguanidine                   ' non-polymer        19  10 .
PL1      PL1 'COBALT (III)-DEGLYCOPEPLEOMYCIN     ' non-polymer       148  80 .
PL2      PL2 '"(4-{[(4-{[AMINO(IMINO)METHYL]AMINO}' non-polymer        46  24 .
PL3      PL3 'HEXADECAN-1-OL                      ' non-polymer        51  17 .
PL4      PL4 '"(2S,6S)-2-amino-6-[({3-hydroxy-2-me' non-polymer        48  28 .
PL5      PL5 '"(2S,6S)-2-amino-6-{[(1E)-{3-hydroxy' non-polymer        46  28 .
PL6      PL6 '"(E)-N-({3-hydroxy-2-methyl-5-[(phos' non-polymer        38  25 .
PL7      PL7 '(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYA' non-polymer        42  27 .
PL9      PL9 '2,3-DIMETHYL-5-(3,7,11,15,19,23,27,3' non-polymer       135  55 .
PLA      PLA '"2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOO' non-polymer        40  25 .
PLB      PLB '2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PY' non-polymer        37  27 .
PLC      PLC 'DIUNDECYL PHOSPHATIDYL CHOLINE      ' non-polymer       106  42 .
PLD      PLD 'DIUNDECYL PHOSPHATIDYL CHOLINE      ' non-polymer       160  60 .
PLE      PLE '[(1R)-1-amino-3-methylbutyl]phosphon' non-polymer        24  10 .
PLG      PLG 'N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOS' non-polymer        32  20 .
PLH      PLH 'METHYLAMINO-PHENYLALANYL-LEUCYL-HYDR' non-polymer        52  25 .
PLI      PLI '"(2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-' non-polymer        33  21 .
PLL      PLL 'Palladium(II) allyl complex         ' non-polymer         9   4 .
PLM      PLM 'PALMITIC ACID                       ' non-polymer        49  18 .
PLO      PLO '(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE  ' non-polymer        55  23 .
PLP      PLP 'PYRIDOXAL-5'-PHOSPHATE              ' non-polymer        24  16 .
PLQ      PLQ '1,4-benzoquinone                    ' non-polymer        12   8 .
PLR      PLR '(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)' non-polymer        25  15 .
PLS      PLS '[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYME' non-polymer        36  22 .
PLT      PLT '[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYME' non-polymer        47  30 .
PLU      PLU 'LEUCINE PHOSPHONIC ACID             ' non-polymer        24  10 .
PLV      PLV 'N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONO' non-polymer        39  23 .
PLX      PLX '(9R,11S)-9-({[(1S)-1-HYDROXYHEXADECY' non-polymer       140  52 .
PLZ      PLZ '"4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHO' non-polymer        38  22 .
PM1      PM1 '[2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IM' non-polymer        41  28 .
PM2      PM2 '1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3' non-polymer        59  30 .
PM3      PM3 '2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)' peptide            30  17 .
PM4      PM4 '"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXI' non-polymer        61  28 .
PM5      PM5 '"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXI' non-polymer        64  29 .
PM6      PM6 '9H-purine-6-thiol                   ' non-polymer        14  10 .
PM8      PM8 '"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXI' non-polymer        73  32 .
PM9      PM9 '"(2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-' non-polymer        40  24 .
PMA      PMA 'PYROMELLITIC ACID                   ' non-polymer        20  18 .
PMB      PMB 'PARA-MERCURY-BENZENESULFONIC ACID   ' non-polymer        16  11 .
PMC      PMC '3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOX' non-polymer        21  14 .
PMD      PMD '[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL' non-polymer        45  28 .
PME      PME 'N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1' non-polymer        38  21 .
PMG      PMG '"N-({3-HYDROXY-2-METHYL-5-[(PHOSPHON' non-polymer        43  26 .
PMH      PMH '"(5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4' non-polymer        34  22 .
PMI      PMI '(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)P' non-polymer        26  14 .
PML      PML 'PIMELIC ACID                        ' non-polymer        21  11 .
PMM      PMM 'PTERIN-6-YL-METHYL-MONOPHOSPHATE    ' non-polymer        24  18 .
PMN      PMN 'PLATENSIMYCIN                       ' non-polymer        58  32 .
PMO      PMO 'N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METH' non-polymer        39  24 .
PMP      PMP '4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPH' non-polymer        27  16 .
PMR      PMR 'Protochlorophyllide                 ' non-polymer        76  45 .
PMS      PMS 'phenylmethanesulfonic acid          ' non-polymer        19  11 .
PMT      PMT '"PHOSPHORIC ACID MONO-[3-(3-{[5-(4-A' non-polymer        66  39 .
PMV      PMV '(3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONO' non-polymer        24  14 .
PMY      PMY 'AGLYCON OF PEPLOMYCIN               ' non-polymer       144  77 .
PMZ      PMZ '1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-P' non-polymer        45  23 .
PN1      PN1 '"(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLET' non-polymer        42  24 .
PN2      PN2 '.                                   ' non-polymer        52  27 .
PN5      PN5 '"(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4' non-polymer        54  24 .
PNA      PNA '4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSI' pyranose           36  21 .
PNB      PNB '4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYC' non-polymer        40  24 .
PNC      PNC 'PARA-NITROBENZYL GLUTARYL GLYCINIC A' non-polymer        39  23 .
PND      PND 'P-NITROPHENYLHYDRAZINE              ' non-polymer        18  11 .
PNE      PNE 'PARA-NITROPHENYL PHOSPHONOBUTANOYL L' non-polymer        40  24 .
PNF      PNF '6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOS' non-polymer        49  27 .
PNG      PNG '4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSI' pyranose           36  21 .
PNH      PNH 'pentan-2-one                        ' non-polymer        16   6 .
PNI      PNI 'TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NI' non-polymer        89  53 .
PNJ      PNJ 'PNP-BETA-D-GLUCOSAMINE              ' non-polymer        38  21 .
PNK      PNK '"(2R,4S)-2-{(R)-carboxy[(phenylacety' non-polymer        42  24 .
PNM      PNM 'OPEN FORM - PENICILLIN G            ' non-polymer        42  23 .
PNN      PNN 'PENICILLIN G                        ' non-polymer        40  23 .
PNO      PNO 'P-METHYL AMINOPHOSPHINIC ACID       ' non-polymer        11   5 .
PNP      PNP 'METHYL-PHOSPHONIC ACID MONO-(4-NITRO' non-polymer        22  14 .
PNQ      PNQ 'P-NITROPHENYL AMINOETHYLDIPHOSPHATE ' non-polymer        34  25 .
PNS      PNS '4'-PHOSPHOPANTETHEINE               ' non-polymer        43  22 .
PNT      PNT '1,5-BIS(4-AMIDINOPHENOXY)PENTANE    ' non-polymer        49  25 .
PNU      PNU '6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-Y' non-polymer        31  20 .
PNV      PNV '"(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-' non-polymer        41  24 .
PNW      PNW '4-nitrophenyl beta-D-glucopyranoside' pyranose           36  21 .
PNX      PNX '3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHY' non-polymer        38  20 .
PNZ      PNZ 'P-NITRO-BENZYLAMINE                 ' non-polymer        19  11 .
PO0      PO0 '1-BENZYL-(R)-PROPYLAMINE            ' non-polymer        26  11 .
PO1      PO1 '"(9BETA,13ALPHA,14BETA,17ALPHA)-2-ME' non-polymer        58  30 .
PO2      PO2 'HYPOPHOSPHITE                       ' non-polymer         3   3 .
PO3      PO3 'PHOSPHITE ION                       ' non-polymer         4   4 .
PO4      PO4 'PHOSPHATE ION                       ' non-polymer         5   5 .
PO5      PO5 '(2S)-1-(dimethylamino)-3-(4-{[4-(6-m' non-polymer        66  36 .
POA      POA 'PHOSPHONOACETALDEHYDE               ' non-polymer        12   7 .
POB      POB '2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHI' non-polymer        29  17 .
POD      POD '"9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL' non-polymer        52  30 .
POF      POF '"(4aS,4bR,10bS,12aS)-12a-methyl-1,3-' non-polymer        60  33 .
POG      POG '(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,' non-polymer        73  29 .
POH      POH '5,10,15,20-TETRA-(4-N-METHYLPYRIDYL)' non-polymer       108  52 .
POI      POI 'N~2~-ACETYL-N~5~-({3-HYDROXY-2-METHY' non-polymer        48  27 .
POL      POL 'N-PROPANOL                          ' non-polymer        12   4 .
POM      POM 'CIS-5-METHYL-4-OXOPROLINE           ' P-peptide          18  10 .
PON      PON 'IMIDO DIPHOSPHATE                   ' non-polymer        11   9 .
POO      POO '"3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYL' non-polymer        75  37 .
POP      POP 'PYROPHOSPHATE 2-                    ' non-polymer         9   9 .
POQ      POQ '"BIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHO' non-polymer        69  39 .
POR      POR 'PORPHYRIN FE(III)                   ' non-polymer        37  25 .
POS      POS '1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]' non-polymer        70  38 .
POT      POT '(1S)-1-(PHENOXYMETHYL)PROPYL METHYLP' non-polymer        32  16 .
POV      POV '"(2S)-3-(hexadecanoyloxy)-2-[(9Z)-oc' non-polymer       134  52 .
POX      POX '"4-amino-6-{[1-(3-fluorobenzyl)-1H-i' non-polymer        54  32 .
POZ      POZ '.                                   ' non-polymer        93  51 .
PP0      PP0 '"ethyl 4-[(4-benzylpiperazin-1-yl)ca' non-polymer        60  29 .
PP1      PP1 '1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,' non-polymer        40  21 .
PP2      PP2 '1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-' non-polymer        38  21 .
PP3      PP3 'ALANYL-PYRIDOXAL-5'-PHOSPHATE       ' non-polymer        35  21 .
PP4      PP4 '"METHYL (2S)-[1-((N-FORMYL)-L-VALYL)' non-polymer        70  38 .
PP5      PP5 '"METHYL (2S)-[1-((N-(NAPHTHALENEACET' non-polymer        70  38 .
PP6      PP6 'METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)' non-polymer        71  39 .
PP7      PP7 '"METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-' non-polymer        91  44 .
PP8      PP8 '"2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-V' non-polymer        90  43 .
PP9      PP9 'PROTOPORPHYRIN IX                   ' non-polymer        74  42 .
PPB      PPB '"1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-' non-polymer        59  32 .
PPC      PPC '5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) ' non-polymer        35  22 .
PPD      PPD '"2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOO' non-polymer        37  24 .
PPE      PPE '4-[(1,3-DICARBOXY-PROPYLAMINO)-METHY' non-polymer        41  25 .
PPF      PPF 'PHOSPHONOFORMIC ACID                ' non-polymer        10   7 .
PPG      PPG '"4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-2-' non-polymer        45  26 .
PPH      PPH '[(1R)-1-amino-2-phenylethyl]phosphon' non-polymer        25  13 .
PPI      PPI 'PROPANOIC ACID                      ' non-polymer        10   5 .
PPJ      PPJ 'N-(HYDROXY{3-HYDROXY-2-METHYL-5-[(PH' non-polymer        40  24 .
PPK      PPK '(DIPHOSPHONO)AMINOPHOSPHONIC ACID   ' non-polymer        17  13 .
PPL      PPL 'PIPERIDINE-2-CARBOXYLIC ACID TERT-BU' non-polymer        33  13 .
PPN      PPN 'PARA-NITROPHENYLALANINE             ' peptide            24  15 .
PPO      PPO '3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL    ' non-polymer        14  10 .
PPP      PPP '3-PHENYL-1,2-PROPANDIOL             ' non-polymer        23  11 .
PPQ      PPQ 'PHOSPHINOTHRICIN                    ' non-polymer        22  11 .
PPR      PPR 'PHOSPHONOPYRUVATE                   ' non-polymer        14  10 .
PPS      PPS '.                                   ' non-polymer        43  31 .
PPT      PPT '3-(P-TOLYL)PROPIONIC ACID           ' non-polymer        23  12 .
PPU      PPU 'PUROMYCIN-5'-MONOPHOSPHATE          ' non-polymer        66  38 .
PPV      PPV 'PYROPHOSPHATE                       ' non-polymer         9   9 .
PPW      PPW '7-DEAZA-8-AZA-2'-DEOXYGUANOSINE-5'-M' DNA                35  23 .
PPX      PPX '[PHENYLALANINYL-PROLINYL]-[2-(PYRIDI' non-polymer        55  28 .
PPY      PPY '3-PHENYLPYRUVIC ACID                ' non-polymer        19  12 .
PPZ      PPZ '2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETH' non-polymer        28  17 .
PQ0      PQ0 '2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO' non-polymer        18  13 .
PQ1      PQ1 '"PHOSPHORIC ACID MONO-[5-(2-AMINO-5-' RNA                42  26 .
PQ9      PQ9 '5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15' non-polymer       109  45 .
PQA      PQA '[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZ' non-polymer        49  28 .
PQB      PQB '[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZ' non-polymer        45  27 .
PQE      PQE '3,6,12,15,18,21,24-HEPTAOXAHEXATRIAC' non-polymer        97  37 .
PQN      PQN 'PHYLLOQUINONE                       ' non-polymer        79  33 .
PQQ      PQQ 'PYRROLOQUINOLINE QUINONE            ' non-polymer        27  24 .
PR0      PR0 '3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL   ' non-polymer        27  12 .
PR1      PR1 '4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]P' non-polymer        49  30 .
PR2      PR2 '"THIENO[3,2-B]PYRIDINE-2-SULFONIC AC' non-polymer        46  29 .
PR3      PR3 'S,S-PROPYLTHIOCYSTEINE              ' non-polymer        23  10 .
PR8      PR8 '5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2' non-polymer        50  30 .
PR9      PR9 'D-PROLINAMIDE                       ' non-polymer        18   8 .
PRA      PRA '3-PHENYLPROPYLAMINE                 ' non-polymer        24  10 .
PRB      PRB '13-ACETYLPHORBOL                    ' non-polymer        59  29 .
PRC      PRC 'N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PY' non-polymer        47  29 .
PR       PR  'PRASEODYMIUM ION                    ' non-polymer         1   1 .
PRD      PRD 'N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-' non-polymer        45  25 .
PRE      PRE 'PREPHENIC ACID                      ' non-polymer        24  16 .
PRF      PRF '7-DEAZA-7-AMINOMETHYL-GUANINE       ' non-polymer        22  13 .
PRH      PRH '6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOS' non-polymer        34  19 .
PRI      PRI 'PYRROLIDINE-2-CARBALDEHYDE          ' non-polymer        16   7 .
PRK      PRK 'N~6~-propanoyl-L-lysine             ' peptide            31  14 .
PRL      PRL 'PROFLAVIN                           ' non-polymer        27  16 .
PRM      PRM '3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONI' non-polymer        65  31 .
PRN      PRN '.                                   ' DNA                32  21 .
PRO      PRO 'PROLINE                             ' peptide            14   7 .
PRP      PRP 'ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC A' non-polymer        30  22 .
PRQ      PRQ '(3S)-3-amino-3-(2-nitrophenyl)propan' non-polymer        24  15 .
PRR      PRR '3-(METHYL-PYRIDINIUM)ALANINE        ' peptide            25  13 .
PRS      PRS 'THIOPROLINE                         ' non-polymer        14   8 .
PRT      PRT 'PHOSPHORIBOSYL ATP                  ' non-polymer        63  44 .
PRV      PRV '(2R)-amino(2-nitrophenyl)ethanoic ac' peptide            21  14 .
PRW      PRW '(2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOI' non-polymer        17   9 .
PRX      PRX '.                                   ' non-polymer        45  26 .
PRY      PRY '2-PROPYL-ANILINE                    ' non-polymer        23  10 .
PRZ      PRZ '2-ISOBUTYL-3-METHOXYPYRAZINE        ' non-polymer        26  12 .
PS0      PS0 '3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL   ' non-polymer        27  12 .
PS1      PS1 '1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO' non-polymer        86  38 .
PS2      PS2 'O-[{[(2R)-2-{[(9S,10S)-9,10-DIBROMOO' non-polymer       128  54 .
PS4      PS4 'N-({(2S)-1-[(3R)-3-amino-4-(3-chloro' non-polymer        60  32 .
PS5      PS5 'PENTASULFIDE-SULFUR                 ' non-polymer         5   5 .
PS6      PS6 'O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tet' non-polymer        86  38 .
PS9      PS9 'octathiocane                        ' non-polymer         8   8 .
PSA      PSA '3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ' non-polymer        29  15 .
PSB      PSB '3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO' non-polymer        57  36 .
PSC      PSC '"(7R,17E,20E)-4-HYDROXY-N,N,N-TRIMET' non-polymer       132  52 .
PSD      PSD '5'-O-[N-(PROLYL)-SULFAMOYL]ADENOSINE' non-polymer        52  30 .
PSE      PSE 'O-PHOSPHOETHANOLAMINE               ' non-polymer        18  10 .
PSF      PSF '1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERI' non-polymer        62  30 .
PSG      PSG 'PARA-NITROPHENYL 1-THIO-BETA-D-GLUCO' non-polymer        36  21 .
PSH      PSH '1-thiophosphono-L-histidine         ' peptide            24  15 .
PSI      PSI '"(2S,5S,8R,10S,11S,14R,17R)-8,17-dia' non-polymer        88  41 .
PSJ      PSJ 'D-psicose                           ' non-polymer        24  12 .
PSK      PSK '[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEX' non-polymer        27  12 .
PSL      PSL 'PYROSULFATE                         ' non-polymer         9   9 .
PSM      PSM 'N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFA' non-polymer        65  32 .
PSN      PSN 'BENZYL 2-FORMYLPHENYL HYDROGEN PHOSP' non-polymer        32  20 .
PSO      PSO '4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSO' non-polymer        33  19 .
PSP      PSP '1,3-PROPYLENE-BIS-N,N'-SYN-4-PYRIDIN' non-polymer        39  21 .
PSQ      PSQ 'NDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-' non-polymer        31  17 .
PSR      PSR '"THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY' non-polymer        54  27 .
PSS      PSS '(2S)-2-[(3R)-3-benzyl-2-oxopiperazin' non-polymer        45  22 .
PST      PST 'THYMIDINE-5'-THIOPHOSPHATE          ' non-polymer        36  21 .
PSU      PSU 'PSEUDOURIDINE-5'-MONOPHOSPHATE      ' RNA                32  21 .
PSV      PSV 'alpha-D-psicofuranose               ' non-polymer        24  12 .
PSW      PSW '3-(SULFANYLSELANYL)-L-ALANINE       ' peptide            14   8 .
PSX      PSX '[(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHE' non-polymer        30  13 .
PSY      PSY 'phenyl ethenesulfonate              ' non-polymer        20  12 .
PSZ      PSZ '"4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHO' non-polymer        36  24 .
PT1      PT1 'PTEROIC ACID                        ' non-polymer        34  23 .
PT2      PT2 '"[ethane-1,2-diaminato(2-)-kappa~2~N' non-polymer        33  19 .
PT3      PT3 'N-PROPYL-TARTRAMIC ACID             ' non-polymer        25  13 .
PT4      PT4 'PLATINUM (IV) ION                   ' non-polymer         1   1 .
PT5      PT5 '"(1S)-2-{[(R)-hydroxy{[(1R,2R,3S,4R,' non-polymer       149  69 .
PTA      PTA '[(1-AMINO-3-METHYL-BUTYL)-HYDROXY-PH' non-polymer        28  13 .
PTB      PTB '(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)[' non-polymer        33  16 .
PTC      PTC '2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-' non-polymer        32  21 .
PT       PT  'PLATINUM (II) ION                   ' non-polymer         1   1 .
PTD      PTD 'PENTANEDIAL                         ' non-polymer        15   7 .
PTE      PTE 'TUNGSTOPTERIN COFACTOR              ' non-polymer        79  52 .
PTF      PTF '[(METHYLSULFANYL)METHYL]BENZENE     ' non-polymer        19   9 .
PTG      PTG '(5E,14E)-11-oxoprosta-5,9,12,14-tetr' non-polymer        50  23 .
PTH      PTH 'CE1-METHYLENE-HYDROXY-PHOSPHOTYROSIN' peptide            30  19 .
PTI      PTI '2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHO' non-polymer        64  32 .
PTK      PTK 'pyrene-1,3,6,8-tetrasulfonic acid   ' non-polymer        42  32 .
PTL      PTL 'PENTANAL                            ' non-polymer        16   6 .
PTM      PTM 'ALPHA-METHYL-O-PHOSPHOTYROSINE      ' peptide            29  18 .
PTN      PTN 'PLATINUM TRIAMINE ION               ' non-polymer        13   4 .
PTO      PTO 'PSEUDOTROPINE                       ' non-polymer        25  10 .
PTR      PTR 'O-PHOSPHOTYROSINE                   ' peptide            26  17 .
PTS      PTS '"(4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-' non-polymer        29  17 .
PTT      PTT 'TUNGSTOPTERIN                       ' non-polymer        75  52 .
PTU      PTU '2-ETHYL-1-PHENYL-ISOTHIOUREA        ' non-polymer        24  12 .
PTX      PTX '"{[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)' non-polymer        29  18 .
PTY      PTY 'PHOSPHATIDYLETHANOLAMINE            ' non-polymer       129  50 .
PU0      PU0 '9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-F' non-polymer        48  26 .
PU1      PU1 '8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)' non-polymer        51  30 .
PU2      PU2 '8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H' non-polymer        36  22 .
PU3      PU3 '9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9' non-polymer        52  27 .
PU4      PU4 '9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN' non-polymer        44  23 .
PU5      PU5 '9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN' non-polymer        44  23 .
PU6      PU6 '8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUT' non-polymer        43  24 .
PU7      PU7 '9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-' non-polymer        48  25 .
PU8      PU8 '9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY' non-polymer        52  28 .
PU9      PU9 '8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)' non-polymer        51  29 .
PUA      PUA 'ADENYLATE-3'-PHOSPHATE-[[2'-DEOXY-UR' non-polymer        71  50 .
PUB      PUB 'PHYCOUROBILIN                       ' non-polymer        83  43 .
PU       PU  'PUROMYCIN-N-AMINOPHOSPHONIC ACID    ' non-polymer        68  38 .
PUG      PUG '3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-' non-polymer        35  21 .
PUL      PUL '.                                   ' non-polymer       126  60 .
PUR      PUR 'PURINE RIBOSIDE                     ' non-polymer        31  18 .
PUT      PUT '1,4-DIAMINOBUTANE                   ' non-polymer        18   6 .
PUX      PUX '8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUT' non-polymer        43  25 .
PUY      PUY 'PUROMYCIN                           ' non-polymer        63  34 .
PUZ      PUZ '8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-' non-polymer        47  27 .
PVA      PVA '1-AMINO-2-METHYL-PROPYLPHOSPHONIC AC' non-polymer        21   9 .
PVB      PVB 'PURVALANOL B                        ' non-polymer        54  30 .
PVC      PVC '(2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(P' non-polymer        69  30 .
PVD      PVD '.                                   ' non-polymer       178  94 .
PVE      PVE '(1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOY' non-polymer        43  27 .
PVH      PVH 'HISTIDINE-METHYL-ESTER              ' non-polymer        24  12 .
PVN      PVN 'PHYCOVIOLOBILIN                     ' non-polymer        82  44 .
PVS      PVS '(ethenylsulfonyl)benzene            ' non-polymer        19  11 .
PX1      PX1 '(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-' non-polymer        36  23 .
PX2      PX2 '1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE' non-polymer        87  36 .
PX4      PX4 '1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHO' non-polymer       118  46 .
PX5      PX5 '4-(1,3-benzothiazol-2-yl)-4-hydroxyc' non-polymer        26  17 .
PX6      PX6 '1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHA' non-polymer       111  44 .
PX8      PX8 '1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHAT' non-polymer       123  48 .
PXA      PXA '2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-' non-polymer        33  22 .
PXB      PXB 'parecoxib                           ' non-polymer        44  26 .
PXC      PXC 'phenazine-1,6-dicarboxylic acid     ' non-polymer        26  20 .
PXF      PXF '2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-' non-polymer        34  23 .
PXG      PXG '3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZ' non-polymer        39  25 .
PXI      PXI '4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-ME' non-polymer        75  32 .
PXL      PXL '3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYL' non-polymer        21  12 .
PXM      PXM '4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-' non-polymer        24  12 .
PXN      PXN '(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy' non-polymer        61  25 .
PXO      PXO '(1Z)-propanal oxime                 ' non-polymer        12   5 .
PXP      PXP 'PYRIDOXINE-5'-PHOSPHATE             ' non-polymer        26  16 .
PXS      PXS '(2S)-propane-1,2-diyl dihexadecanoat' non-polymer       107  39 .
PXT      PXT 'PECTENOTOXIN-2                      ' non-polymer       129  61 .
PXX      PXX 'N-1,10-phenanthrolin-5-ylacetamide  ' non-polymer        29  18 .
PXY      PXY 'PARA-XYLENE                         ' non-polymer        18   8 .
PXZ      PXZ '2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-' non-polymer        34  22 .
PY0      PY0 '(1S,2S)-1-amino-1,2-dihydroxypropan-' non-polymer        15   7 .
PY1      PY1 '4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QU' non-polymer        33  21 .
PY2      PY2 '3-(MERCAPTOMETHYLENE)PYRIDINE       ' non-polymer        15   8 .
PY3      PY3 '5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AM' non-polymer        88  48 .
PY4      PY4 '2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTY' non-polymer        38  22 .
PY5      PY5 '2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTA' non-polymer        41  23 .
PY6      PY6 '2-[O-PHOSPHONOPYRIDOXYL]-AMINO-HEXAN' non-polymer        44  24 .
PY7      PY7 'PYRIDIN-4-YLMETHANOL                ' non-polymer        15   8 .
PY8      PY8 '"6-BROMO-13-THIA-2,4,8,12,19-PENTAAZ' non-polymer        36  22 .
PY9      PY9 '4-{[(2R)-2-(2-methylphenyl)pyrrolidi' non-polymer        41  22 .
PYA      PYA '3-(1,10-PHENANTHROL-2-YL)-L-ALANINE ' peptide            32  20 .
PYB      PYB '4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYL' non-polymer        17  10 .
PYC      PYC 'PYRROLE-2-CARBOXYLATE               ' non-polymer        12   8 .
PYD      PYD '2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE    ' non-polymer        18   9 .
PYE      PYE 'TETRAHYDROPYRAN                     ' non-polymer        16   6 .
PYF      PYF '3-PYRIDINYLCARBINOL                 ' non-polymer        15   8 .
PYG      PYG 'BENZENE-1,2,3-TRIOL                 ' non-polymer        15   9 .
PYH      PYH 'N~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO-' non-polymer        38  18 .
PYI      PYI '1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        45  27 .
PYL      PYL 'PHENYLETHANE                        ' non-polymer        18   8 .
PYM      PYM 'PYRUVAMIDE                          ' non-polymer        11   6 .
PYN      PYN '3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN' non-polymer        67  34 .
PYO      PYO '1-(BETA-D-RIBOFURANOSYL)-PYRIMIDIN-2' RNA                31  20 .
PYP      PYP '2'-DEOXYRIBOFURANOSYLPYRENE-5'-MONOP' non-polymer        45  28 .
PYQ      PYQ 'PYROQUILON                          ' non-polymer        24  13 .
PYR      PYR 'PYRUVIC ACID                        ' non-polymer         9   6 .
PYS      PYS '2-PYRIDINETHIOL                     ' non-polymer        12   7 .
PYT      PYT '2-AMINOPROP-2-ENAMIDE               ' non-polymer        12   6 .
PYU      PYU '2-(1H-pyrrol-1-ylcarbonyl)benzene-1,' non-polymer        25  16 .
PYV      PYV '4-bromo-N-(pyridin-2-ylmethyl)naphth' non-polymer        35  22 .
PYX      PYX 'S-[S-THIOPYRIDOXAMINYL]CYSTEINE     ' peptide            35  19 .
PYY      PYY 'D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSP' non-polymer        32  19 .
PYZ      PYZ '4-IODOPYRAZOLE                      ' non-polymer         9   6 .
PZ1      PZ1 '(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DI' non-polymer        84  43 .
PZ2      PZ2 '3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyri' non-polymer        41  27 .
PZA      PZA 'PYRAZINE-2-CARBOXAMIDE              ' non-polymer        14   9 .
PZD      PZD '(11aS)-7,8-dimethoxy-2-naphthalen-2-' non-polymer        51  29 .
PZF      PZF '(3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)' non-polymer        47  29 .
PZI      PZI '2-(2-oxopyrrolidin-1-yl)acetamide   ' non-polymer        20  10 .
PZL      PZL '3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3' non-polymer        38  28 .
PZM      PZM '1-(4-METHOXYPHENYL)METHANAMINE      ' non-polymer        21  10 .
PZN      PZN '"3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FUR' non-polymer        85  41 .
PZO      PZO 'PYRAZOLE                            ' non-polymer         9   5 .
PZP      PZP '[5-hydroxy-4-(iminomethyl)-6-methyl-' non-polymer        25  16 .
PZQ      PZQ 'PRAZIQUANTEL                        ' non-polymer        47  23 .
PZZ      PZZ '3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDO' non-polymer        37  17 .
Q22      Q22 '(4aS)-5-[(2,4-diaminopteridin-6-yl)m' non-polymer        48  29 .
Q2Y      Q2Y '"4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLA' non-polymer        62  38 .
Q4A      Q4A 'N-(1-benzylpiperidin-4-yl)-6,7-dimet' non-polymer        74  36 .
Q50      Q50 '"{(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-' non-polymer        97  50 .
Q74      Q74 '"2-(3-((4,5,7-trifluorobenzo[d]thiaz' non-polymer        35  26 .
Q80      Q80 '2-({[(2R,4S)-2-[2-(4-chlorophenyl)et' non-polymer        53  32 .
Q82      Q82 '{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer        82  44 .
Q86      Q86 '4-phenyl-1-(1H-1,2,4-triazol-1-yl)bu' non-polymer        29  16 .
Q88      Q88 '9H-purine-6,8-diamine               ' non-polymer        17  11 .
QDS      QDS 'N-(quinoxalin-2-ylcarbonyl)-D-serine' non-polymer        29  19 .
QED      QED '"N,N'-{[(2-{[(2,3-dihydroxyphenyl)ca' non-polymer        68  40 .
QEI      QEI '2-amino-5-({[(1S,4S,5R)-4,5-dihydrox' non-polymer        35  20 .
QFI      QFI '"({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXA' non-polymer        86  45 .
QGA      QGA '1-[(3-CYCLOHEXYLPROPANOYL)(2-HYDROXY' non-polymer        58  25 .
QGG      QGG '1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)' non-polymer        41  26 .
QIC      QIC '(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycy' non-polymer        24  13 .
QIG      QIG 'N-1H-indazol-5-yl-2-(6-methylpyridin' non-polymer        43  27 .
QIN      QIN 'N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHY' non-polymer        71  34 .
QIX      QIX 'N~2~-[(2R)-4-(HYDROXYAMINO)-2-(2-NAP' non-polymer        73  39 .
QKH      QKH 'Methyl-cyclo-hepta-amylose          ' non-polymer       168  84 .
QL2      QL2 '6-[(3,5-difluorophenyl)amino]-9-ethy' non-polymer        32  22 .
QLG      QLG '"[(4Z)-2-[(1Z)-4-AMINO-4-OXOBUTANIMI' non-polymer        38  21 .
QLP      QLP 'N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPH' non-polymer        42  25 .
QMS      QMS 'N-(QUINOLIN-8-YL)METHANESULFONAMIDE ' non-polymer        25  15 .
QN1      QN1 '"4,4'-[(3S,4S)-pyrrolidine-3,4-diylb' non-polymer        84  53 .
QN2      QN2 'N,N'-(3S,4S)-pyrrolidine-3,4-diylbis' non-polymer        70  41 .
QN3      QN3 'N,N'-(3S,4S)-pyrrolidine-3,4-diylbis' non-polymer        70  41 .
QNC      QNC 'quinoline-2-carboxylic acid         ' non-polymer        19  13 .
QND      QND 'QUINALDIC ACID                      ' non-polymer        19  13 .
QNO      QNO '2-NONYL-4-HYDROXYQUINOLINE N-OXIDE  ' non-polymer        46  21 .
QPP      QPP 'N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENY' non-polymer        38  23 .
QPS      QPS 'BETA-ACARBOSE                       ' non-polymer        87  44 .
QPU      QPU '1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S' non-polymer        67  32 .
QQ1      QQ1 '2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMI' non-polymer        50  28 .
QQ2      QQ2 '[(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(' non-polymer        60  33 .
QQ3      QQ3 '"(3R)-3-(4-METHYL-1,3-DIOXO-1,3-DIHY' non-polymer        41  24 .
QQQ      QQQ '1-(1-methylethyl)-1H-benzimidazole-2' non-polymer        28  16 .
QSI      QSI '5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADE' non-polymer        54  32 .
QSO      QSO '5,7-dihydroxy-3-(4-methoxyphenyl)-4H' non-polymer        33  21 .
QUA      QUA '8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLIN' non-polymer        29  17 .
QUD      QUD '2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYC' non-polymer        72  35 .
QUE      QUE '3,5,7,3',4'-PENTAHYDROXYFLAVONE     ' non-polymer        32  22 .
QUI      QUI '2-CARBOXYQUINOXALINE                ' non-polymer        18  13 .
QUM      QUM 'QUINACRINE MUSTARD                  ' non-polymer        58  30 .
QUN      QUN 'QUINACRINE                          ' non-polymer        58  28 .
QUO      QUO '"2-AMINO-7-DEAZA-(2'',3''-DIHYDROXY-' RNA                57  33 .
QUS      QUS '(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXAD' non-polymer        19  13 .
QV4      QV4 '4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[al' non-polymer       108  55 .
QYT      QYT '(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,' non-polymer        25  18 .
R01      R01 '(4'-{[ALLYL(METHYL)AMINO]METHYL}-1,1' non-polymer        49  27 .
R02      R02 '{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)A' non-polymer        54  28 .
R03      R03 'ALLYL-{6-[3-(4-BROMO-PHENYL)-1-METHY' non-polymer        59  29 .
R04      R04 '(2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5' non-polymer        51  28 .
R10      R10 '5-O-phosphono-D-ribonic acid        ' non-polymer        23  15 .
R11      R11 '4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZ' non-polymer        57  32 .
R12      R12 '9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-3,' non-polymer        45  22 .
R13      R13 '"3-METHYL-7-(5,5,8,8-TETRAMETHYL-5,6' non-polymer        54  25 .
R15      R15 'N,N'-(heptane-1,7-diyldicarbamoyl)bi' non-polymer        61  35 .
R16      R16 'HEXADECANE                          ' non-polymer        50  16 .
R17      R17 'ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFU' non-polymer        48  26 .
R18      R18 '(17BETA)-17-HYDROXY-17-METHYLESTRA-4' non-polymer        45  21 .
R19      R19 'ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFU' non-polymer        56  28 .
R1A      R1A '"3-{[(2,2,5,5-TETRAMETHYL-1-OXO-2,5-' peptide            39  19 .
R1B      R1B '"3-{[(2,2,4,5,5-PENTAMETHYL-1-OXO-2,' peptide            42  20 .
R1C      R1C '"bis(2,2'-bipyridine-kappa~2~N~1~,N~' non-polymer        71  45 .
R1F      R1F '"3-{[(2,2,5,5-TETRAMETHYL-1-OXO-4-PH' peptide            49  25 .
R1P      R1P 'RIBOSE-1-PHOSPHATE                  ' furanose           23  14 .
R1T      R1T '"2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-' non-polymer        49  29 .
R1X      R1X '1,4-anhydro-D-ribitol               ' furanose           19   9 .
R20      R20 '4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE' non-polymer        21  12 .
R22      R22 '4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-Y' non-polymer        46  26 .
R23      R23 '"METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-' non-polymer        64  31 .
R24      R24 '1-[3-tert-butyl-1-(4-methylphenyl)-1' non-polymer        69  40 .
R2B      R2B '1,4-anhydro-D-erythro-pent-1-enitol ' non-polymer        17   9 .
R2C      R2C '5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]' non-polymer        41  25 .
R2G      R2G '2,5-anhydro-4-deoxy-D-erythro-pent-4' non-polymer        16   8 .
R2P      R2P '(2R)-2-amino-3-(4-hydroxy-1,2,5-thia' peptide            18  12 .
R36      R36 '4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOX' non-polymer        80  39 .
R37      R37 '3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOX' non-polymer        80  39 .
R39      R39 '1-[3-tert-butyl-1-(4-methylphenyl)-1' non-polymer        70  35 .
R46      R46 'N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-' non-polymer        55  28 .
R48      R48 '1-{3-[(6-aminoquinazolin-4-yl)amino]' non-polymer        68  38 .
R49      R49 '1-{4-[(6-aminoquinolin-4-yl)amino]ph' non-polymer        69  38 .
R4A      R4A '"BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KA' non-polymer       114  53 .
R52      R52 '5-O-phosphono-D-ribose              ' non-polymer        23  14 .
R55      R55 'N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1' non-polymer        81  42 .
R56      R56 '"5-OXO-6-PHENYLMETHANESULFONYLAMINO-' non-polymer        59  31 .
R5A      R5A 'RUTHENIUM WIRE, 5 CARBON LINKER     ' non-polymer       115  54 .
R5B      R5B 'RUTHENIUM WIRE WC5                  ' non-polymer       115  54 .
R5P      R5P 'RIBOSE-5-PHOSPHATE                  ' non-polymer        25  14 .
R64      R64 '(1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHY' non-polymer        54  30 .
R68      R68 'N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERI' non-polymer        81  43 .
R69      R69 'N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROX' non-polymer        68  37 .
R6A      R6A 'RUTHENIUM WIRE, 6 CARBON LINKER     ' non-polymer       118  55 .
R6C      R6C '(2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9' non-polymer        51  26 .
R6G      R6G 'RHODAMINE 6G                        ' non-polymer        81  41 .
R71      R71 '[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY' non-polymer        55  28 .
R78      R78 '4-{[(7R)-8-cyclopentyl-7-ethyl-5-met' non-polymer        77  38 .
R79      R79 'N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISO' non-polymer        55  28 .
R7A      R7A '"3-S-[(4-BROMO-2,2,5,5-TETRAMETHYL-1' peptide            39  20 .
R7U      R7U 'RUTHENIUM WIRE, 7 CARBON LINKER     ' non-polymer       121  56 .
R86      R86 '2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-ME' non-polymer        72  37 .
R88      R88 '(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPRO' non-polymer        47  25 .
R8D      R8D '3-chloro-5-[2-chloro-5-(1H-pyrazolo[' non-polymer        40  28 .
R8E      R8E '3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyr' non-polymer        42  29 .
R94      R94 'N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YL' non-polymer        75  40 .
R96      R96 'N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1' non-polymer        81  42 .
R99      R99 'N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-D-' non-polymer        53  26 .
R9A      R9A 'RUTHENIUM WIRE, 9 CARBON LINKER     ' non-polymer       127  58 .
RA2      RA2 '1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL' non-polymer        50  25 .
RA4      RA4 'N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-{[A' non-polymer        70  35 .
RA8      RA8 'N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-{[A' non-polymer        72  34 .
RAB      RAB '2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETH' non-polymer        32  19 .
RAC      RAC '4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMO' non-polymer        42  25 .
RAD      RAD 'C49-METHYL RAPAMYCIN                ' non-polymer       147  66 .
RAE      RAE '2-DEOXY-ALPHA-RHAMNOSE              ' pyranose           22  10 .
RAF      RAF 'raffinose                           ' pyranose           66  34 .
RAG      RAG 'ARGIFIN                             ' non-polymer        87  48 .
RAJ      RAJ 'N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TR' non-polymer        68  39 .
RAL      RAL 'RALOXIFENE                          ' non-polymer        61  34 .
RAM      RAM 'ALPHA-L-RHAMNOSE                    ' pyranose           23  11 .
RAN      RAN '"PHOSPHORIC ACID MONO-[3,4,6-TRIHYDR' non-polymer        35  19 .
RAO      RAO '1-O-METHYL-ALPHA-RHAMNOSE           ' pyranose           26  12 .
RAP      RAP 'RAPAMYCIN IMMUNOSUPPRESSANT DRUG    ' non-polymer       144  65 .
RAR      RAR '5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1' non-polymer        66  36 .
RAS      RAS 'N-PROPARGYL-1(R)-AMINONDAN          ' non-polymer        26  13 .
RAT      RAT 'D-arabinaric acid                   ' non-polymer        18  12 .
RAZ      RAZ '(1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-' non-polymer        41  15 .
RB1      RB1 '3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO' non-polymer        41  22 .
RB2      RB2 '2-({4-CHLORO-2-[HYDROXY(METHOXY)METH' non-polymer        37  17 .
RB3      RB3 '"(1R)-3-{[(1R)-3-METHOXY-1-METHYL-3-' non-polymer        42  20 .
RBC      RBC '"4-[(4R,5R)-3-(METHOXYMETHYL)-5-(2-N' non-polymer        70  38 .
RB       RB  'RUBIDIUM ION                        ' non-polymer         1   1 .
RBE      RBE '3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]O' non-polymer        37  20 .
RBF      RBF 'RIBOFLAVIN                          ' non-polymer        47  27 .
RBP      RBP '(3R,4R)-4-(4-BROMOPHENYL)-3-(2-NAPHT' non-polymer        47  25 .
RBS      RBS 'N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-AC' non-polymer        36  22 .
RBT      RBT 'RIFABUTIN                           ' non-polymer       123  61 .
RBU      RBU '.                                   ' non-polymer        50  30 .
RBY      RBY 'METHYLENE ADP-BETA-XYLOSE           ' non-polymer        61  36 .
RBZ      RBZ 'ALPHA-RIBAZOLE-5'-PHOSPHATE         ' non-polymer        41  24 .
RC1      RC1 '"[3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-' non-polymer        37  25 .
RC7      RC7 '"{(2R)-4-(4-HYDROXYBENZYL)-2-[2-(1H-' non-polymer        42  25 .
RC8      RC8 '(2R)-2-({9-(1-methylethyl)-6-[(4-pyr' non-polymer        61  32 .
RCA      RCA '6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-D' non-polymer        37  21 .
RCB      RCB '"4-nitrophenyl beta-D-glucopyranosyl' non-polymer        78  43 .
RCC      RCC '.                                   ' non-polymer        83  46 .
R        R   '.                                   ' DNA                51  31 .
RCL      RCL 'RICINOLEIC ACID                     ' non-polymer        54  21 .
RCO      RCO 'RESORCINOL                          ' non-polymer        14   8 .
RCP      RCP '(3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPH' non-polymer        71  36 .
RCY      RCY '"S-[(3S,3'R)-1'-hydroxy-2',2',5',5'-' peptide            48  24 .
RDA      RDA '"METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROX' non-polymer        46  28 .
RDC      RDC 'RADICICOL                           ' non-polymer        42  25 .
RDD      RDD '1-beta-D-ribofuranosyl-1,3,5-triazin' non-polymer        29  18 .
RDE      RDE '2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ET' non-polymer        47  27 .
RDF      RDF 'N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXY' non-polymer        70  37 .
RDI      RDI 'RADICICOL                           ' non-polymer        48  25 .
RDL      RDL '6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE ' non-polymer        37  23 .
RDR      RDR '4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFO' non-polymer        54  33 .
RE1      RE1 'GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINO' non-polymer        43  22 .
RE2      RE2 '5-[2-(4-hydroxyphenyl)ethyl]benzene-' non-polymer        31  17 .
RE9      RE9 '"6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIM' non-polymer        49  22 .
REA      REA 'RETINOIC ACID                       ' non-polymer        49  22 .
REB      REB '[4-({4-[(5-cyclopropyl-1H-pyrazol-3-' non-polymer        42  25 .
REC      REC 'CEPHALOSPORIN                       ' non-polymer        44  26 .
RE       RE  'RHENIUM                             ' non-polymer         1   1 .
RED      RED 'DIHYDROLIPOIC ACID                  ' non-polymer        27  12 .
REE      REE '2-(2-carboxyethyl)-1,1,1-trimethyldi' non-polymer        24  10 .
REF      REF '2,3,7,8-tetrahydroxychromeno[5,4,3-c' non-polymer        28  22 .
REL      REL 'D-glucuronic acid                   ' non-polymer        22  13 .
REM      REM 'Nalpha-[(2S)-2-benzyl-3-(tert-butyls' non-polymer        94  44 .
REN      REN '(S)-reticuline                      ' non-polymer        47  24 .
REO      REO 'PERRHENATE                          ' non-polymer         5   5 .
REP      REP '(1,10 PHENANTHROLINE)-(TRI-CARBON MO' non-polymer        29  21 .
REQ      REQ '(4,7-DIMETHYL-1,10-PHENANTHROLINE-KA' non-polymer        44  23 .
RER      RER '(1R,3S,4S,5S)-3-amino-2,3,6-trideoxy' pyranose           26  11 .
RES      RES '4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID' non-polymer        22  14 .
RET      RET 'RETINAL                             ' non-polymer        49  21 .
REW      REW '"(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2' non-polymer        65  38 .
REX      REX 'GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL' non-polymer        51  26 .
REY      REY 'GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL' non-polymer        41  21 .
REZ      REZ '(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL' non-polymer        33  17 .
RF1      RF1 'tert-butyl 4-(3-thiophen-2-yl-1,2,4-' non-polymer        44  23 .
RF2      RF2 '3-(4-fluorophenyl)-5-phenyl-4H-1,2,4' non-polymer        28  18 .
RF3      RF3 '1-(thiophen-2-ylacetyl)-4-(3-thiophe' non-polymer        41  24 .
RF5      RF5 '1,4-anhydro-2-deoxy-2-fluoro-5-O-pho' non-polymer        21  13 .
RFA      RFA '.                                   ' non-polymer       145  70 .
RFB      RFB '.                                   ' non-polymer       145  70 .
RFC      RFC '(R)-IBUPROFENOYL-COENZYME A         ' non-polymer       111  62 .
RFL      RFL '8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-AD' non-polymer        89  55 .
RFP      RFP 'RIFAMPICIN                          ' non-polymer       117  59 .
RFX      RFX '(3R)-N-methyl-3-phenyl-3-[4-(trifluo' non-polymer        40  22 .
RFZ      RFZ '5,6-dichloro-1-beta-D-ribofuranosyl-' non-polymer        32  20 .
RG1      RG1 'RHODOPIN GLUCOSIDE                  ' non-polymer       118  52 .
RGA      RGA 'REIDISPONGIOLIDE A                  ' non-polymer       155  68 .
RGC      RGC 'REIDISPONGIOLIDE C                  ' non-polymer       149  66 .
RGG      RGG '(2R)-2,3-dihydroxypropyl beta-D-gala' pyranose           35  17 .
RGI      RGI 'METHYLCARBAMIC ACID                 ' non-polymer        10   5 .
RGL      RGL 'ARGINAL                             ' non-polymer        26  11 .
RGP      RGP 'GAMMA-GLUTAMYL PHOSPHATE            ' non-polymer        21  14 .
RGS      RGS '4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTY' non-polymer        68  40 .
RGT      RGT '"2-amino-9-{5-O-[(R)-hydroxy{[(R)-hy' non-polymer        64  45 .
RH1      RH1 '2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL' non-polymer        31  17 .
RH3      RH3 'RHODIUM(III) ION                    ' non-polymer         1   1 .
RH9      RH9 'RHIZOPODIN                          ' non-polymer       228 104 .
RHA      RHA '6-DEOXY-MANNOSE-1'-PHOSPHATE        ' pyranose           26  15 .
RHC      RHC '5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANY' non-polymer        33  17 .
RH       RH  'Rhodium                             ' non-polymer         1   1 .
RHD      RHD 'RHODIUM HEXAMINE ION                ' non-polymer        25   7 .
RHM      RHM 'DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIA' non-polymer        56  29 .
RHO      RHO 'TETRAMETHYLRHODAMINE-5-MALEIMIDE    ' non-polymer        60  36 .
RHP      RHP '(3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL ' non-polymer        27  14 .
RHQ      RHQ 'RHODAMINE 6G                        ' non-polymer        64  33 .
RHS      RHS '3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TER' non-polymer        43  17 .
RHX      RHX '[2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL' non-polymer        48  29 .
RIA      RIA '2'-O-[(5'-PHOSPHO)RIBOSYL]ADENOSINE-' non-polymer        55  36 .
RIB      RIB 'RIBOSE                              ' furanose           20  10 .
RID      RID '"(3R,5R)-7-[2-(4-fluorophenyl)-5-(1-' non-polymer        77  41 .
RIE      RIE '"(3R,5R)-7-[1-(4-fluorophenyl)-4-(1-' non-polymer        73  38 .
RIF      RIF 'RIFAMYCIN CGP 4832                  ' non-polymer       132  67 .
RIG      RIG 'ARGADIN                             ' non-polymer        87  48 .
RIL      RIL '[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL' non-polymer        41  18 .
RIM      RIM 'RIMANTADINE                         ' non-polymer        34  13 .
RIN      RIN '3-AMINO-AZACYCLOTRIDECAN-2-ONE      ' non-polymer        39  15 .
RIO      RIO 'RIBOSTAMYCIN                        ' non-polymer        65  31 .
RIP      RIP 'RIBOSE(PYRANOSE FORM)               ' pyranose           20  10 .
RIS      RIS '1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE ' non-polymer        28  17 .
RIT      RIT 'RITONAVIR                           ' non-polymer        98  50 .
RIV      RIV '"5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxo' non-polymer        47  29 .
RJ1      RJ1 'N-[2-chloro-5-(trifluoromethyl)pheny' non-polymer        27  18 .
RJ6      RJ6 'N-(3,5-dimethoxyphenyl)imidodicarbon' non-polymer        32  17 .
RKA      RKA 'N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHEN' non-polymer        60  35 .
RKS      RKS '"methyl N~6~-acetyl-N~2~-[(2,3-dihyd' non-polymer        74  38 .
RL2      RL2 'N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-' non-polymer        53  26 .
RLP      RLP '3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL)' non-polymer        44  27 .
RLT      RLT 'N-(4-fluorobenzyl)-5-hydroxy-1-methy' non-polymer        53  32 .
RM1      RM1 'N-METHYL-1(R)-AMINOINDAN            ' non-polymer        24  11 .
RM2      RM2 '4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDA' non-polymer        27  14 .
RM4      RM4 '6-deoxy-beta-L-mannopyranose        ' non-polymer        23  11 .
RMA      RMA 'N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N' non-polymer        29  14 .
RMB      RMB 'N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METH' non-polymer        38  23 .
RMC      RMC '(2R)-2-({6-[BENZYL(METHYL)AMINO]-9-I' non-polymer        55  27 .
RMN      RMN '(R)-MANDELIC ACID                   ' non-polymer        18  11 .
RMP      RMP '2'-DEOXY-ADENOSINE-5'-RP-MONOMETHYLP' non-polymer        38  22 .
RNA      RNA '4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURY' non-polymer        38  24 .
RNG      RNG '"(6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,' non-polymer        32  16 .
RNO      RNO '(R)-PARA-NITROSTYRENE OXIDE         ' non-polymer        19  12 .
RNP      RNP '(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPH' non-polymer        38  19 .
RNR      RNR '3,6-bis(3-(3'-(R)-fluoropyrrolindino' non-polymer        67  36 .
RNS      RNS 'L-RHAMNOSE                          ' non-polymer        23  11 .
RNT      RNT 'L-RHAMNITOL                         ' non-polymer        25  11 .
RO0      RO0 '1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOX' non-polymer        78  40 .
RO1      RO1 '(3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-' non-polymer       103  50 .
RO2      RO2 '3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H' non-polymer        55  32 .
RO3      RO3 'N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-Y' non-polymer        30  20 .
RO4      RO4 '"[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL' non-polymer        63  28 .
RO5      RO5 'N-[(5-bromo-1,3-thiazol-2-yl)carbamo' non-polymer        33  21 .
RO6      RO6 '3-(2-chlorophenyl)-7-[(trans-4-hydro' non-polymer        46  26 .
RO7      RO7 '"(2S)-2-methoxy-3-{4-[2-(5-methyl-2-' non-polymer        53  31 .
ROC      ROC '"N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8' non-polymer        99  49 .
ROF      ROF '3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLO' non-polymer        40  26 .
ROI      ROI '7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPT' non-polymer        26  15 .
ROK      ROK '4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOY' non-polymer        30  17 .
ROL      ROL 'ROLIPRAM                            ' non-polymer        41  20 .
ROM      ROM 'C-1027 AROMATIZED CHROMOPHORE       ' non-polymer       105  60 .
ROP      ROP 'PROPIONAMIDE                        ' non-polymer        12   5 .
ROS      ROS 'N,N'-TETRAMETHYL-ROSAMINE           ' non-polymer        49  26 .
ROX      ROX 'ROXITHROMYCIN                       ' non-polymer       134  58 .
RP1      RP1 '6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETR' non-polymer        34  22 .
RP4      RP4 '"(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(P' non-polymer        42  25 .
RP5      RP5 'RIBOSE-5-PHOSPHATE, PYRANOSE FORM   ' non-polymer        23  14 .
RPA      RPA 'RHODOPINAL GLUCOSIDE                ' non-polymer       119  53 .
RPD      RPD '.                                   ' non-polymer        49  30 .
RPF      RPF '1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOX' non-polymer        76  39 .
RPH      RPH '6-HYDROXO-OCTAHYDRO-INDOLE-2-CARBALD' non-polymer        27  12 .
RPL      RPL '.                                   ' non-polymer        49  30 .
RPN      RPN '(R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHA' non-polymer        23  15 .
RPP      RPP '2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1' non-polymer        34  20 .
RPR      RPR '.                                   ' non-polymer        64  34 .
RPT      RPT 'RIFAPENTINE                         ' non-polymer       127  63 .
RPX      RPX 'C16-ETHOXY-RAPAMYCIN,IMMUNOSUPPRESSA' non-polymer       143  66 .
RQ3      RQ3 '2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL' non-polymer        47  25 .
RR1      RR1 '"5-(4,6-DIAMINO-[1,3,5]TRIAZIN-2-YLA' non-polymer        56  40 .
RR6      RR6 '"3-HYDROXY-7-(4-{1-[2-HYDROXY-3-(2-H' non-polymer        97  72 .
RR8      RR8 '"(3R,4R)-1-METHANESULFONYL-PYRROLIDI' non-polymer        58  36 .
RRC      RRC 'R-ROSCOVITINE                       ' non-polymer        52  26 .
RRP      RRP '3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)S' non-polymer        49  30 .
RRR      RRR '4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]' non-polymer        45  28 .
RRS      RRS 'N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-' non-polymer        69  33 .
RRT      RRT '(R)-RETRO-THIORPHAN                 ' non-polymer        31  17 .
RS1      RS1 '"4-[4-(4-CHLORO-PHENOXY)-BENZENESULF' non-polymer        48  28 .
RS2      RS2 'N-HYDROXY-2-[4-(4-PHENOXY-BENZENESUL' non-polymer        48  27 .
RS3      RS3 '1-deoxy-1-[8-(dimethylamino)-7-methy' non-polymer        52  29 .
RS7      RS7 '(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLI' non-polymer        38  19 .
RSA      RSA 'N-PROPARGYL-1(S)-AMINOINDAN         ' non-polymer        26  13 .
RSD      RSD 'RESPINOMYCIN D                      ' non-polymer       150  75 .
RSF      RSF '(3R,3aS,6aR)-hexahydrofuro[2,3-b]fur' non-polymer        19   9 .
RSH      RSH '3-DEOXY-D-LYXO-HEXONIC ACID         ' non-polymer        23  12 .
RSM      RSM '(2S)-2-(acetylamino)-N-methyl-4-[(R)' non-polymer        30  14 .
RSO      RSO 'R-STYRENE OXIDE                     ' non-polymer        17   9 .
RSQ      RSQ '.                                   ' RNA                35  23 .
RSS      RSS '"5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCL' non-polymer        66  32 .
RSX      RSX '(4aS,7aR)-octahydro-1H-cyclopenta[b]' non-polymer        34  17 .
RT3      RT3 '"S-{2-[(2-chloro-4-sulfamoylphenyl)a' non-polymer        49  29 .
RT7      RT7 '"S-{2-[(2-chloro-4-sulfamoylphenyl)a' non-polymer        46  30 .
RT8      RT8 'NALPHA-[(TRANS-4-METHYLCYCLOHEXYL)CA' non-polymer        58  30 .
RTA      RTA '.                                   ' non-polymer        73  31 .
RTB      RTB '.                                   ' non-polymer        52  33 .
RTC      RTC 'RHENIUM (I) TRICARBONYL             ' non-polymer         7   7 .
RTL      RTL 'RETINOL                             ' non-polymer        51  21 .
RTP      RTP 'RIBAVIRIN TRIPHOSPHATE              ' non-polymer        40  29 .
RTR      RTR '4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)S' non-polymer        49  30 .
RTY      RTY '4-{4-[(2S,3R)-2-amino-4-bromo-3-hydr' non-polymer        39  20 .
RU6      RU6 '.                                   ' non-polymer       150  69 .
RU7      RU7 'PARA-CYMENE RUTHENIUM CHLORIDE      ' non-polymer        27  13 .
RU8      RU8 '"bis(2,2'-bipyridine-kappa~2~N~1~,N~' non-polymer        70  44 .
RUA      RUA '(4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-B' non-polymer        95  39 .
RUB      RUB 'RIBULOSE-1,5-DIPHOSPHATE            ' non-polymer        26  18 .
RUC      RUC '(eta6-benzene)ruthenium             ' non-polymer        13   7 .
RU       RU  'RUTHENIUM ION                       ' non-polymer         1   1 .
RUF      RUF '7-(2-chlorobenzyl)-1,3-dimethyl-8-pi' non-polymer        48  27 .
RUG      RUG '1-beta-D-glucopyranosyl-4-(hydroxyme' non-polymer        33  18 .
RUM      RUM '2-({2-[(3R)-3-aminopiperidin-1-yl]-5' non-polymer        42  24 .
RUN      RUN '2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLO' non-polymer        93  47 .
RUP      RUP '(R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3' non-polymer        73  36 .
RUR      RUR '"[3,3'-(7,12-diethyl-3,8,13,17-tetra' non-polymer        77  43 .
RUT      RUT 'RUTIN                               ' non-polymer        73  43 .
RVP      RVP 'RIBAVIRIN MONOPHOSPHATE             ' non-polymer        32  21 .
RW1      RW1 '4-phenylpyrimidine                  ' non-polymer        20  12 .
RW3      RW3 'N-[6-(4-amino-1-{[2-(4-methylpiperaz' non-polymer        69  41 .
RW4      RW4 '3-(2-amino-1,3-benzothiazol-6-yl)-1-' non-polymer        64  38 .
RWF      RWF 'R-WARFARIN                          ' non-polymer        39  23 .
RWJ      RWJ '"CYCLOPENTANECARBOXYLIC ACID [1-(BEN' non-polymer        52  27 .
RX3      RX3 'N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYL' non-polymer        79  44 .
RX4      RX4 '"N~2~-acetyl-N-{(1R)-1-[(S)-[(2S)-3-' non-polymer        64  34 .
RXA      RXA 'isoquinoline-1,3,4(2H)-trione       ' non-polymer        18  13 .
RXB      RXB '"(1S)-2-oxo-1-phenyl-2-[(1,3,4-triox' non-polymer        41  27 .
RXC      RXC '"(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1' non-polymer        41  28 .
RXD      RXD '"N-[3-(2-fluoroethoxy)phenyl]-N'-(1,' non-polymer        49  31 .
RXP      RXP '"1-BENZYLOXYCARBONYLAMINO-2-PHENYL-E' non-polymer        93  50 .
RXV      RXV '6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5' non-polymer        60  33 .
RYN      RYN 'N-ethyl-N'-(1-methylethyl)-6-(methyl' non-polymer        32  15 .
RYU      RYU '"(2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIP' non-polymer        54  31 .
S01      S01 '1-[4-(8-CHLORO-3-METHYL-5,6-DIHYDRO-' non-polymer        58  32 .
S02      S02 '"PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2' non-polymer        55  26 .
S03      S03 '1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H' non-polymer        59  32 .
S06      S06 '(3S,5R,7R,8S,9S,10R)-7-(hydroxymethy' non-polymer        46  25 .
S0H      S0H '(S)-2-HYDROXYPROPYLPHOSPHONIC ACID  ' non-polymer        17   8 .
S10      S10 'DIETHYL PROPANE-1,3-DIYLBISCARBAMATE' non-polymer        33  15 .
S11      S11 '"5-(3,5-DICHLOROPHENYL)THIO-4-ISOPRO' non-polymer        49  29 .
S13      S13 '(3S,5R,7R,8S,9S,10R)-7-(hydroxymethy' non-polymer        43  22 .
S14      S14 '6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAM' non-polymer        56  31 .
S17      S17 'methyl 4-bromo-N-[8-(hydroxyamino)-8' non-polymer        51  26 .
S1A      S1A 'SORAPHEN A                          ' non-polymer        81  37 .
S1H      S1H '1-HEXADECANOSULFONYL-O-L-SERINE     ' peptide            64  26 .
S1P      S1P '(2S,3R,4E)-2-amino-3-hydroxyoctadec-' non-polymer        61  25 .
S1S      S1S '"2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-' non-polymer        98  55 .
S1T      S1T '"2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-' non-polymer        49  29 .
S22      S22 '1-(4-(4-(2-(isopropylsulfonyl)phenyl' non-polymer        71  38 .
S23      S23 'N-{(2S)-3-[(1R)-1-aminoethyl](hydrox' non-polymer        55  29 .
S24      S24 'S-(2,4-dihydroxyphenyl) hydrogen thi' non-polymer        18  12 .
S27      S27 'N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-' non-polymer        53  26 .
S2A      S2A '.                                   ' non-polymer        73  40 .
S2C      S2C 'S-2-(BORONOETHYL)-L-CYSTEINE        ' peptide            25  13 .
S2D      S2D 'N-BENZOYL-D-ALANINE                 ' non-polymer        24  14 .
S2M      S2M '2'-O-[2-(METHOXY)ETHYL]-2-THIOTHYMID' DNA                45  26 .
S2N      S2N '"S-[2-({N-[(2R)-2-hydroxy-4-{[(S)-hy' non-polymer        83  37 .
S2P      S2P '(2S)-2-amino-3-(4-hydroxy-1,2,5-thia' peptide            18  12 .
S30      S30 '2-{[4-amino-3-(3-hydroxyprop-1-yn-1-' non-polymer        55  34 .
S3B      S3B '3-methyl-2-(propanoyloxy)benzoic aci' non-polymer        26  15 .
S3H      S3H 'trisulfane                          ' non-polymer         5   3 .
S3P      S3P 'SHIKIMATE-3-PHOSPHATE               ' non-polymer        24  16 .
S44      S44 '"(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7' non-polymer        77  37 .
S45      S45 '(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxa' non-polymer        32  18 .
S48      S48 '"METHYL N-{(3S)-1-[(1-METHYL-1H-IMID' non-polymer        68  38 .
S4A      S4A '.                                   ' non-polymer        34  22 .
S4C      S4C '4'-THIO-4'-DEOXY-CYTOSINE-5'-MONOPHO' RNA                33  21 .
S4G      S4G '.                                   ' non-polymer        35  23 .
S4H      S4H 'trithiosulfurous acid               ' non-polymer         6   4 .
S4M      S4M '5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMB' non-polymer        48  24 .
S51      S51 '2-benzyl-1-phenyl-3-(piperazin-1-ylc' non-polymer        55  30 .
S52      S52 '2-phenoxy-1-phenyl-3-(piperazin-1-yl' non-polymer        53  30 .
S55      S55 '"METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D' non-polymer        74  38 .
S57      S57 '1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEX' non-polymer        42  21 .
S58      S58 '1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHY' non-polymer        37  26 .
S5H      S5H '5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCI' non-polymer        67  30 .
S5P      S5P '6-sulfanyluridine-5'-phosphate      ' non-polymer        33  22 .
S5S      S5S '2-sulfanyl-2lambda~4~-tetrasulfane  ' non-polymer         9   5 .
S60      S60 '6-amino-2-methyl-1,7-dihydro-8H-imid' non-polymer        25  16 .
S6G      S6G '6-THIO-2'-DEOXYGUANOSINE-5'-MONOPHOS' DNA                35  23 .
S6P      S6P 'D-SORBITOL-6-PHOSPHATE              ' non-polymer        29  16 .
S70      S70 '3-HYDROXY-2-OXO-4-PHOPHONOXY- BUTYL)' non-polymer        23  15 .
S79      S79 '6-amino-2-[(1-naphthylmethyl)amino]-' non-polymer        43  27 .
S7B      S7B '2-[(cyclopropylcarbonyl)oxy]-3-methy' non-polymer        27  16 .
S80      S80 'N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-IS' non-polymer        66  29 .
S91      S91 '"[4-({5-(AMINOCARBONYL)-4-[(3-METHYL' non-polymer        46  28 .
S98      S98 '6-amino-2-[(thiophen-2-ylmethyl)amin' non-polymer        34  22 .
S99      S99 '7-phenyl-1-(4-pyridin-2-yl-1,3-oxazo' non-polymer        50  26 .
S9L      S9L '2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHYL D' non-polymer        27  14 .
SA1      SA1 '(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-' non-polymer        41  20 .
SA2      SA2 '(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(' non-polymer        41  24 .
SA3      SA3 '2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRAN' non-polymer        59  38 .
SA6      SA6 '(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en' non-polymer        43  20 .
SA8      SA8 'S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE' non-polymer        49  27 .
SAB      SAB '4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BEN' non-polymer        35  18 .
SAC      SAC 'N-ACETYL-SERINE                     ' non-polymer        18  10 .
SAD      SAD 'BETA-METHYLENE-SELENAZOLE-4-CARBOXYA' non-polymer        70  43 .
SAE      SAE 'SELENAZOLE-4-CARBOXYAMIDE-ADENINE DI' non-polymer        66  43 .
SAF      SAF '3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENO' non-polymer        27  12 .
SAG      SAG '(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYL' non-polymer        39  22 .
SAH      SAH 'S-ADENOSYL-L-HOMOCYSTEINE           ' peptide            45  26 .
SAI      SAI 'S-ADENOSYL-L-HOMOSELENOCYSTEINE     ' non-polymer        45  26 .
SAK      SAK '(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7' non-polymer        35  21 .
SAL      SAL '2-HYDROXYBENZOIC ACID               ' non-polymer        15  10 .
SAM      SAM 'S-ADENOSYLMETHIONINE                ' non-polymer        50  27 .
SAN      SAN 'SULFANILAMIDE                       ' non-polymer        19  11 .
SAP      SAP '.                                   ' non-polymer        45  31 .
SAQ      SAQ '2-[(thiophen-2-ylmethyl)amino]-1,7-d' non-polymer        32  21 .
SAR      SAR 'SARCOSINE                           ' non-polymer        12   6 .
SAS      SAS '2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)S' non-polymer        41  28 .
SAT      SAT 'sulfoacetic acid                    ' non-polymer        11   8 .
SAV      SAV 'N~4~-(3-methyl-1H-indazol-6-yl)-N~2~' non-polymer        52  30 .
SAW      SAW '(1R,3S,5R,7S)-N-[8-({[5-(dimethylami' non-polymer        84  39 .
SAZ      SAZ '(1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-' non-polymer        41  15 .
SB1      SB1 '"(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-' non-polymer        70  31 .
SB2      SB2 '4-[5-(4-FLUORO-PHENYL)-2-(4-METHANES' non-polymer        43  27 .
SB3      SB3 '"1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETH' non-polymer        68  33 .
SB4      SB4 '4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)' non-polymer        44  25 .
SB5      SB5 '4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL' non-polymer        39  23 .
SB6      SB6 '4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLME' non-polymer        38  22 .
SB7      SB7 '[HYDROXY(3-PHENYLPROPYL)AMINO]METHAN' non-polymer        28  13 .
SB8      SB8 '2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FO' non-polymer        36  21 .
SB9      SB9 'HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROP' non-polymer        28  14 .
SBA      SBA 'CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCI' non-polymer        65  29 .
SBB      SBB 'N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAM' non-polymer        47  26 .
SBC      SBC '1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHY' non-polymer        37  25 .
SB       SB  'ANTIMONY (III) ION                  ' non-polymer         1   1 .
SBD      SBD 'D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ' peptide            47  26 .
SBE      SBE '1,3,2-DIOXABOROLAN-2-OL             ' non-polymer        11   6 .
SBF      SBF 'N-[8-({[5-(dimethylamino)naphthalen-' non-polymer        86  39 .
SBG      SBG 'O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-' non-polymer        20  11 .
SBH      SBH '(S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL ' non-polymer        26  16 .
SBI      SBI 'SORBINIL                            ' non-polymer        26  17 .
SBL      SBL 'L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ' peptide            47  26 .
SBN      SBN '2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFON' non-polymer        34  20 .
SBO      SBO 'TRIHYDROXYANTIMONITE(III)           ' non-polymer         7   4 .
SBP      SBP '[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPY' non-polymer        28  13 .
SBR      SBR '(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)' non-polymer        47  26 .
SBS      SBS '(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)' non-polymer        47  26 .
SBT      SBT '2-BUTANOL                           ' non-polymer        15   5 .
SBX      SBX '"1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3' non-polymer        74  33 .
SBY      SBY '3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-' non-polymer        59  22 .
SBZ      SBZ '[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHY' non-polymer        30  16 .
SC0      SC0 '(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DI' non-polymer        59  25 .
SC1      SC1 '"[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-' non-polymer        37  25 .
SC2      SC2 'N-ACETYL-L-CYSTEINE                 ' non-polymer        18  10 .
SC3      SC3 '7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-' non-polymer        49  26 .
SC4      SC4 '1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHY' non-polymer        44  27 .
SC5      SC5 '2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMIN' non-polymer        50  24 .
SC6      SC6 'N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-' non-polymer        83  44 .
SC7      SC7 '"N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-' non-polymer        83  40 .
SC8      SC8 '5-(2,3-dichlorophenyl)-N-(pyridin-4-' non-polymer        38  25 .
SC9      SC9 '6-(2-fluorophenyl)-N-(pyridin-3-ylme' non-polymer        38  24 .
SCA      SCA 'SUCCINYL-COENZYME A                 ' non-polymer        90  55 .
SCB      SCB '"2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHO' non-polymer        51  33 .
SCC      SCC 'THIOETHYL GROUP                     ' non-polymer         9   3 .
SC       SC  '2-DEOXY-CYTIDINE-5'-THIOPHOSPHORATE ' non-polymer        34  20 .
SCD      SCD 'SUCCINYL(CARBADETHIA)-COENZYME A    ' non-polymer        92  55 .
SCE      SCE '3-methyl-N-(pyridin-4-ylmethyl)imida' non-polymer        31  18 .
SCF      SCF '5-(2-fluorophenyl)-N-(pyridin-4-ylme' non-polymer        38  24 .
SCG      SCG '"METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPY' non-polymer        51  27 .
SCH      SCH 'S-METHYL-THIO-CYSTEINE              ' peptide            17   9 .
SCI      SCI 'L-THIOCITRULLINE                    ' non-polymer        24  12 .
SCJ      SCJ '3-bromo-5-phenyl-N-(pyridin-3-ylmeth' non-polymer        38  24 .
SCK      SCK '2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(' non-polymer        50  20 .
SCL      SCL 'ACETIC ACID SALICYLOYL-AMINO-ESTER  ' non-polymer        23  14 .
SCM      SCM 'SPECTINOMYCIN                       ' non-polymer        47  23 .
SCN      SCN 'THIOCYANATE ION                     ' non-polymer         3   3 .
SCO      SCO 'SUCCINAMIDE-COA                     ' non-polymer        91  55 .
SCQ      SCQ '3-bromo-5-phenyl-N-(pyrimidin-5-ylme' non-polymer        38  24 .
SCR      SCR 'SUCROSE OCTASULFATE                 ' pyranose           77  55 .
SCS      SCS '3-(ethyldisulfanyl)-L-alanine       ' peptide            20  10 .
SCT      SCT '(SOUTH)-METHANOCARBA-THYMIDINE      ' non-polymer        34  18 .
SCU      SCU 'N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OX' non-polymer        31  13 .
SCV      SCV 'N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYL' non-polymer        45  25 .
SCW      SCW '3-bromo-6-phenyl-N-(pyrimidin-5-ylme' non-polymer        38  24 .
SCX      SCX 'N-((2-aminopyrimidin-5-yl)methyl)-5-' non-polymer        45  28 .
SCY      SCY 'S-ACETYL-CYSTEINE                   ' peptide            18  10 .
SCZ      SCZ '3-cyclopropyl-5-phenyl-N-(pyridin-3-' non-polymer        45  26 .
SD1      SD1 '2-[(3,4,5-trimethoxyphenyl)amino]-4-' non-polymer        66  35 .
SD2      SD2 'N-(SULFANYLACETYL)TYROSYLPROLYLMETHI' non-polymer        62  32 .
SD3      SD3 'N-hydroxy-D-asparagine              ' non-polymer        17  10 .
SD8      SD8 '"2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PI' non-polymer        46  26 .
SDA      SDA '4-AMINO-3,5-DICHLOROBENZENESULFONAMI' non-polymer        19  13 .
SDB      SDB '"(4S)-2-[(1S)-1-amino-2-hydroxyethyl' non-polymer        25  13 .
SDC      SDC 'S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEIN' non-polymer        24  13 .
SDF      SDF '[(R)-(2,4-dichlorophenyl)(sulfanyl)m' non-polymer        21  14 .
SDG      SDG '"2-amino-9-(2-deoxy-5-O-phosphono-be' non-polymer        35  23 .
SDK      SDK '1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]' non-polymer        84  42 .
SDN      SDN '"[(3S)-9-hydroxy-1-methyl-10-oxo-4,1' non-polymer        34  21 .
SDP      SDP '2-AMINO-3-(DIETHOXY-PHOSPHORYLOXY)-P' peptide            30  15 .
SDS      SDS 'DODECYL SULFATE                     ' non-polymer        43  17 .
SDT      SDT '3,4-dihydroxy-9,10-secoandrosta-1(10' non-polymer        47  23 .
SDX      SDX 's-citryldethia Coenzyme A           ' non-polymer       100  60 .
SDZ      SDZ '1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY' non-polymer        62  29 .
SE0      SE0 '"(2R)-2-[(1R)-2-[(2S)-2-amino-2-carb' non-polymer        50  29 .
SE4      SE4 'SELENATE ION                        ' non-polymer         5   5 .
SE8      SE8 '"5-[(2-{[(3S)-5-{[(2S)-2-amino-2-car' non-polymer        52  31 .
SEB      SEB 'O-BENZYLSULFONYL-SERINE             ' peptide            29  17 .
SEC      SEC '2-AMINO-3-SELENINO-PROPIONIC ACID   ' peptide            15   9 .
SE       SE  'SELENIUM ATOM                       ' non-polymer         1   1 .
SEE      SEE 'trihydroxy(L-serinato-kappaO~3~)bora' peptide            19  11 .
SEH      SEH 'S-BENZYL PHENYLACETOTHIOHYDROXIMATE-' non-polymer        30  17 .
SEI      SEI '"1-{3-METHYL-2-[4-(MORPHOLINE-4-CARB' non-polymer        81  44 .
SEK      SEK 'SELENOCYANATE ION                   ' non-polymer         3   3 .
SEL      SEL '2-AMINO-1,3-PROPANEDIOL             ' non-polymer        15   6 .
SEM      SEM '.                                   ' .                  29  14 .
SEN      SEN 'O-[N,N-dimethylphosphoramidate]-L-se' peptide            25  13 .
SEP      SEP 'PHOSPHOSERINE                       ' peptide            16  11 .
SER      SER 'SERINE                              ' peptide            11   6 .
SES      SES '4-butyl-5-propyl-1,3-selenazol-2-ami' non-polymer        31  13 .
SET      SET 'AMINOSERINE                         ' non-polymer        15   7 .
SF1      SF1 '1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-' non-polymer        42  27 .
SF2      SF2 '5-CHLORO-1-(3-METHOXYBENZYL)-3-(PHEN' non-polymer        46  29 .
SF3      SF3 'FE4-S3 CLUSTER                      ' non-polymer         9   7 .
SF4      SF4 'IRON/SULFUR CLUSTER                 ' non-polymer        12   8 .
SF8      SF8 '"(2R)-2-(2-{[(1R)-1-carboxy-4-{[(3S)' non-polymer        52  33 .
SFA      SFA 'SANGLIFEHRIN A                      ' non-polymer       169  78 .
SFC      SFC '(S)-IBUPROFENOYL-COENZYME A         ' non-polymer       111  62 .
SFD      SFD '.                                   ' non-polymer        90  57 .
SFG      SFG 'ADENOSYL-ORNITHINE                  ' non-polymer        49  27 .
SFM      SFM '.                                   ' non-polymer       109  53 .
SFO      SFO 'SULFONIC ACID                       ' non-polymer         7   4 .
SFP      SFP '5,10,15,20-TETRAKIS(4-SULPFONATOPHEN' non-polymer        98  64 .
SFR      SFR '"(2R)-2-[(1S,2R)-1-carboxy-2-hydroxy' non-polymer        35  20 .
SFT      SFT 'SULFOGALACTOCERAMIDE                ' non-polymer       155  62 .
SFU      SFU 'METHYL 6-DEOXY-1-SELENO-ALPHA-L-GALA' non-polymer        26  12 .
SFX      SFX '(3S)-N-methyl-3-phenyl-3-[4-(trifluo' non-polymer        40  22 .
SG1      SG1 '3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BE' non-polymer        30  19 .
SG2      SG2 '1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]I' non-polymer        23  15 .
SG3      SG3 '[(1E,3R,4S)-4-FLUORO-3,5-DIHYDROXY-4' non-polymer        25  13 .
SGA      SGA 'O3-SULFONYLGALACTOSE                ' pyranose           28  16 .
SGB      SGB 'O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHO' peptide            29  14 .
SGC      SGC '4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE ' pyranose           24  12 .
SGI      SGI '3-(4-hydroxyphenyl)propanamide      ' non-polymer        23  12 .
SGL      SGL '1-HYDROXY-1-THIO-GLYCEROL           ' non-polymer        15   7 .
SGM      SGM 'MONOTHIOGLYCEROL                    ' non-polymer        14   6 .
SGN      SGN 'N,O6-DISULFO-GLUCOSAMINE            ' pyranose           33  20 .
SGP      SGP 'GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOAT' non-polymer        35  23 .
SGR      SGR 'O-[(R)-AMINO(METHOXY)PHOSPHORYL]-L-S' non-polymer        22  12 .
SGS      SGS '"(E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4' pyranose           49  27 .
SGV      SGV 'SANGIVAMYCIN                        ' non-polymer        37  22 .
SGX      SGX 'O-[(S)-AMINO(METHOXY)PHOSPHORYL]-L-S' non-polymer        22  12 .
SH1      SH1 'N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-' non-polymer        67  33 .
SH4      SH4 '(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BE' non-polymer        42  23 .
SHA      SHA 'SALICYLHYDROXAMIC ACID              ' non-polymer        18  11 .
SHB      SHB 'methyl beta-D-galactopyranuronate   ' pyranose           26  14 .
SHC      SHC 'S-HEXYLCYSTEINE                     ' peptide            31  13 .
SHD      SHD 'alpha-D-altropyranose               ' non-polymer        24  12 .
SHF      SHF 'LAEVULINIC ACID                     ' non-polymer        15   8 .
SHG      SHG '2-deoxy-2-fluoro-beta-D-glucopyranos' non-polymer        23  12 .
SHH      SHH 'OCTANEDIOIC ACID HYDROXYAMIDE PHENYL' non-polymer        39  19 .
SHI      SHI '(S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-' non-polymer        19  12 .
SHM      SHM 'HOMOBIOTIN                          ' non-polymer        34  17 .
SHO      SHO '5-HYDROXYLAEVULINIC ACID            ' non-polymer        17   8 .
SHP      SHP '(4-HYDROXYMALTOSEPHENYL)GLYCINE     ' peptide            62  34 .
SHR      SHR 'N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ' non-polymer        36  19 .
SHT      SHT 'O-PHOSPHONO-N-{(2E)-7-[(2-SULFOETHYL' non-polymer        49  28 .
SHU      SHU '4,6-DIOXOHEPTANOIC ACID             ' non-polymer        20  11 .
SHV      SHV 'HEPTANOIC ACID                      ' non-polymer        22   9 .
SHW      SHW '"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimeth' non-polymer        67  32 .
SHY      SHY '4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZOD' non-polymer        57  33 .
SI1      SI1 'N-(BUTYLSULFONYL)-D-SERYL-N-{4-[AMIN' non-polymer        58  29 .
SIA      SIA 'O-SIALIC ACID                       ' non-polymer        39  21 .
SIB      SIB '"(2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4' peptide            44  26 .
SIC      SIC '(2R)-2-[(3S)-3-amino-2,5-dioxopyrrol' non-polymer        23  14 .
SID      SID '"methyl 9-S-acetyl-5-(acetylamino)-3' non-polymer        47  25 .
SIE      SIE 'SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYL' non-polymer        68  35 .
SIF      SIF '3-TRIMETHYLSILYLSUCCINIC ACID       ' non-polymer        24  12 .
SIG      SIG 'STIGMATELLIN                        ' non-polymer        77  35 .
SIH      SIH 'PROGESTERONE-11-ALPHA-OL-HEMISUCCINA' non-polymer        64  31 .
SII      SII 'N-(4-{[4-(cyclohexylamino)-1-(3-fluo' non-polymer        70  36 .
SIL      SIL '[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL' non-polymer        41  18 .
SIM      SIM 'Simvastatin acid                    ' non-polymer        70  31 .
SIN      SIN 'SUCCINIC ACID                       ' non-polymer        12   8 .
SIO      SIO '"methyl 4,9-di-O-acetyl-5-(acetylami' non-polymer        52  28 .
SJ1      SJ1 'N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S' non-polymer        61  29 .
SK1      SK1 'N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AMI' non-polymer        59  32 .
SK2      SK2 '"(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3' non-polymer        50  29 .
SK3      SK3 '(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCL' non-polymer        34  17 .
SK4      SK4 '4-[(3-methoxyphenyl)amino]-6-(methyl' non-polymer        43  26 .
SKA      SKA '7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQU' non-polymer        21  12 .
SKD      SKD '"2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHY' non-polymer        36  20 .
SKF      SKF '1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SU' non-polymer        26  14 .
SKM      SKM '(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-' non-polymer        21  12 .
SKP      SKP '"5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL' non-polymer        36  26 .
SKY      SKY '1-beta-D-glucopyranosyl-4-naphthalen' non-polymer        45  26 .
SL1      SL1 'N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO' non-polymer        76  43 .
SL2      SL2 '.                                   ' non-polymer        63  38 .
SL3      SL3 '.                                   ' non-polymer        63  38 .
SLA      SLA '(3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-' non-polymer        32  16 .
SLB      SLB '5-N-ACETYL-BETA-D-NEURAMINIC ACID   ' non-polymer        39  21 .
SLD      SLD '(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylam' non-polymer        65  37 .
SLE      SLE '2-(THIOMETHYLENE)-4-METHYLPENTANOIC ' non-polymer        23  10 .
SLF      SLF 'SULFATE-3-D-GALACTOSYL-BETA-1-1-N-ST' non-polymer       136  55 .
SLN      SLN '1-(4-AZIDO-2-NITROPHENYL)AMINO-3-(1-' non-polymer        64  38 .
SLP      SLP '3-selanylpropanoic acid             ' non-polymer        11   6 .
SLR      SLR '(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-' non-polymer        32  16 .
SLT      SLT '5-(ACETYLAMINO)-3,5-DIDEOXYNON-2-ULO' non-polymer        81  43 .
SLU      SLU '.                                   ' non-polymer        58  40 .
SLX      SLX '(13aS)-3,10-dimethoxy-5,8,13,13a-tet' non-polymer        45  24 .
SLZ      SLZ 'L-THIALYSINE                        ' peptide            21  10 .
SM1      SM1 'N-(BENZYLSULFONYL)-D-SERYL-N-(4-{[AM' non-polymer        61  33 .
SM2      SM2 '(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-C' non-polymer        35  22 .
SM3      SM3 '(1R)-1-(2-THIENYLACETYLAMINO)-1-PHEN' non-polymer        33  19 .
SM4      SM4 '"(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO' non-polymer        39  24 .
SM5      SM5 '"(1E)-5-(1-piperidin-4-yl-3-pyridin-' non-polymer        51  28 .
SM8      SM8 'SIMOCYCLINONE D8                    ' non-polymer       108  66 .
SMA      SMA 'STIGMATELLIN A                      ' non-polymer        79  37 .
SMB      SMB '2-METHYLBUTANOIC ACID               ' non-polymer        16   7 .
SMC      SMC 'S-METHYLCYSTEINE                    ' peptide            16   8 .
SM       SM  'SAMARIUM (III) ION                  ' non-polymer         1   1 .
SMD      SMD 'METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-' non-polymer        48  24 .
SME      SME 'METHIONINE SULFOXIDE                ' peptide            20  10 .
SMF      SMF '4-SULFOMETHYL-L-PHENYLALANINE       ' peptide            29  17 .
SMG      SMG 'N-SUCCINYL METHIONINE               ' non-polymer        29  16 .
SMI      SMI 'SPECTINOMYCIN                       ' non-polymer        50  24 .
SMK      SMK '(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutan' non-polymer        76  37 .
SML      SML 'PHENYL METHYL SULFONE               ' non-polymer        18  10 .
SMM      SMM 'S-ADENOSYLMETHIONINE METHYL ESTER   ' non-polymer        54  28 .
SMN      SMN '(S)-MANDELIC ACID                   ' non-polymer        18  11 .
SMO      SMO 'DIOXOSULFIDOMOLYBDENUM(VI) ION      ' non-polymer         4   4 .
SMP      SMP '2'-DEOXY-ADENOSINE-5'-SP-MONOMETHYLP' non-polymer        38  22 .
SMS      SMS '"SULFAMIC ACID 2,3-O-(1-METHYLETHYLI' non-polymer        37  22 .
SMT      SMT '2'-[(METHYLTHIO)ETHYLOXY]-THYMIDINE-' RNA                45  26 .
SMY      SMY '(2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-' non-polymer        56  30 .
SMZ      SMZ 'N~5~-[(E)-imino(methylsulfanyl)methy' non-polymer        27  13 .
SN0      SN0 'N-(3-CARBOXYPROPANOYL)-L-NORVALINE  ' non-polymer        28  15 .
SN1      SN1 '2,4-DIHYDROXY-TRANS CINNAMIC ACID   ' non-polymer        20  13 .
SN2      SN2 '5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DI' non-polymer        34  22 .
SN3      SN3 '.                                   ' non-polymer        87  44 .
SN5      SN5 '2-deoxy-2-(ethanethioylamino)-beta-D' non-polymer        30  15 .
SN6      SN6 '1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLI' non-polymer        62  35 .
SN7      SN7 '"4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINO' non-polymer        66  37 .
SN8      SN8 '1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDI' non-polymer        83  36 .
SN9      SN9 '8-METHOXY-1-METHYL-4-(4-(4-(1-METHYL' non-polymer        84  37 .
SNA      SNA '"N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETH' non-polymer        97  57 .
SNB      SNB '1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY' non-polymer        33  20 .
SNC      SNC 'S-NITROSO-CYSTEINE                  ' peptide            14   9 .
SND      SND 'THIONICOTINAMIDE-ADENINE-DINUCLEOTID' non-polymer        70  44 .
SNG      SNG 'METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SEL' non-polymer        33  16 .
SNH      SNH '.                                   ' non-polymer        44  28 .
SNI      SNI '9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TET' non-polymer        31  19 .
SNL      SNL 'SPIRONOLACTONE                      ' non-polymer        61  29 .
SNN      SNN 'L-3-AMINOSUCCINIMIDE                ' non-polymer        14   8 .
SNO      SNO '(S)-PARA-NITROSTYRENE OXIDE         ' non-polymer        19  12 .
SNP      SNP '1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)' non-polymer        40  19 .
SNR      SNR 'NORBIOTIN                           ' non-polymer        28  15 .
SNS      SNS '3,6-bis(3-(3'-(S)-fluoropyrrolindino' non-polymer        67  36 .
SNX      SNX '2-[(2-methoxyethyl)amino]-4-(4-oxo-1' non-polymer        51  28 .
SO1      SO1 '.                                   ' non-polymer        76  35 .
SO2      SO2 'SULFUR DIOXIDE                      ' non-polymer         3   3 .
SO3      SO3 'SULFITE ION                         ' non-polymer         4   4 .
SO4      SO4 'SULFATE ION                         ' non-polymer         5   5 .
SOA      SOA 'ISATOIC ANHYDRIDE                   ' non-polymer        18   9 .
SOC      SOC 'DIOXYSELENOCYSTEINE                 ' peptide            15   9 .
SOD      SOD '.                                   ' non-polymer        74  36 .
SOG      SOG '2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETR' non-polymer        48  20 .
SOH      SOH 'HYDROGEN SULFATE                    ' non-polymer         6   5 .
SON      SON 'ADENOSINE PHOSPHONOACETIC ACID      ' non-polymer        42  26 .
SOO      SOO '"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimeth' non-polymer        64  31 .
SOP      SOP '.                                   ' non-polymer        88  52 .
SOR      SOR 'D-SORBITOL                          ' non-polymer        26  12 .
SOS      SOS '"[(1R,2S,4R)-4-({2-AMINO-5-[BENZYL(F' DNA                53  31 .
SOT      SOT 'morpholine-4-sulfonic acid          ' non-polymer        19  10 .
SOX      SOX 'N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)-4-' non-polymer        43  24 .
SOY      SOY 'OXACILLIN-ACYLATED SERINE           ' peptide            59  35 .
SP0      SP0 '3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-' non-polymer        41  28 .
SP1      SP1 '6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETR' non-polymer        34  22 .
SP2      SP2 '3,4-DIHYDROSPHEROIDENE              ' non-polymer       104  42 .
SP3      SP3 'N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-' non-polymer        47  35 .
SP5      SP5 'N-[3-({4-[(3-aminopropyl)amino]butyl' non-polymer        45  17 .
SP6      SP6 '"BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYD' non-polymer        44  28 .
SP7      SP7 'N-{(1S)-3-[(4-aminobutyl)amino]-1-me' non-polymer        37  14 .
SP8      SP8 'N-{(1S)-3-[(4-aminobutyl)amino]-1-me' non-polymer        44  19 .
SP9      SP9 'N-{(1R)-3-[(4-aminobutyl)amino]-1-me' non-polymer        44  19 .
SPA      SPA 'THIOPHENEACETIC ACID                ' non-polymer        14   9 .
SPB      SPB '4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC' non-polymer        41  23 .
SPC      SPC '"N-HYDROXY 1N(4-METHOXYPHENYL)SULFON' non-polymer        42  23 .
SPD      SPD 'SPERMIDINE                          ' non-polymer        29  10 .
SPE      SPE 'THERMINE                            ' non-polymer        37  13 .
SPF      SPF 'SINAPOYL COENZYME A                 ' non-polymer       103  63 .
SPH      SPH 'SPHINGOSINE                         ' non-polymer        58  21 .
SPI      SPI 'N-HYDROXY-1-(4-METHOXYPHENYL)SULFONY' non-polymer        54  31 .
SPJ      SPJ '(3R,3'R)-N~1~,N~1~'-butane-1,4-diyld' non-polymer        46  16 .
SPK      SPK 'SPERMINE (FULLY PROTONATED FORM)    ' non-polymer        44  14 .
SPL      SPL 'OCTANOIC ACID (2-HYDROXY-1-HYDROXYME' non-polymer        81  30 .
SPM      SPM 'SPERMINE                            ' non-polymer        40  14 .
SPN      SPN 'SPEROIDENONE                        ' non-polymer       113  43 .
SPO      SPO 'SPHEROIDENE                         ' non-polymer       102  42 .
SPP      SPP '(1-(5-METHANSULPHONAMIDO-1H-INDOL-2-' non-polymer        60  32 .
SPQ      SPQ '"(3R,4S,5R)-5-{[(1R)-1-CARBOXY-2-FLU' non-polymer        36  27 .
SPR      SPR 'SPIRAMYCIN I                        ' non-polymer       133  59 .
SPS      SPS 'SPARSOMYCIN                         ' non-polymer        42  23 .
SPT      SPT '.                                   ' non-polymer        36  21 .
SPU      SPU '2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydro' non-polymer        80  31 .
SPV      SPV 'SULFOPYRUVATE                       ' non-polymer        13  10 .
SPW      SPW 'N,N'-BIS(3-AMMONIOPROPYL)BUTANE-1,4-' non-polymer        64  24 .
SPX      SPX 'SPHINXOLIDE B                       ' non-polymer       153  68 .
SPY      SPY 'pyridine-4-sulfonic acid            ' non-polymer        15  10 .
SPZ      SPZ '(3S,3'S)-N~1~,N~1~'-butane-1,4-diyld' non-polymer        46  16 .
SQA      SQA '2-AZASQUALENE                       ' non-polymer        81  30 .
SQ       SQ  '3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTA' non-polymer        23  11 .
SQD      SQD '1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-A' non-polymer       132  54 .
SQO      SQO '2-{[2-(4-Morpholinyl)ethyl]amino}-1,' non-polymer        41  23 .
SQU      SQU '2,10,23-TRIMETHYL-TETRACOSANE       ' non-polymer        83  27 .
SQX      SQX '13-DESMETHYL SPIROLIDE C            ' non-polymer       113  50 .
SR1      SR1 '5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANO' non-polymer        23  11 .
SR2      SR2 '(2E)-N-{4-[(3-bromophenyl)amino]quin' non-polymer        47  27 .
SRA      SRA '.                                   ' non-polymer        37  23 .
SRB      SRB 'L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORO' non-polymer        37  20 .
SR       SR  'STRONTIUM ION                       ' non-polymer         1   1 .
SRD      SRD 'D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORO' non-polymer        37  20 .
SRE      SRE '(1S,4S)-4-(3,4-dichlorophenyl)-N-met' non-polymer        37  20 .
SRG      SRG '"(2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-di' non-polymer        73  35 .
SRI      SRI '(2Z)-3-HYDROXY-2-IMINOPROPANOIC ACID' non-polymer        11   7 .
SRL      SRL '"[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHE' non-polymer        75  33 .
SRM      SRM 'SIROHEME                            ' non-polymer        97  63 .
SRN      SRN 'SORANGICIN A                        ' non-polymer       123  58 .
SRO      SRO 'SEROTONIN                           ' non-polymer        25  13 .
SRP      SRP 'SERYL ADENYLATE                     ' non-polymer        47  29 .
SRS      SRS '4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO' non-polymer        72  33 .
SRT      SRT 'S,R MESO-TARTARIC ACID              ' non-polymer        14  10 .
SRY      SRY 'STREPTOMYCIN                        ' non-polymer        79  40 .
SS1      SS1 '1-PHENYLETHANOL                     ' non-polymer        19   9 .
SS2      SS2 '(1R)-1-PHENYLETHANOL                ' non-polymer        19   9 .
SS3      SS3 '(2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL' non-polymer        49  27 .
SS4      SS4 '3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,' non-polymer        49  28 .
SS5      SS5 '(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]' non-polymer        69  35 .
SS6      SS6 '1-{3-[(6-aminoquinazolin-4-yl)amino]' non-polymer        68  38 .
SSA      SSA '5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSIN' non-polymer        48  29 .
SSB      SSB '3-BUTYLTHIOLANE 1-OXIDE             ' non-polymer        26  10 .
SSC      SSC '(2S,5S)-5-CARBOXYMETHYLPROLINE      ' non-polymer        21  12 .
SSD      SSD '"1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDR' non-polymer        39  20 .
SSE      SSE '"1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDR' non-polymer        39  20 .
SSG      SSG '1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYR' pyranose           24  12 .
SSH      SSH '3-DEOXY-D-ARABINO-HEXONIC ACID      ' non-polymer        23  12 .
SSL      SSL '"(3-{[2-(DIHYDROXYAMINO)-4-(2LAMBDA~' non-polymer        66  39 .
SSM      SSM '(2S)-2-(acetylamino)-N-methyl-4-[(S)' non-polymer        30  14 .
SSO      SSO '"1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDR' non-polymer        39  20 .
SSP      SSP 'DITHIOBIS-(PROPANE)                 ' non-polymer        22   8 .
SSR      SSR '2-(3-fluoro-2-methylbenzyl)-4-methyl' non-polymer        62  34 .
SSS      SSS '"N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D' non-polymer        45  30 .
SSU      SSU 'URIDINE-5'-PHOSPHOROTHIOATE         ' non-polymer        34  21 .
SSV      SSV '(3E,5E,7E,9E,11E,13E)-pentadeca-3,5,' non-polymer        34  16 .
ST1      ST1 '4-(ACETYLAMINO)-3-HYDROXY-5-NITROBEN' non-polymer        24  17 .
ST2      ST2 '4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBEN' non-polymer        24  15 .
ST3      ST3 '4-(ACETYLAMINO)-3-AMINO BENZOIC ACID' non-polymer        23  14 .
ST4      ST4 '4-(ACETYLAMINO)-3-GUANIDINOBENZOIC A' non-polymer        30  17 .
ST5      ST5 '4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AM' non-polymer        29  18 .
ST6      ST6 '4-(ACETYLAMINO)-3-[(AMINOACETYL)AMIN' non-polymer        31  18 .
ST8      ST8 '4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-' non-polymer        49  27 .
ST9      ST9 'STEAROYL-COENZYME A                 ' non-polymer       135  67 .
STA      STA 'STATINE                             ' non-polymer        28  12 .
STB      STB '4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUT' non-polymer        39  20 .
STC      STC '3-[(4-CHLOROANILINO)SULFONYL]THIOPHE' non-polymer        26  19 .
STD      STD 'STREPTOLYDIGIN                      ' non-polymer        87  43 .
STE      STE 'STEARIC ACID                        ' non-polymer        55  20 .
STF      STF '(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHY' non-polymer        26  18 .
STG      STG 'ESTRIOL 3-(B-D-GLUCURONIDE)         ' non-polymer        64  33 .
STH      STH '2-AMINO-4H-1,3-BENZOXATHIIN-4-OL    ' non-polymer        21  12 .
STI      STI '4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-' non-polymer        68  37 .
STJ      STJ '3-(6-{[4-(trifluoromethoxy)phenyl]am' non-polymer        40  27 .
STL      STL 'RESVERATROL                         ' non-polymer        29  17 .
STN      STN '2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-M' non-polymer        27  13 .
STP      STP '.                                   ' non-polymer        43  30 .
STR      STR 'PROGESTERONE                        ' non-polymer        53  23 .
STS      STS '2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H' non-polymer        35  19 .
STT      STT '"2-(5-methyl-4-oxo-2-thioxo-2,4-dihy' non-polymer        23  14 .
STU      STU 'STAUROSPORINE                       ' non-polymer        61  35 .
STX      STX '1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL' non-polymer        29  14 .
STZ      STZ 'STREPTOZOTOCIN                      ' non-polymer        33  18 .
SU1      SU1 '3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRRO' non-polymer        37  22 .
SU2      SU2 '3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYL' non-polymer        46  25 .
SU9      SU9 '(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5' non-polymer        29  18 .
SUA      SUA '(4-SULFAMOYL-PHENYL)-THIOCARBAMIC AC' non-polymer        35  21 .
SUB      SUB '"3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)' non-polymer        60  32 .
SUC      SUC 'SUCROSE                             ' pyranose           45  23 .
SUD      SUD '4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYT' non-polymer        59  37 .
SUF      SUF '[2-(DIMETHYL-LAMBDA~4~-SULFANYL)-1-H' non-polymer        28  14 .
SUG      SUG 'N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE' non-polymer        35  19 .
SUI      SUI '(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)AC' non-polymer        19  12 .
SUJ      SUJ '(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY' non-polymer        31  16 .
SUM      SUM '"2-[3,4-DIHYDROXY-2-HYDROXYMETHYL-5-' non-polymer        69  31 .
SUN      SUN 'O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPH' peptide            31  15 .
SUO      SUO 'N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHIN' non-polymer        30  16 .
SUP      SUP 'SUCROSE-6-PHOSHPATE                 ' pyranose           48  27 .
SUR      SUR '1-(BETA-D-RIBOFURANOSYL)-2-THIO-URAC' RNA                32  21 .
SUS      SUS '2-deoxy-3,6-di-O-sulfo-2-(sulfoamino' pyranose           37  24 .
SUW      SUW 'ME-A-9-N-(NAPHTHYL-2-CARBONYL)-AMINO' non-polymer        61  34 .
SUZ      SUZ '"[(1Z)-5-fluoro-1-({4-[(R)-hydroxy(m' non-polymer        43  25 .
SVA      SVA 'SERINE VANADATE                     ' peptide            18  12 .
SVC      SVC 'N-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(' non-polymer        70  30 .
SVR      SVR '.                                   ' non-polymer       126  86 .
SVV      SVV 'O-[(S)-AMINO(HYDROXY)PHOSPHORYL]-L-S' non-polymer        19  11 .
SVW      SVW 'O-[(R)-AMINO(HYDROXY)PHOSPHORYL]-L-S' non-polymer        19  11 .
SVX      SVX 'O-[(R)-ETHOXY(METHYL)PHOSPHORYL]-L-S' non-polymer        26  13 .
SVY      SVY 'O-[BIS(1-METHYLETHOXY)PHOSPHORYL]-L-' non-polymer        36  17 .
SVZ      SVZ 'O-[(S)-HYDROXY(ISOPROPYLAMINO)PHOSPH' peptide            28  14 .
SWA      SWA '1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,' non-polymer        27  12 .
SWE      SWE 'alpha-D-fructofuranosyl alpha-D-gluc' non-polymer        45  23 .
SWF      SWF 'S-WARFARIN                          ' non-polymer        39  23 .
SWI      SWI 'SWINHOLIDE A                        ' non-polymer       230  98 .
SX1      SX1 '2-amino-5-bromobenzoic acid         ' non-polymer        16  11 .
SX2      SX2 '4-[(5-bromopyridin-2-yl)amino]-4-oxo' non-polymer        23  15 .
SX3      SX3 '4-bromo-2-{[(3R,5S)-3,5-dimethylpipe' non-polymer        37  18 .
SX4      SX4 '4-bromo-2-{[(2R)-2-(2-chlorobenzyl)p' non-polymer        41  23 .
SX5      SX5 '"4-[(4-bromo-2-{[(3R,5S)-3,5-dimethy' non-polymer        47  25 .
SX6      SX6 'N-(4-bromo-2-{[(3R,5S)-3,5-dimethylp' non-polymer        60  30 .
SX7      SX7 '2-amino-5-[3-(1-ethyl-1H-pyrazol-5-y' non-polymer        50  28 .
SX8      SX8 '6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2' non-polymer        39  26 .
SXA      SXA '"THIOACETIC ACID S-{2-[3-(2-HYDROXY-' non-polymer        48  25 .
SXC      SXC 'bromo(4-{3-[(R)-ethoxy(4-nitrophenox' non-polymer        61  32 .
SX       SX  'SULFUR OXIDE                        ' non-polymer         2   2 .
SXD      SXD 'N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl' non-polymer        59  30 .
SXE      SXE 'O-{(S)-ETHOXY[(1-METHYLETHYL)AMINO]P' peptide            34  16 .
SXH      SXH '"S-[2-({N-[(2S)-2-hydroxy-3,3-dimeth' non-polymer        60  29 .
SXK      SXK '.                                   ' non-polymer        28  19 .
SXM      SXM '"3-{[2-({N-[(2S)-2-hydroxy-3,3-dimet' non-polymer        50  28 .
SXN      SXN 'Salinixanthin                       ' non-polymer       162  70 .
SXO      SXO '"S-[2-({N-[(2S)-2-hydroxy-3,3-dimeth' non-polymer        66  31 .
SXV      SXV 'N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-' non-polymer        54  27 .
SXX      SXX 'SINAPINATE                          ' non-polymer        27  16 .
SY1      SY1 '2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4' non-polymer        48  27 .
SY2      SY2 'N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-m' non-polymer        75  35 .
SYB      SYB '"4-[4-(DIMETHYLAMINO)-N-METHYL-L-PHE' non-polymer       140  73 .
SYM      SYM '2S,4R-4-METHYLGLUTAMATE             ' non-polymer        20  11 .
SYO      SYO '"[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-' non-polymer        66  31 .
SYR      SYR 'SYRINGATE                           ' non-polymer        27  15 .
SYS      SYS '3-[(2-amino-2-oxoethyl)selanyl]-L-al' non-polymer        20  11 .
SZH      SZH '"(2S,6E)-8-{[(R)-hydroxy(phosphonoox' non-polymer        51  29 .
T03      T03 '3-[(4-fluorobenzyl)sulfanyl]-4H-1,2,' non-polymer        22  14 .
T07      T07 '5-[(2,4-dichlorobenzyl)sulfanyl]-4H-' non-polymer        24  16 .
T10      T10 '"[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYL' non-polymer        62  34 .
T11      T11 '4-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-3-Y' peptide            30  19 .
T12      T12 '1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZO' non-polymer        56  32 .
T13      T13 '2,3,4,5,6-pentafluoro-N-(3-fluoro-4-' non-polymer        31  24 .
T15      T15 '2-{3-[(benzylsulfonyl)amino]-6-methy' non-polymer        72  38 .
T16      T16 'BOROLOG2                            ' non-polymer        67  35 .
T18      T18 'N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-' non-polymer        57  38 .
T19      T19 'PHENYLMETHYLENECARBOXY-(METHYLENEAMI' non-polymer        76  42 .
T1A      T1A 'TETRAETHYLARSONIUM ION              ' non-polymer        29   9 .
T1D      T1D '5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THI' non-polymer        36  22 .
T1N      T1N '(2S)-2-[6-(methylsulfanyl)naphthalen' non-polymer        30  17 .
T1P      T1P '"3-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4' non-polymer        48  29 .
T22      T22 '2-({6-[(3R)-3-aminopiperidin-1-yl]-3' non-polymer        46  25 .
T23      T23 '2'-O-METHYL-3'-METHYL-3'-DEOXY-ARABI' non-polymer        40  23 .
T24      T24 '(9Z,11E,13S,15Z)-13-hydroxyoctadeca-' non-polymer        50  21 .
T25      T25 '(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl' non-polymer        52  21 .
T27      T27 '4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-d' non-polymer        46  28 .
T29      T29 'TRI166 (BIFUNCTIONAL BORONATE INHIBI' non-polymer        68  34 .
T2A      T2A '5-methyl-7-phenyl-N-(3,4,5-trimethox' non-polymer        50  29 .
T2D      T2D '1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXI' non-polymer        22  14 .
T2M      T2M 'TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINE' non-polymer        25  12 .
T2P      T2P '"3-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4' non-polymer        48  29 .
T2S      T2S 'THYMIDINE-5'-DITHIOPHOSPHORATE      ' non-polymer        36  21 .
T2T      T2T '.                                   ' DNA                78  44 .
T30      T30 '3-[1-(4-fluorophenyl)cyclopropyl]-4-' non-polymer        48  29 .
T32      T32 '.                                   ' non-polymer        39  22 .
T33      T33 '3,3'-DEIODO-THYROXINE               ' non-polymer        34  22 .
T38      T38 '.                                   ' non-polymer        45  26 .
T39      T39 '.                                   ' non-polymer        45  26 .
T3A      T3A 'N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMIN' non-polymer        32  15 .
T3       T3  '3,5,3'TRIIODOTHYRONINE              ' non-polymer        34  23 .
T3F      T3F '"(3R,4S,5R,6R)-4-amino-3,5-dihydroxy' non-polymer        60  35 .
T3M      T3M '4-[3-amino-6-(3,4,5-trimethoxyphenyl' non-polymer        46  28 .
T3O      T3O '4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXAB' non-polymer        41  19 .
T3P      T3P 'THYMIDINE-3'-PHOSPHATE              ' non-polymer        34  21 .
T3Q      T3Q '"[(3R,4S,5S,6R)-4-amino-3,5-dihydrox' non-polymer        60  35 .
T3S      T3S '5'-deoxy-5'-piperidin-1-ylthymidine ' non-polymer        45  22 .
T41      T41 '.                                   ' non-polymer        38  23 .
T42      T42 'MORPHOLINO-DIPHENYLALANINE-METHOXYPR' non-polymer        81  42 .
T44      T44 '3,5,3',5'-TETRAIODO-L-THYRONINE     ' non-polymer        34  24 .
T45      T45 'METHYL 2H-1,2,3-TRIAZOLE-4-CARBOXYLA' non-polymer        14   9 .
T48      T48 '.                                   ' non-polymer        37  22 .
T49      T49 '.                                   ' non-polymer        34  21 .
T4A      T4A '.                                   ' non-polymer        29  22 .
T4B      T4B '.                                   ' non-polymer        61  36 .
T4K      T4K '.                                   ' non-polymer        81  50 .
T4P      T4P '"3-{2,6,8-TRIOXO-9-[(2R,3R,4R)-2,3,4' non-polymer        48  29 .
T4S      T4S '"1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERY' DNA                34  21 .
T50      T50 '1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUO' non-polymer        41  27 .
T55      T55 '8-methylnonanamide                  ' non-polymer        33  12 .
T5A      T5A 'P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENT' non-polymer        80  55 .
T5C      T5C '2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-S' non-polymer        89  50 .
T5M      T5M '2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOIN' non-polymer        43  22 .
T5O      T5O '.                                   ' DNA                35  22 .
T5P      T5P '"3-{2,6,8-TRIOXO-9-[(2S,3S,4R)-2,3,4' non-polymer        48  29 .
T5S      T5S '.                                   ' DNA                35  22 .
T5X      T5X '2-C-{3-[(4-amino-2-methylpyrimidin-5' non-polymer        65  40 .
T66      T66 '2-AMINOETHYLLYSINE-CARBONYLMETHYLENE' non-polymer        49  25 .
T6A      T6A 'N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)' RNA                51  33 .
T6F      T6F '2-C-{3-[(4-amino-2-methylpyrimidin-5' non-polymer        69  42 .
T6P      T6P 'TREHALOSE-6-PHOSPHATE               ' pyranose           48  27 .
T74      T74 'N~3~-(2,6-dimethylphenyl)-1-(3-metho' non-polymer        76  38 .
T76      T76 '(6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3' non-polymer        68  35 .
T80      T80 'METHYLPENTA(OXYETHYL) HEPTADECANOATE' non-polymer        94  36 .
T87      T87 '"[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO' non-polymer        70  39 .
T8N      T8N '(2E)-2-(2-methoxy-2-oxoethyl)but-2-e' non-polymer        19  13 .
T95      T95 'N-(2,6-dimethylphenyl)-4-(2-ethoxyph' non-polymer        81  43 .
T98      T98 '5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO' non-polymer        36  21 .
T9T      T9T 'triphenylstannanyl                  ' non-polymer        34  19 .
TA1      TA1 'TAXOL                               ' non-polymer       113  62 .
TA2      TA2 '(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-' non-polymer        25  12 .
TA3      TA3 '"(4S,5R)-3-(2-DEOXY-5-O-PHOSPHONO-BE' DNA                35  20 .
TA4      TA4 '(S)-2-[4-(AMINOMETHYL)-1H-1,2,3-TRIA' non-polymer        30  15 .
TA5      TA5 '2H-1,2,3-TRIAZOL-4-YLMETHANOL       ' non-polymer        12   7 .
TA6      TA6 '6-O-PHOSPHONO-BETA-D-TAGATOFURANOSE ' non-polymer        27  16 .
TA9      TA9 '9-oxo-N-[[(2R,3R,4R,5R,6S)-3,4,5-tri' non-polymer        50  28 .
TAA      TAA '"[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BE' non-polymer        58  37 .
TAB      TAB '"ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-' non-polymer        59  33 .
TAC      TAC 'TETRACYCLINE                        ' non-polymer        56  32 .
TAD      TAD 'BETA-METHYLENE-THIAZOLE-4-CARBOXYAMI' non-polymer        70  43 .
TAF      TAF '.                                   ' DNA                34  22 .
TAG      TAG 'D-tagatose                          ' non-polymer        24  12 .
TAK      TAK '6-[4-(2-piperidin-1-ylethoxy)phenyl]' non-polymer        55  30 .
TAL      TAL '9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-' non-polymer        36  20 .
TAM      TAM 'TRIS(HYDROXYETHYL)AMINOMETHANE      ' non-polymer        28  11 .
TAN      TAN '2,2-dimethylpropanenitrile          ' non-polymer        15   6 .
TAO      TAO 'TROLEANDOMYCIN                      ' non-polymer       124  57 .
TAP      TAP '7-THIONICOTINAMIDE-ADENINE-DINUCLEOT' non-polymer        73  48 .
TAQ      TAQ '2,4,6-TRIAMINOQUINAZOLINE           ' non-polymer        22  13 .
TAR      TAR 'D(-)-TARTARIC ACID                  ' non-polymer        14  10 .
TAS      TAS 'TRIHYDROXYARSENITE(III)             ' non-polymer         7   4 .
TAT      TAT 'ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPH' non-polymer        44  31 .
TAU      TAU '2-AMINOETHANESULFONIC ACID          ' non-polymer        14   7 .
TAV      TAV '"N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)' non-polymer        70  46 .
TAX      TAX '(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-P' non-polymer        58  28 .
TAY      TAY '2,2-dimethylpropanamide             ' non-polymer        18   7 .
TAZ      TAZ 'TAZOBACTAM                          ' non-polymer        31  20 .
TB0      TB0 'tert-butyl isocyanide               ' non-polymer        15   6 .
TB1      TB1 '(3S)-3-(BENZYLOXY)-L-ASPARTIC ACID  ' non-polymer        28  17 .
TB9      TB9 '4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-' non-polymer        41  21 .
TBA      TBA 'TETRABUTYLAMMONIUM ION              ' non-polymer        53  17 .
TBC      TBC '(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYD' non-polymer        37  21 .
TB       TB  'TERBIUM(III) ION                    ' non-polymer         1   1 .
TBD      TBD '2*-DEOXY-THYMIDINE-5*-ALPHA BORANO D' non-polymer        42  25 .
TBE      TBE 'TAZOBACTAM INTERMEDIATE             ' non-polymer        33  20 .
TBF      TBF 'TERT-BUTYL FORMATE                  ' non-polymer        17   7 .
TBG      TBG 'T-BUTYL GLYCINE                     ' peptide            21   9 .
TBH      TBH '"5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHY' non-polymer        88  43 .
TBI      TBI 'TAZOBACTAM TRANS-ENAMINE INTERMEDIAT' non-polymer        33  20 .
TBL      TBL 'N-[(4-methoxyphenyl)sulfonyl]-D-alan' non-polymer        29  17 .
TBM      TBM '4-METHYL-4-[(E)-2-BUTENYL]-4,N-DIMET' non-polymer        35  15 .
TBN      TBN '"'2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN' non-polymer        33  19 .
TBO      TBO '5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-' non-polymer        41  21 .
TBP      TBP '2,4,6-TRIBROMOPHENOL                ' non-polymer        13  10 .
TBR      TBR 'HEXATANTALUM DODECABROMIDE          ' non-polymer        18  18 .
TBS      TBS '4,5,6,7-TETRABROMOBENZOTRIAZOLE     ' non-polymer        14  13 .
TBT      TBT '8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRAC' non-polymer        37  21 .
TBU      TBU 'TERTIARY-BUTYL ALCOHOL              ' non-polymer        15   5 .
TBV      TBV '"3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETH' non-polymer        91  47 .
TBY      TBY 'tributylstannanyl                   ' non-polymer        40  13 .
TBZ      TBZ '2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-P' non-polymer        70  41 .
TC1      TC1 '3-(5-PHOSPHO-2-DEOXY-BETA-D-RIBOFURA' DNA                41  27 .
TC2      TC2 'N-{2-[bis(2-{[(2,3-dihydroxyphenyl)c' non-polymer        69  40 .
TC3      TC3 'ETHYL HYDROGEN METHYLAMIDOPHOSPHATE ' non-polymer        18   8 .
TC4      TC4 'BUTYL-PHOSPHINIC ACID 2,3-BIS-BUTYLC' non-polymer        61  26 .
TC5      TC5 'ETHYL HYDROGEN PROPYLAMIDOPHOSPHATE ' non-polymer        24  10 .
TC7      TC7 '2,4,5-trichlorophenol               ' non-polymer        13  10 .
TC8      TC8 '3-(2,6-difluorophenyl)-2-(methylthio' non-polymer        31  21 .
TCA      TCA 'PHENYLETHYLENECARBOXYLIC ACID       ' non-polymer        18  11 .
TCB      TCB 'THIOCELLOBIOSE                      ' saccharide         45  23 .
TCC      TCC '2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL ' non-polymer        25  16 .
TCD      TCD '3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRI' non-polymer        32  24 .
TCE      TCE '.                                   ' non-polymer        28  16 .
TCF      TCF '3-(4-BROMOPHENYL)PROPANAMIDE        ' non-polymer        22  12 .
TCH      TCH 'TAUROCHOLIC ACID                    ' non-polymer        80  35 .
TCI      TCI '(6aR,10aR)-6,6,9-trimethyl-3-pentyl-' non-polymer        53  23 .
TCK      TCK 'N-[(1S)-5-amino-1-(chloroacetyl)pent' non-polymer        42  21 .
TCL      TCL 'TRICLOSAN                           ' non-polymer        24  17 .
TCM      TCM 'THIOCAMPHOR                         ' non-polymer        27  11 .
TCN      TCN 'TETRACYANONICKELATE ION             ' non-polymer         9   9 .
TCO      TCO 'TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETH' non-polymer        40  17 .
TCP      TCP '5'-METHYLTHYMIDINE                  ' non-polymer        34  18 .
TCQ      TCQ '"3-((3E)-4-(HYDROXYMETHYL)-6-OXO-3-{' non-polymer        42  24 .
TCR      TCR 'CYCLOMETHYLTRYPTOPHAN               ' non-polymer        27  16 .
TCT      TCT '6-(4-CHLORO-2-HYDROXY-PHENOXY)-NAPHT' non-polymer        31  20 .
TCU      TCU '5-HEXYL-2-(2-METHYLPHENOXY)PHENOL   ' non-polymer        45  21 .
TCX      TCX 'ethylphosphoramidic acid            ' non-polymer        15   7 .
TCY      TCY '"(2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-' non-polymer        39  25 .
TCZ      TCZ '1,3,5-TRICHLORO-BENZENE             ' non-polymer        12   9 .
TD3      TD3 '2-[hydroxy(4-hydroxybutyl)amino]-2-o' non-polymer        27  15 .
TD4      TD4 '4-{hydroxy[(phosphonooxy)acetyl]amin' non-polymer        30  19 .
TDA      TDA 'N-TRIDECANOIC ACID                  ' non-polymer        40  15 .
TDB      TDB '6-METHYL-2(PROPANE-1-SULFONYL)-2H-TH' non-polymer        30  17 .
TDC      TDC '5A,6-ANHYDROTETRACYCLINE            ' non-polymer        53  31 .
TDD      TDD '(2R)-2-amino-3,3-dimethyl-butanoic a' peptide            21   9 .
TDE      TDE '"(E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-' non-polymer        59  27 .
TDG      TDG 'THIODIGALACTOSIDE                   ' saccharide         45  23 .
TDI      TDI '(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D' non-polymer        39  20 .
TDK      TDK '3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        57  34 .
TDL      TDL '3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        51  32 .
TDM      TDM '"2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMID' non-polymer        48  29 .
TDO      TDO 'DTDP-4-KETO-L-RHAMNOSE              ' non-polymer        57  35 .
TDP      TDP 'THIAMIN DIPHOSPHATE                 ' non-polymer        42  26 .
TDR      TDR 'THYMINE                             ' non-polymer        15   9 .
TDS      TDS '8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-T' non-polymer        68  30 .
TDT      TDT '"1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-' non-polymer       114  70 .
TDX      TDX 'THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE' non-polymer        56  34 .
TDY      TDY '.                                   ' DNA                41  23 .
TDZ      TDZ '(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-T' non-polymer        58  31 .
TE1      TE1 '"(2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy' non-polymer        39  20 .
TEA      TEA 'TRIETHYLAMMONIUM ION                ' non-polymer        23   7 .
TEB      TEB '"(4R,5S)-3-(1-(4,5-dihydrothiazol-2-' non-polymer        47  25 .
TE       TE  'TELLURIUM                           ' non-polymer         1   1 .
TEE      TEE '2-AMINO-ETHENETHIOL                 ' non-polymer         9   4 .
TEF      TEF '4-(2H-tetrazol-2-yl)-L-phenylalanine' peptide            27  17 .
TEI      TEI '2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-MET' non-polymer        37  22 .
TEJ      TEJ '(1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-' non-polymer        69  31 .
TEL      TEL 'TELITHROMYCIN                       ' non-polymer       123  58 .
TEM      TEM 'N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-T' non-polymer        22  11 .
TEN      TEN 'TRIETHYL PHOSPHATE                  ' non-polymer        26  11 .
TEO      TEO 'MALATE LIKE INTERMEDIATE            ' non-polymer        13   9 .
TEP      TEP 'THEOPHYLLINE                        ' non-polymer        21  13 .
TER      TER 'N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)' non-polymer        40  14 .
TES      TES 'TESTOSTERONE                        ' non-polymer        49  21 .
TET      TET '"URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCO' non-polymer        76  50 .
TF1      TF1 '4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3' non-polymer        47  27 .
TF2      TF2 '(N-{4-[(ETHYLANILINO)SULFONYL]-2-MET' non-polymer        50  29 .
TF3      TF3 'N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-I' non-polymer        50  25 .
TF4      TF4 'DICHLORO-ACETIC ACID                ' non-polymer         7   6 .
TF5      TF5 '2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)' non-polymer        30  19 .
TF6      TF6 '4-(3-{[5-(trifluoromethyl)pyridin-2-' non-polymer        46  27 .
TFA      TFA 'trifluoroacetic acid                ' non-polymer         7   7 .
TFB      TFB 'TETRAHYDROFURAN-2-CARBOXYLIC ACID   ' non-polymer        15   8 .
TFC      TFC '1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE' non-polymer        35  16 .
TFE      TFE '.                                   ' DNA                41  27 .
TFG      TFG '2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-' non-polymer        45  29 .
TFI      TFI '2-[5-METHANESULFONYLAMINO-2-(4-AMINO' non-polymer        55  33 .
TFK      TFK '"3-[[(METHYLAMINO)SULFONYL]AMINO]-2-' non-polymer        56  33 .
TFL      TFL '2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROX' non-polymer        37  20 .
TFM      TFM 'S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL' non-polymer        27  16 .
TFO      TFO '[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLE' non-polymer        33  19 .
TFP      TFP '10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROP' non-polymer        52  28 .
TFQ      TFQ '4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALA' non-polymer        28  17 .
TFS      TFS 'trifluoromethanesulfonic acid       ' non-polymer         9   8 .
TFT      TFT '(L)-ALPHA-THREOFURANOSYL-THYMINE-3'-' non-polymer        31  20 .
TFX      TFX '2-[4-(dimethylamino)phenyl]-3,6-dime' non-polymer        39  20 .
TG1      TG1 '.                                   ' non-polymer        96  46 .
TGC      TGC '3-thiaglutaryl-CoA                  ' non-polymer        91  56 .
TGF      TGF '"2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO' non-polymer        85  52 .
TGG      TGG 'GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL' non-polymer        45  28 .
TGL      TGL 'TRISTEAROYLGLYCEROL                 ' non-polymer       173  63 .
TGN      TGN '"3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8' non-polymer        45  23 .
TGP      TGP '.                                   ' non-polymer        37  23 .
TGT      TGT 'TAGETITOXIN                         ' non-polymer        40  26 .
TGU      TGU 'TRIGALACTURONIC ACID                ' non-polymer        60  37 .
TH0      TH0 '4-MERCAPTOBENZENE-1,3-DIOL          ' non-polymer        15   9 .
TH1      TH1 '2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-B' pyranose           38  21 .
TH2      TH2 'TESTOSTERONE HEMISUCCINATE          ' non-polymer        59  28 .
TH3      TH3 'TRANS DELTA2 PALMITENOYL-COENZYMEA  ' non-polymer       125  65 .
TH4      TH4 '{(2Z)-3-[(6-chloropyridin-3-yl)methy' non-polymer        25  16 .
TH5      TH5 'O-acetyl-L-threonine                ' non-polymer        21  11 .
TH6      TH6 '4-HYDROXY-L-THREONINE               ' peptide            17   9 .
TH7      TH7 '2,4-dihydroxybenzenesulfenic acid   ' non-polymer        16  10 .
TH8      TH8 'THIAMPHENICOL                       ' non-polymer        36  21 .
THA      THA 'TACRINE                             ' non-polymer        29  15 .
THC      THC 'N-METHYLCARBONYLTHREONINE           ' M-peptide          21  11 .
THD      THD '"2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDIN' non-polymer        49  30 .
THE      THE 'THREONATE ION                       ' non-polymer        16   9 .
THF      THF '5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID' non-polymer        55  34 .
THG      THG '(6S)-5,6,7,8-TETRAHYDROFOLATE       ' non-polymer        53  32 .
THH      THH '"N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-ME' non-polymer        56  33 .
THI      THI 'THIAZOLO-3-PHENYLISOINDOL-1-ONE     ' non-polymer        32  19 .
THJ      THJ 'THIOSULFATE                         ' non-polymer         5   5 .
THK      THK '4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUOR' non-polymer        56  29 .
THL      THL 'tetrahydrofolate'                     non-polymer        53  32 .
THM      THM 'THYMIDINE                           ' non-polymer        31  17 .
THN      THN '"2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLA' non-polymer        35  23 .
THO      THO 'REDUCED THREONINE                   ' non-polymer        18   7 .
THP      THP 'THYMIDINE-3',5'-DIPHOSPHATE         ' non-polymer        37  25 .
THR      THR 'THREONINE                           ' peptide            14   7 .
THS      THS 'THYMIDINE-5'-(DITHIO)PHOSPHATE      ' non-polymer        36  21 .
THT      THT 'TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTE' non-polymer        63  24 .
THU      THU 'TETRAHYDRODEOXYURIDINE              ' non-polymer        30  16 .
THV      THV 'C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN' non-polymer        54  31 .
THW      THW 'C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHA' non-polymer        55  34 .
THX      THX '.                                   ' non-polymer       125  73 .
THY      THY 'C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN ' non-polymer        57  32 .
THZ      THZ '1-[(4S)-4-amino-5-(1,3-benzothiazol-' non-polymer        37  20 .
TI1      TI1 '[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALA' non-polymer        53  26 .
TI2      TI2 '(2-SULFANYL-3-PHENYLPROPANOYL)-PHE-T' non-polymer        62  35 .
TI3      TI3 '[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-' non-polymer        52  29 .
TIA      TIA '2-(1,5-DIDEOXYRIBOSE)-4-AMIDO-THIAZO' furanose           28  16 .
TIC      TIC 'ticlopidine                         ' non-polymer        31  17 .
TIH      TIH 'BETA(2-THIENYL)ALANINE              ' peptide            19  11 .
TIL      TIL '[2-[5-CARBOXYETHYL-2-PHENOLATO(NITRI' non-polymer        34  22 .
TIM      TIM '(2S)-1-(tert-butylamino)-3-[(4-morph' non-polymer        45  21 .
TIN      TIN '.                                   ' non-polymer        83  38 .
TIO      TIO '(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL' non-polymer        31  17 .
TIS      TIS 'O-(1,1-dihydroxyethyl)-L-serine     ' peptide            21  11 .
TIT      TIT 'N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-' non-polymer        91  46 .
TIZ      TIZ '(1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZO' non-polymer        29  17 .
TK1      TK1 '1-({5-[4-(methylsulfonyl)phenoxy]-2-' non-polymer        54  34 .
TK4      TK4 '2-ACETYLAMINO-NAPTHALENE-1,5-DISULFO' non-polymer        33  22 .
TKL      TKL '(S)-2-(4-((S)-1,5-DIAMINOPENTYL)-1H-' non-polymer        44  19 .
TKT      TKT '(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1' non-polymer        41  21 .
TL1      TL1 '2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHE' non-polymer        50  28 .
TL2      TL2 '2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5' non-polymer        50  28 .
TL3      TL3 '2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHE' non-polymer        50  28 .
TL4      TL4 '2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5' non-polymer        50  28 .
TL5      TL5 '(5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3' non-polymer        31  15 .
TL6      TL6 '(5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDR' non-polymer        25  13 .
TLA      TLA 'L(+)-TARTARIC ACID                  ' non-polymer        14  10 .
TLB      TLB '2'-O,3'-C-METHYLENE-ARABINOFURANOSYL' non-polymer        36  23 .
TLC      TLC '2-O,3-ETHDIYL-ARABINOFURANOSYL-THYMI' non-polymer        39  24 .
TL       TL  'THALLIUM (I) ION                    ' non-polymer         1   1 .
TLD      TLD '4-methylbenzene-1,2-dithiol         ' non-polymer        17   9 .
TLM      TLM 'THIOLACTOMYCIN                      ' non-polymer        28  14 .
TLN      TLN '"[(1R,3R,4R,7S)-7-HYDROXY-3-(THYMIN-' DNA                36  23 .
TLP      TLP '"3-HYDROXY-2-[(3-HYDROXY-2-METHYL-5-' non-polymer        39  23 .
TLX      TLX 'N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO' non-polymer        43  16 .
TM2      TM2 '.                                   ' non-polymer        47  29 .
TM3      TM3 '2-[[6-[[[2-(3-hydroxypropyl)-5-methy' non-polymer        83  41 .
TM5      TM5 'THIO-MALTOPENTAOSE                  ' non-polymer       108  56 .
TM6      TM6 'THIO-MALTOHEXAOSE                   ' non-polymer       129  67 .
TMA      TMA 'TETRAMETHYLAMMONIUM ION             ' non-polymer        17   5 .
TMC      TMC '1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCL' non-polymer        34  18 .
TMD      TMD '(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIM' M-peptide          34  14 .
TME      TME 'PROPANE                             ' non-polymer        11   3 .
TMF      TMF '5,10-METHYLENE-6-HYDROFOLIC ACID    ' non-polymer        52  33 .
TMG      TMG '2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOL' non-polymer        21  14 .
TMH      TMH '(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEP' non-polymer        26  10 .
TMI      TMI '1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IM' non-polymer        42  24 .
TMJ      TMJ 'N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDR' non-polymer        36  21 .
TMM      TMM '1,3,5-BENZENETRICARBOXYLIC ACID     ' non-polymer        18  15 .
TMO      TMO 'trimethylamine oxide                ' non-polymer        14   5 .
TMP      TMP 'THYMIDINE-5'-PHOSPHATE              ' non-polymer        34  21 .
TMQ      TMQ 'TRIMETREXATE                        ' non-polymer        51  27 .
TMR      TMR '2,6-DIDEOXY-4-THIOMETHYL-BETA-D-RIBO' pyranose           25  11 .
TMS      TMS 'N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-' non-polymer        52  27 .
TMT      TMT '2,3,4-TRIMETHYL-1,3-THIAZOLE        ' non-polymer        18   8 .
TMU      TMU 'N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-' non-polymer        33  21 .
TMZ      TMZ '3,4,5-TRIMETHYL-1,3-THIAZOLE        ' non-polymer        18   8 .
TN1      TN1 '5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL   ' non-polymer        23  11 .
TN2      TN2 '5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)' non-polymer        26  19 .
TN3      TN3 '3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOX' non-polymer        31  20 .
TN4      TN4 '"(CHLOROACETYL)CARBAMIC ACID (3R,4S,' non-polymer        55  27 .
TN5      TN5 '2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLORO' non-polymer        26  17 .
TN6      TN6 'diethylphosphoramidic acid          ' non-polymer        21   9 .
TN7      TN7 'ethyl hydrogen ethylamidophosphate  ' non-polymer        21   9 .
TNA      TNA '"N-[(3S)-3-{[(3S)-3-amino-3-carboxyp' non-polymer        43  24 .
TNB      TNB 'S-(2,3,6-TRINITROPHENYL)CYSTEINE    ' peptide            29  22 .
TNC      TNC '"4-DIMETHYLAMINO-1,10,11,12-TETRAHYD' non-polymer        49  29 .
TND      TND 'N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[' non-polymer        73  41 .
TNE      TNE '8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-' non-polymer        23  10 .
TNF      TNF 'PICRIC ACID                         ' non-polymer        19  16 .
TNK      TNK '6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROP' non-polymer        51  27 .
TNL      TNL '2,4,6-TRINITROTOLUENE               ' non-polymer        21  16 .
TNM      TNM '[(2R)-1-(6-aminopurin-9-yl)propan-2-' non-polymer        36  23 .
TNP      TNP '3,5,6,8-TETRAMETHYL-N-METHYL PHENANT' non-polymer        38  19 .
TNR      TNR 'O-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GALAC' peptide            40  21 .
TNS      TNS '.                                   ' non-polymer        47  26 .
TNT      TNT '1,3-BIS(AMIDINOPHENOXY)PROPANE      ' non-polymer        43  23 .
TNV      TNV '[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLE' non-polymer        40  27 .
TNY      TNY '"(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-(ace' peptide            43  22 .
TOA      TOA '3-DEOXY-3-AMINO GLUCOSE             ' pyranose           26  12 .
TOB      TOB '1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE' non-polymer        26  10 .
TOC      TOC '2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE  ' pyranose           27  11 .
TOE      TOE '2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHO' non-polymer        26  11 .
TOH      TOH '(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-' non-polymer        21  14 .
TOL      TOL 'TOLRESTAT                           ' non-polymer        37  24 .
TOM      TOM '4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC' non-polymer        24  15 .
TON      TON '2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PH' non-polymer        51  21 .
TOP      TOP 'TRIMETHOPRIM                        ' non-polymer        39  21 .
TOR      TOR '.                                   ' non-polymer        43  22 .
TOS      TOS 'P-SULFINOTOLUENE                    ' non-polymer        18  10 .
TOT      TOT '1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUN' non-polymer       115  57 .
TOU      TOU 'THIOUREA                            ' non-polymer         8   4 .
TOX      TOX '2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-3-' non-polymer        30  16 .
TOY      TOY 'TOBRAMYCIN                          ' non-polymer        69  32 .
TP1      TP1 '2-(METHYLAMINO)-ETHYLGLYCINE-CARBONY' non-polymer        38  21 .
TP2      TP2 'N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIO' non-polymer        41  21 .
TP3      TP3 '4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE' non-polymer        46  29 .
TP4      TP4 '"N-[4-[[GLUTAMIC ACID]-CARBONYL]-BEN' non-polymer        56  34 .
TP5      TP5 'THIOPHENE-3-CARBOXIMIDAMIDE         ' non-polymer        14   8 .
TP6      TP6 '3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-' non-polymer        54  31 .
TP7      TP7 'PHOSPHORIC ACID N-(1-HYDROXY-7-MERCA' non-polymer        42  21 .
TP8      TP8 '5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHOR' non-polymer        54  35 .
TP9      TP9 '"(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN' non-polymer        42  25 .
TPA      TPA 'TRANS-2-PHENYLCYCLOPROPYLAMINE      ' non-polymer        22  10 .
TPB      TPB '4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-P' non-polymer        44  25 .
TPC      TPC '.                                   ' non-polymer        34  20 .
TPD      TPD 'N-(2-THIENYLMETHYL)-2,5-THIOPHENEDIS' non-polymer        29  19 .
TPE      TPE '.                                   ' non-polymer        54  34 .
TPF      TPF '2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2' non-polymer        34  22 .
TPG      TPG '2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOS' non-polymer        86  54 .
TPI      TPI '"4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHO' non-polymer        45  29 .
TPL      TPL 'TRYPTOPHANOL                        ' non-polymer        28  14 .
TPM      TPM '2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRA' non-polymer        33  15 .
TPN      TPN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        36  20 .
TPO      TPO 'PHOSPHOTHREONINE                    ' peptide            19  12 .
TPP      TPP 'THIAMINE DIPHOSPHATE                ' non-polymer        42  26 .
TPQ      TPQ '5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY' peptide            23  15 .
TPR      TPR 'TOSYL-D-PROLINE                     ' non-polymer        32  18 .
TPS      TPS 'THIAMIN PHOSPHATE                   ' non-polymer        38  22 .
TPT      TPT '.                                   ' non-polymer        30  19 .
TPU      TPU '"2-{1-[(4-AMINO-2-METHYLPYRIMIDIN-5-' non-polymer        41  26 .
TPV      TPV 'N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6' non-polymer        75  42 .
TPW      TPW '"2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-' non-polymer        42  26 .
TPX      TPX '(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENY' non-polymer        39  21 .
TPY      TPY '(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL' non-polymer        38  23 .
TPZ      TPZ 'O-phosphono-N-(5-sulfanylpentanoyl)-' non-polymer        34  19 .
TQ3      TQ3 '5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAM' non-polymer        31  19 .
TQ4      TQ4 '5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUI' non-polymer        34  20 .
TQ5      TQ5 '5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-Q' non-polymer        43  23 .
TQ6      TQ6 '5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-' non-polymer        44  25 .
TQD      TQD '(2R,6S)-6-{[methyl(3,4,5-trimethoxyp' non-polymer        56  27 .
TQP      TQP '.                                   ' non-polymer        81  50 .
TQQ      TQQ '(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7' peptide            27  17 .
TQT      TQT '6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DEC' non-polymer        55  22 .
TR1      TR1 '"2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMIN' non-polymer        63  32 .
TRA      TRA 'ACONITATE ION                       ' non-polymer        15  12 .
TRC      TRC 'TRICARBALLYLIC ACID                 ' non-polymer        17  12 .
TRD      TRD 'TRIDECANE                           ' non-polymer        41  13 .
TRE      TRE 'TREHALOSE                           ' pyranose           45  23 .
TRF      TRF 'N1-FORMYL-TRYPTOPHAN                ' peptide            28  17 .
TRH      TRH '2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE  ' non-polymer        59  35 .
TRI      TRI '1,2,4-TRIAZOLE                      ' non-polymer         8   5 .
TRJ      TRJ 'META-DI(AMINOMETHYL)BENZENE         ' non-polymer        22  10 .
TRL      TRL '"{1-[2-(1-FORMYL-PROPYL)-3-METHANESU' non-polymer        64  29 .
TRM      TRM '1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID ' non-polymer        17  12 .
TRN      TRN 'NZ2-TRYPTOPHAN                      ' peptide            25  15 .
TRO      TRO '2-HYDROXY-TRYPTOPHAN                ' peptide            27  16 .
TRP      TRP 'TRYPTOPHAN                          ' peptide            24  14 .
TRQ      TRQ '2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-' peptide            26  17 .
TRR      TRR '2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZ' non-polymer        40  21 .
TRS      TRS '2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-' non-polymer        20   8 .
TRT      TRT 'FRAGMENT OF TRITON X-100            ' non-polymer        61  25 .
TRU      TRU '"6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIH' non-polymer        28  20 .
TRW      TRW '"TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(' non-polymer        41  23 .
TRX      TRX '6-HYDROXYTRYPTOPHAN                 ' peptide            27  16 .
TRZ      TRZ 'TRAZEOLIDE                          ' non-polymer        50  23 .
TS0      TS0 '"4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4' non-polymer        51  30 .
TS1      TS1 '"4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4' non-polymer        51  30 .
TS2      TS2 '"2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUT' non-polymer        93  48 .
TS4      TS4 'GLUTATHIONYLSPERMIDINE DISULFIDE    ' non-polymer       122  58 .
TS5      TS5 'GLUTATHIONYLSPERMIDINE              ' non-polymer        62  29 .
TS6      TS6 'Monothiophosphate                   ' non-polymer         8   5 .
TS9      TS9 '(2S,3S,4R)-2-amino-3,4-dihydroxy-3-m' peptide            23  11 .
TSA      TSA '8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-' non-polymer        26  16 .
TSB      TSB '5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENO' non-polymer        51  30 .
TSC      TSC '(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANO' non-polymer        25  13 .
TSD      TSD '3-TRIMETHYLSILYL-PROPIONATE-2,2,3,3,' non-polymer        30  13 .
TSE      TSE 'THIOPHOSPHONOACETIC ACID            ' non-polymer        12   8 .
TSF      TSF '"3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8' non-polymer        55  32 .
TSH      TSH '2-(1H-INDOL-3-YL)ETHANIMINE         ' non-polymer        22  12 .
TSI      TSI '(2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-D' non-polymer        21   8 .
TSL      TSL 'TRANS-ENAMINE INTERMEDIATE OF SULBAC' non-polymer        27  15 .
TSM      TSM '2-methylpropane-2-sulfonic acid     ' non-polymer        18   8 .
TSN      TSN 'TRICHOSTATIN A                      ' non-polymer        44  22 .
TSO      TSO '(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO' non-polymer        26  16 .
TSP      TSP '3'-THIO-THYMIDINE-5'-PHOSPHATE      ' non-polymer        34  21 .
TSR      TSR '2-(1H-INDOL-3-YL)ACETAMIDE          ' non-polymer        23  13 .
TSS      TSS '2-(1H-INDOL-3-YL)ETHANAMINE         ' non-polymer        24  12 .
TST      TST '"4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)' non-polymer        52  27 .
TSU      TSU 'PARA-TOLUENE SULFONATE              ' non-polymer        19  11 .
TSX      TSX 'N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,' non-polymer        54  29 .
TSZ      TSZ 'HYDRAZINECARBOTHIOAMIDE             ' non-polymer        10   5 .
TT1      TT1 '4-benzyl-3-[(2-chlorobenzyl)sulfanyl' non-polymer        42  26 .
TT2      TT2 '(1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-h' non-polymer        90  38 .
TTA      TTA 'TETRAPHENYL-ARSONIUM                ' non-polymer        45  25 .
TTB      TTB '"4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,' non-polymer        53  26 .
TTC      TTC '"(S)-10-[(DIMETHYLAMINO)METHYL]-4-ET' non-polymer        54  31 .
TT       TT  '.                                   ' non-polymer        66  39 .
TTD      TTD 'CIS-SYN CYCLOBUTANE THYMINE DIMER   ' non-polymer        66  41 .
TTE      TTE 'PHOSPHOMETHYL PHOSPHONIC ACID DEOXYT' non-polymer        47  29 .
TTF      TTF '4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1' non-polymer        19  14 .
TTG      TTG '"2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-' non-polymer        56  32 .
TTI      TTI '.                                   ' non-polymer        32  21 .
TTL      TTL 'TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAH' non-polymer        25  12 .
TTM      TTM 'N3-ETHYL-THYMIDINE-5'-MONOPHOSPHATE ' DNA                40  23 .
TTN      TTN 'TARTRONATE                          ' non-polymer        10   8 .
TTO      TTO '(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARS' non-polymer        47  27 .
TTP      TTP 'THYMIDINE-5'-TRIPHOSPHATE           ' non-polymer        42  29 .
TTQ      TTQ '6-AMINO-7-HYDROXY-L-TRYPTOPHAN      ' peptide            29  17 .
TTR      TTR '9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBA' non-polymer        30  17 .
TTS      TTS '"3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYP' peptide            41  24 .
TTT      TTT '5-amino-2-methyl-N-[(1R)-1-naphthale' non-polymer        43  23 .
TTX      TTX 'TENTOXIN                            ' non-polymer        60  30 .
TTZ      TTZ 'N-[(3AS,4R,5S,6S,6AS)-4,5,6-TRIHYDRO' non-polymer        47  25 .
TUD      TUD 'TAUROCHENODEOXYCHOLIC ACID          ' non-polymer        79  34 .
TUI      TUI '"2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)TH' non-polymer        50  33 .
TUN      TUN 'ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE' non-polymer        27  11 .
TUO      TUO '2-(hydrazinocarbonyl)-3-phenyl-1H-in' non-polymer        37  23 .
TUX      TUX '1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYD' non-polymer        71  30 .
TVN      TVN 'N-{(2R)-4-(methylamino)-4-oxo-2-[4-(' non-polymer        66  36 .
TWN      TWN '(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRA' non-polymer        67  25 .
TWT      TWT 'DOCOSANE                            ' non-polymer        68  22 .
TX1      TX1 '2,4-dibromo-6-({[(2-nitrophenyl)carb' non-polymer        44  31 .
TX3      TX3 '2,4-dibromo-6-({[(2-chlorophenyl)car' non-polymer        45  29 .
TX4      TX4 'L-THREONOHYDROXAMATE 4-PHOSPHATE    ' non-polymer        24  14 .
TX5      TX5 '(1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO' non-polymer        70  30 .
TXD      TXD '1,4,5,6-TETRAHYDRONICOTINAMIDE ADENI' non-polymer        73  44 .
TXF      TXF '(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY' non-polymer        62  31 .
TXL      TXL 'TAXOTERE                            ' non-polymer       111  58 .
TXN      TXN '.                                   ' non-polymer       124  75 .
TXP      TXP '1,4,5,6-TETRAHYDRONICOTINAMIDE ADENI' non-polymer        76  48 .
TXQ      TXQ '1,2,5,8-tetrahydroxyanthracene-9,10-' non-polymer        28  20 .
TXS      TXS '1-(2,5-dideoxy-5-pyrrolidin-1-yl-bet' non-polymer        42  21 .
TXT      TXT '4,6-dideoxy-4-{[(1S,2R,3R,4S,5S)-2,3' non-polymer       110  55 .
TXX      TXX 'Thiostrepton                        ' non-polymer       199 114 .
TXZ      TXZ 'O-phosphono-N-(6-sulfanylhexanoyl)-L' non-polymer        37  20 .
TY2      TY2 '3-AMINO-L-TYROSINE                  ' peptide            25  14 .
TY4      TY4 '"4-bromo-2-({[(2-chlorophenyl)carbon' non-polymer        45  30 .
TY8      TY8 '2,4-bis(hydroperoxy)-5-hydroxy-L-phe' peptide            27  17 .
TY9      TY9 '3,4-bis(hydroperoxy)-5-hydroxy-L-phe' peptide            27  17 .
TYA      TYA '.                                   ' non-polymer        58  34 .
TYB      TYB 'TYROSINAL                           ' non-polymer        23  12 .
TYC      TYC 'L-TYROSINAMIDE                      ' non-polymer        25  13 .
TYD      TYD 'THYMIDINE-5'-DIPHOSPHATE            ' non-polymer        38  25 .
TYE      TYE '4-[(2S)-2-amino-3-hydroxypropyl]phen' non-polymer        25  12 .
TYI      TYI '3,5-DIIODOTYROSINE                  ' peptide            23  15 .
TYK      TYK 'TYLOSIN                             ' non-polymer       141  64 .
TYL      TYL 'N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENO' non-polymer        20  11 .
TYM      TYM 'TRYPTOPHANYL-5'AMP                  ' non-polymer        60  37 .
TYN      TYN 'AMINOBENZOFURAZAN-O-TYROSINE        ' peptide            38  23 .
TYO      TYO '(4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)' peptide            27  15 .
TYP      TYP 'CYCLO-(L-TYROSINE-L-PROLINE) INHIBIT' non-polymer        35  19 .
TYQ      TYQ '3-AMINO-6-HYDROXY-TYROSINE          ' peptide            26  15 .
TYR      TYR 'TYROSINE                            ' peptide            23  13 .
TYS      TYS 'O-SULFO-L-TYROSINE                  ' peptide            27  17 .
TYT      TYT 'TYROSINE DERIVATIVE                 ' non-polymer        43  24 .
TYU      TYU 'TETRAHYDROURIDINE                   ' non-polymer        33  17 .
TYV      TYV 'TYVELOSE                            ' pyranose           22  10 .
TYX      TYX 'S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE ' peptide            30  17 .
TYY      TYY '3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA' peptide            24  15 .
TYZ      TYZ 'PARA ACETAMIDO BENZOIC ACID         ' non-polymer        21  13 .
TZ1      TZ1 'N-{5-[(7-chloroquinolin-4-yl)sulfany' non-polymer        34  25 .
TZ4      TZ4 '3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,' non-polymer        95  50 .
TZ5      TZ5 '3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,' non-polymer        95  50 .
TZA      TZA 'TRANS-AMICLENOMYCIN                 ' non-polymer        29  14 .
TZB      TZB '(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-4,5' non-polymer        21  12 .
TZC      TZC '1,2,4-TRIAZOLE-CARBOXAMIDINE        ' non-polymer        14   8 .
TZD      TZD '"2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-' non-polymer        42  27 .
TZE      TZE '2-(4-METHYL-THIAZOL-5-YL)-ETHANOL   ' non-polymer        18   9 .
TZL      TZL '2-(SEC-BUTYL)THIAZOLE               ' non-polymer        20   9 .
TZO      TZO '1,3-THIAZOLE-4-CARBOXYLIC ACID      ' non-polymer        10   8 .
TZP      TZP '4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOS' non-polymer        21  13 .
TZT      TZT 'SOBLIDOTIN                          ' non-polymer       117  50 .
TZY      TZY '6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-Y' non-polymer        39  24 .
TZZ      TZZ 'TRIMETHYL PHOSPHATE                 ' non-polymer        17   8 .
U01      U01 '3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPY' non-polymer        40  23 .
U02      U02 '"[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDRO' non-polymer        79  41 .
U03      U03 '4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROP' non-polymer        41  23 .
U04      U04 '"({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-' non-polymer        61  33 .
U05      U05 '6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NIT' non-polymer        36  22 .
U0E      U0E 'N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLME' non-polymer        94  42 .
U10      U10 'UBIQUINONE-10                       ' non-polymer       153  63 .
U11      U11 '"METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY' non-polymer        47  27 .
U12      U12 '5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLA' non-polymer        26  19 .
U13      U13 '4-(4-FLUORO-PHENYLAZO)-5-IMINO-5H-PY' non-polymer        23  16 .
U14      U14 '3-(5-AMINO-3-IMINO-3H-PYRAZOL-4-YLAZ' non-polymer        25  18 .
U15      U15 '"METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY' non-polymer        59  28 .
U16      U16 '"METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY' non-polymer        65  30 .
U17      U17 'METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYH' non-polymer        59  26 .
U19      U19 '5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLA' non-polymer        26  19 .
U1       U1  'URANIUM ATOM                        ' non-polymer         1   1 .
U1K      U1K '(S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTY' non-polymer        31  16 .
U1N      U1N '4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXO' non-polymer        45  24 .
U1P      U1P '.                                   ' non-polymer        35  23 .
U1S      U1S '1-{5-deoxy-5-[4-(ethoxycarbonyl)pipe' non-polymer        52  27 .
U20      U20 'uridine-5'-diphosphate-3-O-(R-3-hydr' non-polymer       106  55 .
U21      U21 'uridine-5'-diphosphate-3-O-(R-3-hydr' non-polymer        94  51 .
U22      U22 'uridine-5'-diphosphate-3-N-(R-3-hydr' non-polymer       101  53 .
U2F      U2F 'URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLU' non-polymer        57  36 .
U2G      U2G 'URIDYLYL-2'-5'-PHOSPHO-GUANOSINE    ' non-polymer        63  40 .
U2L      U2L '.                                   ' RNA                45  26 .
U2N      U2N '.                                   ' DNA                33  21 .
U2P      U2P '"PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-' non-polymer        32  21 .
U2S      U2S '1-(5-deoxy-5-morpholin-4-yl-alpha-L-' non-polymer        41  22 .
U31      U31 '.                                   ' non-polymer        43  25 .
U32      U32 '4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMI' non-polymer        34  19 .
U33      U33 '.                                   ' non-polymer        28  17 .
U34      U34 '.                                   ' non-polymer        37  22 .
U36      U36 '2'-O-METHYOXYETHYL-URIDINE-5'-MONOPH' non-polymer        42  25 .
U37      U37 '.                                   ' non-polymer        34  21 .
U3H      U3H '.                                   ' non-polymer        41  28 .
U3P      U3P '3'-URIDINEMONOPHOSPHATE             ' non-polymer        32  21 .
U3S      U3S '1-(5-deoxy-5-piperidin-1-yl-alpha-L-' non-polymer        43  22 .
U49      U49 '(20S)-19,20,21,22-TETRAHYDRO-19-OXO-' non-polymer        54  33 .
U4S      U4S '1-(5-deoxy-5-pyrrolidin-1-yl-alpha-L' non-polymer        40  21 .
U51      U51 '"(6E)-7-{6-[(1E)-OCT-1-ENYL]-2,3-DIA' non-polymer        55  24 .
U55      U55 '4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZ' non-polymer        29  18 .
U5P      U5P 'URIDINE-5'-MONOPHOSPHATE            ' non-polymer        32  21 .
U66      U66 '(20S)-19,20,22,23-TETRAHYDRO-19-OXO-' non-polymer        61  34 .
U73      U73 'N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRID' non-polymer        33  18 .
U89      U89 '"N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6' non-polymer        82  48 .
U8U      U8U '5-METHYLAMINOMETHYL-2-THIOURIDINE-5'' RNA                40  24 .
UA1      UA1 'N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-' non-polymer        69  37 .
UA2      UA2 '3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PY' non-polymer        34  19 .
UA3      UA3 '.                                   ' non-polymer        32  21 .
UA4      UA4 '(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN' non-polymer        62  35 .
UA5      UA5 '(4-ETHYLPHENYL)SULFAMIC ACID        ' non-polymer        24  13 .
UAA      UAA 'URACIL-6-ACETIC ACID                ' non-polymer        17  12 .
UAD      UAD '"[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dih' non-polymer        54  34 .
UAG      UAG 'URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAM' non-polymer        97  58 .
UAL      UAL '(2Z)-2-amino-3-(carbamoylamino)prop-' non-polymer        16  10 .
UAP      UAP '1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCU' non-polymer        22  15 .
UAR      UAR '.                                   ' RNA                32  21 .
UB1      UB1 '"3-({3-[(2S)-2-amino-2-carboxyethyl]' non-polymer        37  26 .
UB2      UB2 'N-[(S)-({[(benzyloxy)carbonyl]amino}' non-polymer        56  29 .
UB3      UB3 'N-[(S)-({[(benzyloxy)carbonyl]amino}' non-polymer        62  31 .
UBA      UBA '(S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-C' non-polymer        37  24 .
UBB      UBB '2',3'-DIDEOXY-URIDINE-5'-MONOPHOSPHA' non-polymer        30  19 .
UBC      UBC '(S)-1-(2-AMINO-2-CARBOXYETHYL)-3-(2-' non-polymer        37  24 .
UBE      UBE '"3-({3-[(2S)-2-amino-2-carboxyethyl]' non-polymer        47  30 .
UBF      UBF '"3-({3-[(2S)-2-amino-2-carboxyethyl]' non-polymer        34  24 .
UBP      UBP '3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-' non-polymer        30  19 .
UC1      UC1 '"2-METHYL-FURAN-3-CARBOTHIOIC ACID [' non-polymer        40  22 .
UC2      UC2 'N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-' non-polymer        42  23 .
UC3      UC3 '1-METHYL ETHYL 2-CHLORO-5-[[[(1-METH' non-polymer        38  20 .
UC4      UC4 '"1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIH' non-polymer        41  23 .
UC5      UC5 '2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONO' non-polymer        40  24 .
UCB      UCB '1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHL' non-polymer        72  35 .
UCD      UCD '"(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-AC' pyranose           46  26 .
U        U   'URIDINE-5'-MONOPHOSPHATE            ' RNA                32  21 .
UCL      UCL '.                                   ' non-polymer        31  21 .
UCM      UCM '"REL-(9R,12S)-9,10,11,12-TETRAHYDRO-' non-polymer        45  30 .
UCN      UCN '7-HYDROXYSTAUROSPORINE              ' non-polymer        62  36 .
UCP      UCP 'PHOSPHOMETHYL PHOSPHONIC ACID DEOXYU' non-polymer        44  28 .
UD0      UD0 '.                                   ' non-polymer        84  55 .
UD1      UD1 'URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAM' non-polymer        64  39 .
UD2      UD2 'URIDINE-DIPHOSPHATE-N-ACETYLGALACTOS' non-polymer        64  39 .
UD4      UD4 'UDP-2-acetamido-4-amino-2,4,6-trideo' non-polymer        64  38 .
UD5      UD5 '5-FLUOROURIDINE                     ' non-polymer        33  21 .
UDA      UDA '3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-U' non-polymer        76  49 .
UDC      UDC '"(2S,3S)-2-((2S,3R,4S,5R)-5-ETHANAMI' non-polymer        45  23 .
UDH      UDH '6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHA' non-polymer        57  32 .
UDM      UDM 'URIDINE-DIPHOSPHATE-METHYLENE-N-ACET' non-polymer        67  39 .
UDP      UDP 'URIDINE-5'-DIPHOSPHATE              ' non-polymer        36  25 .
UDR      UDR '"(E)-S-Methyl 5-(1-(3,7-Dimethyl-2-o' non-polymer        65  36 .
UDS      UDS 'N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]' non-polymer        31  20 .
UDT      UDT 'O-DECYL HYDROGEN THIOCARBONATE      ' non-polymer        36  14 .
UDX      UDX 'URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE ' non-polymer        54  34 .
UEP      UEP '.                                   ' non-polymer        38  23 .
UFG      UFG 'URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLU' non-polymer        57  36 .
UFM      UFM 'URIDINE-5'-DIPHOSPHATE-MANNOSE      ' non-polymer        58  36 .
UFO      UFO '1-(1,4-dimethyl-1,2,3,4-tetrahydroqu' non-polymer        31  14 .
UFP      UFP '5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOS' non-polymer        31  21 .
UFR      UFR '.                                   ' non-polymer        33  22 .
UFT      UFT '.                                   ' DNA                31  21 .
UGA      UGA '.                                   ' non-polymer        56  37 .
UGB      UGB '"(2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)' non-polymer        56  37 .
UHD      UHD '6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOL' non-polymer        48  23 .
UI1      UI1 '6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMI' non-polymer        52  31 .
UI2      UI2 '8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2' non-polymer        33  20 .
UI3      UI3 '7-METHOXY-8-[1-(METHYLSULFONYL)-1H-P' non-polymer        40  24 .
UIB      UIB '(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3' non-polymer        65  33 .
UIN      UIN '5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(' non-polymer        47  23 .
UIP      UIP '(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]D' non-polymer        63  33 .
UIQ      UIQ '(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]D' non-polymer        66  34 .
UIR      UIR '(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]D' non-polymer        64  34 .
UIZ      UIZ '(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]D' non-polymer        70  38 .
UKC      UKC '8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7' non-polymer        40  23 .
UKP      UKP '"[2,4,6-TRIISOPROPYL-PHENYLSULFONYL-' non-polymer        91  43 .
ULA      ULA 'ULAPUALIDE A                        ' non-polymer       129  63 .
ULP      ULP '.                                   ' non-polymer        84  55 .
UM0      UM0 '"(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3' non-polymer        48  25 .
UM1      UM1 '(2R)-2-[[(2R)-2-(2-aminoethanoylamin' non-polymer        29  15 .
UM2      UM2 '(2S)-2-amino-N-butyl-propanamide    ' non-polymer        26  10 .
UM3      UM3 '.                                   ' non-polymer        31  20 .
UMA      UMA 'URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAM' non-polymer        82  49 .
UMF      UMF '.                                   ' non-polymer        31  21 .
UMG      UMG 'METHYL-UMBELLIFERTL-N-ACETYL-CHITOTR' non-polymer       102  55 .
UMP      UMP '.                                   ' RNA                31  20 .
UMQ      UMQ 'UNDECYL-MALTOSIDE                   ' non-polymer        78  34 .
UMS      UMS '2'-METHYLSELENYL-2'-DEOXYURIDINE-5'-' DNA                35  22 .
UN1      UN1 '2-AMINOHEXANEDIOIC ACID             ' non-polymer        20  11 .
UN2      UN2 '2-AMINO-4,4-DIHYDROXYBUTANOIC ACID  ' peptide            17   9 .
UN3      UN3 '(2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-' non-polymer        28  17 .
UN4      UN4 '5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHY' non-polymer        30  18 .
UN5      UN5 '"{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFO' non-polymer        58  34 .
UN6      UN6 '(3-{[3-(3-SULFOAMINO-PHENYL)-PROPION' non-polymer        47  28 .
UN7      UN7 '"3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOA' non-polymer        54  32 .
UN8      UN8 'N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,' non-polymer        68  40 .
UN9      UN9 'N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-' non-polymer        27  19 .
UNA      UNA 'UNDECANAL                           ' non-polymer        34  12 .
UNB      UNB 'N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDR' non-polymer        62  36 .
UNC      UNC '5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)' non-polymer        16  12 .
UND      UND 'UNDECANE                            ' non-polymer        35  11 .
UNF      UNF '"4-O-(4-deoxy-beta-L-threo-hex-4-eno' non-polymer        38  24 .
UNG      UNG '"4-O-(4-DEOXY-BETA-L-THREO-HEX-4-ENO' non-polymer        38  24 .
UNH      UNH '"({1-[1-CARBAMOYL-PHENYL-METHYL)-CAR' non-polymer       103  49 .
UNI      UNI '"4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,' non-polymer        64  36 .
UNK      UNK 'UNKNOWN                             ' peptide            15   7 .
UNN      UNN '(6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-ME' non-polymer        47  28 .
UNT      UNT '"(2S)-3-{4-[3-(5-methyl-2-phenyl-1,3' non-polymer        54  31 .
UNU      UNU 'BENZAMIDE                           ' non-polymer        16   9 .
UNX      UNX 'UNKNOWN ATOM OR ION                 ' non-polymer         1   1 .
UOC      UOC 'undecan-2-one                       ' non-polymer        34  12 .
UP1      UP1 'URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLU' non-polymer        57  36 .
UP3      UP3 '.                                   ' non-polymer        90  60 .
UP5      UP5 'P1-(ADENOSINE-5'-P5-(URIDINE-5')PENT' non-polymer        78  55 .
UP6      UP6 '.                                   ' non-polymer        31  21 .
UPA      UPA 'URIDYLYL-2'-5'-PHOSPHO-ADENOSINE    ' non-polymer        62  39 .
UPF      UPF 'URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLU' non-polymer        57  36 .
UPG      UPG 'URIDINE-5'-DIPHOSPHATE-GLUCOSE      ' non-polymer        58  36 .
UPL      UPL 'UNKNOWN BRANCHED FRAGMENT OF PHOSPHO' non-polymer       104  34 .
UPM      UPM '.                                   ' non-polymer        73  45 .
UPP      UPP 'PHENYL-URIDINE-5'-DIPHOSPHATE       ' non-polymer        47  31 .
UPR      UPR '2'-DEOXYURIDINE-5'-ALPHA,BETA-AMINOP' non-polymer        45  29 .
UPS      UPS '2'-deoxy-5'-O-thiophosphonouridine  ' non-polymer        33  20 .
UPU      UPU '.                                   ' non-polymer        59  37 .
UQ1      UQ1 'UBIQUINONE-1                        ' non-polymer        36  18 .
UQ2      UQ2 'UBIQUINONE-2                        ' non-polymer        49  23 .
UQ5      UQ5 '2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19' non-polymer        88  38 .
UQ6      UQ6 '5-(3,7,11,15,19,23-HEXAMETHYL-TETRAC' non-polymer       103  43 .
UQ7      UQ7 'UBIQUINONE-7                        ' non-polymer       114  48 .
UQ8      UQ8 'Ubiquinone-8                        ' non-polymer       127  53 .
UQ       UQ  'Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E' non-polymer       153  63 .
UR2      UR2 '"4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOX' non-polymer        73  39 .
UR3      UR3 '3-METHYLURIDINE-5'-MONOPHOSHATE     ' RNA                35  22 .
URA      URA 'URACIL                              ' non-polymer        12   8 .
URB      URB '5-bromopyrimidine-2,4(1H,3H)-dione  ' non-polymer        12   9 .
URC      URC 'URIC ACID                           ' non-polymer        16  12 .
URD      URD '"1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIH' non-polymer        30  17 .
URE      URE 'UREA                                ' non-polymer         8   4 .
URF      URF '5-FLUOROURACIL                      ' non-polymer        12   9 .
URG      URG '"N-acetyl-D-alanyl-N~5~-[N-(methylca' non-polymer        82  44 .
URI      URI 'URIDINE                             ' non-polymer        29  17 .
URM      URM '.                                   ' non-polymer        61  36 .
URN      URN '5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIO' non-polymer        16  10 .
URO      URO '(2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACI' non-polymer        15  10 .
URP      URP 'N-(AMINOCARBONYL)-BETA-ALANINE      ' non-polymer        16   9 .
URS      URS 'N-PHENYLTHIOUREA                    ' non-polymer        18  10 .
URT      URT '"({[(2R,5R)-5-(6-amino-9H-purin-9-yl' non-polymer        33  22 .
US1      US1 '.                                   ' non-polymer        31  20 .
US2      US2 '.                                   ' non-polymer        35  22 .
US3      US3 '1-(2-deoxy-5-O-phosphono-beta-D-eryt' DNA                34  21 .
US4      US4 '"[(2R,3S,5R)-3-({[(2R,3S,5R)-5-(6-am' non-polymer        66  40 .
US5      US5 '1-(5-O-phosphono-beta-D-ribofuranosy' non-polymer        32  21 .
USM      USM '.                                   ' DNA                35  22 .
USQ      USQ 'SULFOQUINOVOSE-URIDINE-C1,5'-DIPHOSP' non-polymer        61  39 .
UTP      UTP '.                                   ' non-polymer        40  29 .
UVC      UVC 'URIDINE-2',3'-VANADATE              ' non-polymer        33  21 .
UVW      UVW 'ACETYLPHOSPHATE                     ' non-polymer        11   8 .
UZ9      UZ9 '"(2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-' non-polymer        85  36 .
V10      V10 'N^6^-[(1R)-2-[(1R)-1-carboxy-2-(meth' non-polymer        44  24 .
V12      V12 '5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMIN' non-polymer        49  29 .
V15      V15 '2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4' non-polymer        29  16 .
V1A      V1A '3-[(2,2,5,5-tetramethyl-1-oxo-2,5-di' non-polymer        35  18 .
V20      V20 'N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHY' non-polymer        44  24 .
V21      V21 '3-methylthiobenzimidazo[1,2-c][1,2,3' non-polymer        26  18 .
V25      V25 '"ethyl 3-[(E)-2-amino-1-cyanoethenyl' non-polymer        35  22 .
V2H      V2H '(1S,3R,5Z,7E,22E)-9,10-secoergosta-5' non-polymer        74  30 .
V35      V35 'D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ET' non-polymer        31  17 .
V36      V36 'L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ET' non-polymer        31  17 .
V4O      V4O 'CYCLO-TETRAMETAVANADATE             ' non-polymer        16  16 .
V55      V55 '4-hydroxy-3-methoxybenzaldehyde     ' non-polymer        19  11 .
V5X      V5X '(2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-M' non-polymer        87  46 .
V7O      V7O 'META VANADATE                       ' non-polymer        26  26 .
VA1      VA1 '{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTH' non-polymer        28  18 .
VA3      VA3 'TRIVANADATE                         ' non-polymer        12  11 .
VAA      VAA 'N-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUF' non-polymer        54  30 .
VAC      VAC 'N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DI' non-polymer        88  46 .
VA       VA  '(Z)-OCTADEC-11-ENYL ACETATE         ' non-polymer        60  22 .
VAD      VAD 'DEAMINOHYDROXYVALINE                ' non-polymer        17   8 .
VAF      VAF 'METHYLVALINE                        ' non-polymer        21   8 .
VAG      VAG 'VANCOMYCIN AGLYCON                  ' non-polymer       132  80 .
VAK      VAK '"methyl (1R,2R,4S)-2-ethyl-2,4,5,7-t' non-polymer        50  30 .
VAL      VAL 'VALINE                              ' peptide            16   7 .
VAM      VAM 'METHYL 4-O-(4-THIO-BETA-D-GLUCOPYRAN' non-polymer        48  24 .
VAN      VAN 'VANCOMYCIN                          ' non-polymer       177 101 .
VAR      VAR '9-amino-5-(2-aminopyrimidin-4-yl)pyr' non-polymer        33  22 .
VAS      VAS '2,3-DIMETHYL-BUTYRALDEHYDE          ' non-polymer        19   7 .
VAW      VAW '"(2S,3R,4S)-methyl 4-(2-(2-(1H-indol' non-polymer        74  38 .
VAX      VAX '4-EPI-VANCOSAMINYL DERIVATIVE OF VAN' non-polymer       201 111 .
VAZ      VAZ 'N^6^-{(1R)-2-{[(1S,2R)-1-carboxy-2-h' non-polymer        46  26 .
VB1      VB1 '"N^6^-[(1R)-2-{[(1S)-1-carboxypropyl' non-polymer        44  23 .
VBP      VBP '"4-({3-[(2R)-2-amino-2-carboxyethyl]' non-polymer        37  24 .
VBZ      VBZ '(1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxym' non-polymer        41  20 .
VC3      VC3 '3-(4-nitrophenyl)-1H-pyrazole       ' non-polymer        21  14 .
VCA      VCA 'VACCENIC ACID                       ' non-polymer        53  20 .
V        V   'VANADIUM ION                        ' non-polymer         1   1 .
VD1      VD1 '5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-' non-polymer        61  25 .
VD2      VD2 '5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXY' non-polymer        76  30 .
VD3      VD3 '(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-M' non-polymer        72  28 .
VD4      VD4 '(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dim' non-polymer        72  30 .
VD5      VD5 '(1R,3R,7E,17E)-17-(5-hydroxy-1,5-dim' non-polymer        72  30 .
VDA      VDA '(1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-2' non-polymer        80  34 .
VDB      VDB '(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethy' non-polymer        80  34 .
VDL      VDL '(2R,3R)-2,3-DIAMINOBUTANOIC ACID    ' peptide            17   8 .
VDM      VDM '(1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[' non-polymer        48  23 .
VDN      VDN '2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-Y' non-polymer        66  34 .
VDO      VDO '"[(1R,2R,3S,4S,5S)-2,3,4-TRIHYDROXY-' non-polymer        51  27 .
VDX      VDX '5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXY' non-polymer        74  30 .
VDY      VDY '3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXY' non-polymer        73  29 .
VDZ      VDZ '5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXY' non-polymer        74  30 .
VEA      VEA '5-OXA-PROTOPORPHYRIN IX CONTAINING F' non-polymer        72  43 .
VER      VER 'IRON-OCTAETHYLPORPHYRIN             ' non-polymer        64  38 .
VG0      VG0 'N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,' non-polymer        87  39 .
VG1      VG1 'ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADA' pyranose           31  20 .
VG2      VG2 '4-(2-aminoethoxy)-N-(3-chloro-5-pipe' non-polymer        56  28 .
VG3      VG3 'N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cycl' non-polymer        85  40 .
VG4      VG4 'N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cycl' non-polymer        86  42 .
VG5      VG5 '?                                   ' N-[(1S,2R)-1-ben   86  41 .
VG6      VG6 'N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-' non-polymer        76  41 .
VG7      VG7 'N-[(1S,2R)-1-benzyl-3-(cyclohexylami' non-polymer        76  36 .
VG8      VG8 '"4-(1,4'-bipiperidin-1'-yl)-7-({5-ch' non-polymer        76  40 .
VG9      VG9 '6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL' non-polymer        51  27 .
VGA      VGA '1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-' non-polymer        46  27 .
VGB      VGB '(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydro' non-polymer        52  26 .
VGC      VGC '6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-TH' non-polymer        44  24 .
VGD      VGD '6-chloro-1H-benzimidazol-2-amine    ' non-polymer        17  11 .
VGF      VGF '1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-B' non-polymer        40  25 .
VGG      VGG '1-tert-butyl-3-(3-methylbenzyl)-1H-p' non-polymer        43  22 .
VGH      VGH '3-[(1R)-1-(2,6-dichloro-3-fluorophen' non-polymer        52  30 .
VGI      VGI '2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL' non-polymer        41  26 .
VGJ      VGJ '(3R,7S,11S)-3,7,11,15-tetramethylhex' non-polymer        61  22 .
VGK      VGK '4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL' non-polymer        47  28 .
VGL      VGL 'PYRAZINE-2-CARBOXYLIC ACID          ' non-polymer        12   9 .
VGM      VGM '4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHE' non-polymer        42  25 .
VGN      VGN '2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOI' non-polymer        41  25 .
VHD      VHD '4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBO' non-polymer        41  22 .
VIA      VIA '5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-' non-polymer        63  33 .
VIB      VIB '3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLME' non-polymer        35  18 .
VI       VI  '1,3-DIPHENYL-1H-PYRAZOLE-4,5-DICARBO' non-polymer        33  23 .
VIG      VIG '4-AMINO HEXANOIC ACID               ' non-polymer        21   9 .
VII      VII '2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC A' non-polymer        33  23 .
VIN      VIN '12-(2-hydroxyethyl)-2-(1-methylethox' non-polymer        56  32 .
VIO      VIO 'N5-(1-IMINO-3-BUTENYL)-L-ORNITHINE  ' non-polymer        33  14 .
VIR      VIR 'VIRGINIAMYCIN M1                    ' non-polymer        73  38 .
VIT      VIT 'VITAMIN E                           ' non-polymer        81  31 .
VIV      VIV '(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-' non-polymer        81  31 .
VK3      VK3 'MENADIONE                           ' non-polymer        21  13 .
VLB      VLB '(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-V' non-polymer       117  59 .
VLL      VLL '(2S)-2,3-DIAMINOBUTANOIC ACID       ' peptide            17   8 .
VLM      VLM 'VALINYLAMINE                        ' non-polymer        20   8 .
VM1      VM1 '5-(2-thienyl)nicotinic acid         ' non-polymer        20  14 .
VME      VME 'METHYL L-VALINATE                   ' non-polymer        22   9 .
VMS      VMS '5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINE' non-polymer        53  30 .
VMX      VMX '5'-{[(3-aminopropyl)sulfonyl]amino}-' non-polymer        47  26 .
VN4      VN4 'oxido(dioxo)vanadium                ' non-polymer         4   4 .
VNF      VNF '4'-chloro-N-[(1R)-2-(1H-imidazol-1-y' non-polymer        49  29 .
VNI      VNI 'N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H' non-polymer        54  35 .
VNL      VNL '4-HYDROXY-3-METHOXYBENZOATE         ' non-polymer        19  12 .
VNP      VNP '3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)M' non-polymer        46  26 .
VO3      VO3 'TETRAMETAVANADATE                   ' non-polymer        17  17 .
VO4      VO4 'VANADATE ION                        ' non-polymer         5   5 .
VOL      VOL 'L-VALINOL                           ' non-polymer        20   7 .
VOR      VOR '(2R,3S)-2-(2,4-difluorophenyl)-3-(5-' non-polymer        39  25 .
VPR      VPR '2-PROPYLPENTANAMIDE                 ' non-polymer        27  10 .
VPU      VPU '"[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hy' non-polymer        53  28 .
VR1      VR1 '(2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)ME' non-polymer        57  38 .
VRA      VRA 'N-{3,4-difluoro-2-[(2-fluoro-4-iodop' non-polymer        51  31 .
VRG      VRG '"N~2~-acetyl-N~5~-[N-(methylcarbamoy' non-polymer        72  39 .
VRS      VRS 'VIRGINIAMYCIN S1                    ' non-polymer       109  60 .
VRV      VRV '6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-' non-polymer        34  23 .
VRX      VRX '"(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)MET' non-polymer        40  26 .
VS1      VS1 '"3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PH' non-polymer        77  40 .
VS2      VS2 '3-[N-[BENZYLOXYCARBONYL]-PHENYLALANI' non-polymer        81  43 .
VS3      VS3 '"3-[N-[BENZYLOXYCARBONYL]-PHENYLALAN' non-polymer        81  46 .
VS4      VS4 '"3-[[N-[4-METHYL-PIPERAZINYL]CARBONY' non-polymer        87  44 .
VSC      VSC '.                                   ' non-polymer        79  43 .
VSO      VSO 'VINYLSULPHONIC ACID                 ' non-polymer        10   6 .
VSV      VSV '"N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIA' non-polymer        53  34 .
VTQ      VTQ 'RRR-ALPHA-TOCOPHERYLQUINONE         ' non-polymer        82  32 .
VX1      VX1 '4-[3-(4-chlorophenyl)-2,1-benzisoxaz' non-polymer        34  23 .
VX2      VX2 'N-cyclohexyl-3-[3-(trifluoromethyl)p' non-polymer        44  26 .
VX3      VX3 '2,3-diphenyl-1H-indole-7-carboxylic ' non-polymer        38  24 .
VX6      VX6 '"CYCLOPROPANECARBOXYLIC ACID {4-[4-(' non-polymer        61  33 .
VXA      VXA 'METHYLPHOSPHONIC ACID ESTER GROUP   ' non-polymer         8   4 .
VX       VX  'O-ETHYLMETHYLPHOSPHONIC ACID ESTER G' non-polymer        16   7 .
VXR      VXR '(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-' non-polymer        43  28 .
VXX      VXX 'VANILLATE                           ' non-polymer        23  13 .
VZZ      VZZ '11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC' non-polymer        38  17 .
W01      W01 '2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZ' non-polymer        45  24 .
W02      W02 '2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZ' non-polymer        45  24 .
W03      W03 '2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZ' non-polymer        46  24 .
W05      W05 'DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTE' non-polymer        41  22 .
W11      W11 '3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXA' non-polymer        45  27 .
W22      W22 '[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahy' non-polymer        30  17 .
W29      W29 '4-(3-ethylthiophen-2-yl)benzene-1,2-' non-polymer        27  15 .
W2X      W2X 'N~6~-[(1R)-1-({[(1R,2R)-1-CARBOXY-3-' non-polymer        48  26 .
W33      W33 '5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZ' non-polymer        45  24 .
W35      W35 '5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENO' non-polymer        45  23 .
W37      W37 'N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-' non-polymer        58  29 .
W42      W42 '"5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2' non-polymer        57  31 .
W43      W43 '"5-(7-(6-CHLORO-4-(5-HYDRO-4-METHYL-' non-polymer        54  27 .
W54      W54 '5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-' non-polymer        45  25 .
W56      W56 '5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL' non-polymer        48  24 .
W59      W59 '5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHE' non-polymer        57  27 .
W71      W71 '5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHEN' non-polymer        51  25 .
W72      W72 '"6-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY' non-polymer        41  21 .
W84      W84 '5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PH' non-polymer        54  26 .
W8R      W8R '5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PH' non-polymer        54  26 .
W91      W91 '"5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2' non-polymer        39  23 .
WAC      WAC 'N-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-hex' non-polymer        57  28 .
WAI      WAI '4-{2-[4-(2-AMINOETHYL)PIPERAZIN-1-YL' non-polymer        56  30 .
WAN      WAN '5-ethoxy-4-(1-methyl-7-oxo-3-propyl-' non-polymer        45  26 .
WAY      WAY 'N-HYDROXY-2-[(4-METHOXY-BENZENESULFO' non-polymer        51  30 .
WBT      WBT '3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PY' non-polymer        58  33 .
WBU      WBU '5-AMINO-1H-PYRIMIDINE-2,4-DIONE     ' non-polymer        14   9 .
WCC      WCC 'FE(3)-NI(1)-S(4) CLUSTER            ' non-polymer        12   8 .
W        W   'TUNGSTEN ION                        ' non-polymer         1   1 .
WFE      WFE 'N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrro' non-polymer        51  29 .
WFP      WFP '3,5-difluoro-L-phenylalanine        ' peptide            22  14 .
WH6      WH6 '"2-[(1R)-2-carboxy-1-(naphthalen-1-y' non-polymer        45  30 .
WI2      WI2 '1-[3-amino-6-(3-methoxyphenyl)pyrazi' non-polymer        43  24 .
WIA      WIA 'METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO' non-polymer        25  13 .
WIN      WIN '"methyl (5beta,7alpha,9beta,10alpha,' non-polymer        75  39 .
WO2      WO2 'OCTADECATUNGSTENYL DIPHOSPHATE      ' non-polymer       100  82 .
WO3      WO3 'TRI-TUNGSTEN(VI) OXIDE COMPLEX      ' non-polymer        16  16 .
WO4      WO4 'TUNGSTATE(VI)ION                    ' non-polymer         5   5 .
WO5      WO5 'TUNGSTATE(VI) ION                   ' non-polymer        11   6 .
WO6      WO6 'trioxido(oxo)tungsten               ' non-polymer         5   5 .
WOE      WOE '4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDI' non-polymer        26  16 .
WOW      WOW '2-chloro-4-{(2-methylbenzyl)[(3S)-1-' non-polymer        49  27 .
WP5      WP5 'METHYL [(4S)-6-BROMO-2-METHYL-4-PHEN' non-polymer        40  23 .
WP6      WP6 '(4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PH' non-polymer        44  25 .
WP7      WP7 '(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCAR' non-polymer        60  33 .
WPE      WPE 'N-{2-[(4S)-6-CHLORO-2-METHYL-4-PHENY' non-polymer        48  28 .
WPF      WPF '3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHY' non-polymer        51  25 .
WQP      WQP '5-(ACETYLAMINO)-3,5-DIDEOXY-2-O-PHOS' non-polymer        44  25 .
WR1      WR1 'NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)' non-polymer        55  29 .
WR2      WR2 '(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(M' non-polymer        64  31 .
WRA      WRA '6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPH' non-polymer        42  24 .
WRB      WRB '1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-' non-polymer        42  22 .
WRG      WRG '"(2S)-2-[[(2S)-2-acetamido-5-[[N-(me' non-polymer        60  31 .
WRR      WRR '4-HYDROXY-3-[(1S,3R)-3-HYDROXY-1-PHE' non-polymer        41  23 .
WRS      WRS '4-HYDROXY-3-[(1S,3S)-3-HYDROXY-1-PHE' non-polymer        41  23 .
WSA      WSA '5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]AD' non-polymer        61  37 .
WSK      WSK '(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL' non-polymer        40  22 .
WST      WST '(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2' non-polymer        39  21 .
WTC      WTC '6-benzyl-1-cyclopentyl-1,5-dihydro-4' non-polymer        40  22 .
WTI      WTI '4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-' non-polymer        40  25 .
WTJ      WTJ '2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][' non-polymer        44  24 .
WW2      WW2 'cyclohexyl (S)-methylphosphonofluori' non-polymer        25  11 .
WW7      WW7 'N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHAL' non-polymer        43  22 .
WW8      WW8 '"N-[(3S)-1-({6-chloro-3-[1-(4-chloro' non-polymer        82  44 .
WWF      WWF 'C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN ' non-polymer        58  32 .
WXV      WXV 'N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)P' non-polymer        52  29 .
WY2      WY2 '"(6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZ' non-polymer        35  24 .
WY4      WY4 '"7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,' non-polymer        33  21 .
WYE      WYE '(2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4' non-polymer        52  30 .
WYF      WYF '(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2' non-polymer        46  28 .
WZ1      WZ1 'methyl 3-S-alpha-D-mannopyranosyl-3-' non-polymer        48  24 .
WZ2      WZ2 '"methyl alpha-D-mannopyranosyl-(1->3' non-polymer        69  35 .
WZ3      WZ3 '"methyl alpha-D-mannopyranosyl-(1->3' non-polymer        69  35 .
WZ4      WZ4 '"methyl 2-(acetylamino)-2-deoxy-beta' non-polymer       117  60 .
WZ5      WZ5 '"methyl 2-(acetylamino)-2-deoxy-beta' non-polymer       117  60 .
WZA      WZA '(9BETA,14BETA,17BETA)-17-HYDROXY-2-M' non-polymer        53  26 .
WZB      WZB '"(9BETA,13ALPHA,14BETA,17ALPHA)-2-ET' non-polymer        60  30 .
WZC      WZC '"(13ALPHA,14BETA,17ALPHA)-3-HYDROXY-' non-polymer        53  26 .
X04      X04 '(2-AMINO-4-FORMYL-5-HYDROXY-6-METHYL' non-polymer        26  17 .
X05      X05 'AMINO-CASTANOSPERMINE               ' non-polymer        29  13 .
X09      X09 'AMINO-AUSTRALINE                    ' non-polymer        29  13 .
X0J      X0J '4-[4-(biphenyl-3-ylmethyl)piperazin-' non-polymer       101  55 .
X0T      X0T '7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIM' non-polymer        32  18 .
X0U      X0U '6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]B' non-polymer        22  14 .
X0V      X0V '4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMI' non-polymer        19  12 .
X0W      X0W '5,6-DIMETHOXY-2-METHYL-1,3-BENZOTHIA' non-polymer        25  14 .
X12      X12 '.                                   ' non-polymer       304 152 .
X13      X13 'N,N,N-trimethyl-13-[(methylsulfonyl)' non-polymer        60  22 .
X17      X17 '(5S)-2-amino-5-(4-methoxy-3-methylph' non-polymer        56  27 .
X1E      X1E '"(2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-O' non-polymer        25  14 .
X1H      X1H '[6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BEN' non-polymer        43  27 .
X1N      X1N '2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,' non-polymer        37  24 .
X1P      X1P '1-O-PHOSPHONO-ALPHA-D-XYLOPYRANOSE  ' non-polymer        23  14 .
X1R      X1R '3-(PROPYLSULFONYL)PROPANOIC ACID    ' non-polymer        22  11 .
X1S      X1S '3-SULFOPROPANOIC ACID               ' non-polymer        14   9 .
X22      X22 '(3S,6S,7S,9aS)-6-{[(2S)-2-aminobutan' non-polymer        72  36 .
X23      X23 '(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutan' non-polymer        73  36 .
X2F      X2F '2-DEOXY-2-FLUORO XYLOPYRANOSE       ' pyranose           19  10 .
X2K      X2K '(3Z)-5-amino-3-[(3,5-dimethyl-1H-pyr' non-polymer        34  19 .
X2L      X2L '(3Z)-5-AMINO-3-[(4-METHOXYPHENYL)MET' non-polymer        34  20 .
X2M      X2M '(3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL' non-polymer        32  18 .
X2N      X2N 'POSACONAZOLE                        ' non-polymer        93  51 .
X2W      X2W 'N-ACETYL-L-GLUTAMYL 5-PHOSPHATE     ' non-polymer        26  17 .
X37      X37 '4-(4-tert-butylbenzyl)-1-(7H-pyrrolo' non-polymer        57  27 .
X39      X39 '4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYR' non-polymer        48  27 .
X41      X41 '1-MYRISTOYL-2-MYRISTOLEOYL-SN-GLYCER' non-polymer        97  40 .
X45      X45 '(5S)-2-amino-5-(4-methoxy-3-methylph' non-polymer        51  29 .
X4A      X4A '[(2R,3S,5S)-2,3,5-TRIHYDROXYTETRAHYD' DNA                23  14 .
X4S      X4S 'beta-D-xylopyranosyl-(1->4)-4-thio-b' non-polymer        71  37 .
X4Z      X4Z '(3E)-N-[(1S)-2-(DIMETHYLAMINO)-1-PHE' non-polymer        63  35 .
X55      X55 '(2R)-3-benzyl-2-(2-bromo-4-hydroxy-5' non-polymer        39  23 .
X5S      X5S 'beta-D-xylopyranosyl-(1->4)-4-thio-b' non-polymer        88  46 .
X6D      X6D '6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZ' non-polymer        67  37 .
X6K      X6K '3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]' non-polymer        42  26 .
X7E      X7E '(4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYD' non-polymer        44  26 .
X7O      X7O '5-AMINO-3-METHYL-PYRROLIDINE-2-CARBO' non-polymer        21  10 .
X81      X81 '1-STEAROYL-2-OLEOYL-SN-GLYCERO-3-PHO' non-polymer       121  48 .
X8D      X8D '5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOL' non-polymer        24  15 .
X8E      X8E '5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZO' non-polymer        33  21 .
X8I      X8I '7-(3-hydroxyphenyl)-5-methyl[1,2,4]t' non-polymer        35  22 .
X8Z      X8Z 'L-CAPTOPRIL                         ' non-polymer        28  14 .
X92      X92 'RAMIPRILAT                          ' non-polymer        54  28 .
X93      X93 'TRANDOLAPRILAT                      ' non-polymer        57  29 .
X94      X94 'PERINDOPRILAT                       ' non-polymer        50  24 .
X95      X95 '(S)-1-N2-(1-CARBOXY-3-PHENYLPROPYL)-' non-polymer        68  36 .
X97      X97 '"3-{4-oxo-4-[(2S)-2-(pyrrolidin-1-yl' non-polymer        68  36 .
X98      X98 '"1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-yl' non-polymer        61  33 .
X99      X99 '2-{3-[(2S)-4,4-difluoro-2-(pyrrolidi' non-polymer        50  29 .
X9A      X9A '.                                   ' non-polymer       118  59 .
X9F      X9F 'N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYL' non-polymer        43  27 .
X9Q      X9Q '"{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZY' non-polymer        36  20 .
XAA      XAA '(1S,2S)-1-AMINO-1-(1,3-THIAZOL-2-YL)' non-polymer        20  10 .
XAD      XAD '9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-' non-polymer        37  23 .
XAE      XAE '"3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERY' DNA                40  26 .
XAH      XAH '5'-O-{(R)-hydroxy[(L-lysylamino)oxy]' non-polymer        59  33 .
XAL      XAL '"[(1S,4R,6R)-6-HYDROXY-4-(ADENIN-9-Y' DNA                37  23 .
XAN      XAN 'XANTHINE                            ' non-polymer        15  11 .
XAO      XAO 'CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-MET' non-polymer        46  17 .
XAP      XAP '3-AMINOOXY-1-AMINOPROPANE           ' non-polymer        16   6 .
XAR      XAR '"[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-9-Y' non-polymer        37  23 .
XAT      XAT '.                                   ' non-polymer       100  44 .
XAV      XAV '2-[4-(trifluoromethyl)phenyl]-7,8-di' non-polymer        32  21 .
XBB      XBB '(3S)-2,3,4,5-TETRAHYDROPYRIDIN-3-AMI' non-polymer        17   7 .
XBK      XBK '4,5-DE-EPOXYPIMARICIN               ' non-polymer        92  46 .
XBP      XBP 'XYLULOSE-1,5-BISPHOSPHATE           ' non-polymer        26  18 .
XBT      XBT '2-[(1R)-1-methylpropyl]-4,5-dihydro-' non-polymer        22   9 .
XBV      XBV '"(3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRR' non-polymer        57  36 .
XC2      XC2 '"(3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-Y' non-polymer        61  34 .
XCC      XCC 'FE(4)-NI(1)-S(4) CLUSTER            ' non-polymer        12   9 .
XCF      XCF '5-[[(2R)-2-cyclopropyl-7,8-dimethoxy' non-polymer        48  26 .
XCG      XCG '2-(2-BENZOFURANYL)-2-IMIDAZOLINE    ' non-polymer        22  14 .
X        X   '.                                   ' DNA                72  47 .
XCL      XCL '"[(1S,4R,6R)-6-HYDROXY-4-(CYTOSIN-9-' DNA                35  21 .
XCP      XCP '(1S,2S)-2-aminocyclopentanecarboxyli' non-polymer        19   9 .
XCS      XCS '"(1R)-1-(4-AMINO-6-METHYL-2-OXO-1,2-' DNA                41  25 .
XCT      XCT '"4-AMINO-1-(2,3-DIDEOXY-6-O-PHOSPHON' non-polymer        35  21 .
XCY      XCY '"{5-[4-{[4-(AMINOMETHYL)BENZYL]AMINO' DNA                50  29 .
XD6      XD6 '"(5Z)-13-CHLORO-14,16-DIHYDROXY-1,11' non-polymer        44  25 .
XDK      XDK '2-AMINO-4-PYRIDYL-PYRIMIDINE        ' non-polymer        21  13 .
XDL      XDL 'XYLOSE-DERIVED ISOFAGOMINE LACTAM   ' non-polymer        17   8 .
XDN      XDN 'PIPERIDINE-3,4,5-TRIOL              ' non-polymer        20   9 .
XDP      XDP 'D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE' non-polymer        29  19 .
XDR      XDR '"hexyl (5S,6R,8R)-6-hydroxy-5-methyl' non-polymer        69  40 .
XE4      XE4 '"1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-' non-polymer        63  29 .
XE       XE  'XENON                               ' non-polymer         1   1 .
XED      XED 'DEXTROFLOXACINE                     ' non-polymer        45  26 .
XEZ      XEZ '6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-' non-polymer        28  19 .
XFE      XFE '(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]py' non-polymer        31  16 .
XFI      XFI '"N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAM' non-polymer        85  43 .
XG4      XG4 '"2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hyd' non-polymer        46  31 .
XGA      XGA '"6-AMINO-3-(2-DEOXY-5-O-PHOSPHONO-BE' DNA                41  27 .
XGL      XGL '"[(1S,4R,6R)-6-HYDROXY-4-(GUANIN-9-Y' DNA                38  24 .
XGP      XGP '1-O-phosphono-beta-D-glucopyranose  ' non-polymer        27  16 .
XGU      XGU '"2-AMINO-9-(2,3-DIDEOXY-6-O-PHOSPHON' non-polymer        38  24 .
XI2      XI2 '6-(2,4-difluorophenoxy)-N-[(1R)-1-me' non-polymer        41  26 .
XI7      XI7 '2-4-DIOXO-4-PHENYLBUTANOIC ACID     ' non-polymer        21  14 .
XIF      XIF 'PIPERIDINE-3,4-DIOL                 ' non-polymer        19   8 .
XIG      XIG '.                                   ' non-polymer        69  43 .
XIH      XIH '2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1' non-polymer        52  29 .
XIL      XIL '3-HYDROXY-4-(3,4,5-TRIHYDROXY-TETRAH' non-polymer        35  18 .
XIM      XIM '5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYR' non-polymer        22  12 .
XIN      XIN '"methyl (3Z)-3-{[(4-{methyl[(4-methy' non-polymer        73  40 .
XJG      XJG '1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-' non-polymer        44  23 .
XJH      XJH '6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrr' non-polymer        50  27 .
XJX      XJX '(2,4-DIHYDROXY-5-PROPAN-2-YL-PHENYL)' non-polymer        59  30 .
XK2      XK2 '[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEX' non-polymer        84  46 .
XK3      XK3 '4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)P' non-polymer        43  23 .
XL3      XL3 'propane-1-thiol                     ' non-polymer        12   4 .
XLC      XLC '3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPH' non-polymer        57  34 .
XLD      XLD '3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2' non-polymer        56  36 .
XLF      XLF 'beta-D-xylulofuranose               ' non-polymer        20  10 .
XLI      XLI '"N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(' non-polymer        89  37 .
XLM      XLM 'METHYL 3-O-BETA-D-XYLOPYRANOSYL-ALPH' non-polymer        44  22 .
XLS      XLS 'D-XYLOSE (LINEAR FORM)              ' non-polymer        20  10 .
XM1      XM1 '(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(' non-polymer        51  28 .
XM5      XM5 '6-methoxy-9-methyl[1,3]dioxolo[4,5-h' non-polymer        28  17 .
XMA      XMA '"(-)-7-[(6-CHLORO-2-NAPHTHALENYL)SUL' non-polymer        67  38 .
XMB      XMB '4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL' non-polymer        75  41 .
XMC      XMC '4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULF' non-polymer        76  42 .
XMD      XMD '"(2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SU' non-polymer        70  39 .
XME      XME '4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL' non-polymer        65  37 .
XMF      XMF '4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL' non-polymer        65  36 .
XMG      XMG '"4-[(6-CHLORO-2-NAPHTHALENYL)SULFONY' non-polymer        64  36 .
XMH      XMH '"4-[(6-CHLORO-2-NAPHTHALENYL)SULFONY' non-polymer        71  38 .
XMI      XMI '4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL' non-polymer        61  34 .
XMJ      XMJ '4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]S' non-polymer        59  32 .
XMK      XMK '1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]S' non-polymer        60  31 .
XMM      XMM '(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO' pyranose           38  23 .
XMP      XMP 'XANTHOSINE-5'-MONOPHOSPHATE         ' non-polymer        36  24 .
XN1      XN1 'N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIA' non-polymer        95  46 .
XN2      XN2 'N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIA' non-polymer        99  49 .
XN3      XN3 '"N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2' non-polymer        96  48 .
XNC      XNC '"(11S)-11-[4-(benzyloxy)-2-fluorophe' non-polymer        76  44 .
XND      XND '(11R)-10-acetyl-11-(2,4-dichlorophen' non-polymer        52  30 .
XNI      XNI '(11S)-10-acetyl-11-[4-(benzyloxy)-3-' non-polymer        65  36 .
XNW      XNW '"(1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4' non-polymer        39  22 .
XNZ      XNZ '(11R)-10-acetyl-11-[4-(benzyloxy)-2-' non-polymer        66  37 .
XP1      XP1 '4-(DIMETHYLAMINO)BENZOIC ACID       ' non-polymer        22  12 .
XP4      XP4 '1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHA' non-polymer        99  40 .
XP8      XP8 'O-phosphono-N-(8-sulfanyloctanoyl)-L' non-polymer        43  22 .
XP9      XP9 'O-phosphono-N-(9-sulfanylnonanoyl)-L' non-polymer        46  23 .
XPA      XPA '1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHAT' non-polymer        75  32 .
XPC      XPC '(3S,4R)-4-aminopyrrolidine-3-carboxy' non-polymer        18   9 .
XPE      XPE '3,6,9,12,15,18,21,24,27-NONAOXANONAC' non-polymer        73  31 .
XPX      XPX '"(2R)-3-[(HYDROXY{[(2R,3R,5S,6R)-3,4' non-polymer       175  77 .
XR2      XR2 '1-METHYL-9-[12-(9-METHYLPHENAZIN-10-' non-polymer        82  44 .
XRG      XRG '1-methyl-3-(N-methylcarbamimidoyl)ur' non-polymer        19   9 .
XS2      XS2 'METHYL4,4II,4III,4IV-TETRATHIO-BETA-' non-polymer        91  47 .
XT1      XT1 '.                                   ' non-polymer       127  58 .
XT2      XT2 '.                                   ' non-polymer       124  57 .
XTG      XTG '4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYL' non-polymer        53  30 .
XTH      XTH '"1-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D' non-polymer        37  22 .
XTL      XTL '"[(1S,4R,6R)-6-HYDROXY-4-(THYMIN-9-Y' DNA                37  22 .
XTN      XTN '2-amino-1,5-dihydropteridine-4,6-dio' non-polymer        18  13 .
XTR      XTR '"[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2' DNA                37  22 .
XTS      XTS '"9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(H' non-polymer        32  20 .
XTY      XTY '"(1R)-1,4-ANHYDRO-2-DEOXY-1-(6-METHY' DNA                40  25 .
XUA      XUA '.                                   ' DNA                38  24 .
XUG      XUG '.                                   ' DNA                39  25 .
XUL      XUL 'D-XYLULOSE                          ' non-polymer        20  10 .
XV1      XV1 '7-(2-fluorobenzyl)quinolin-8-ol     ' non-polymer        31  19 .
XV6      XV6 '.                                   ' non-polymer        92  54 .
XX1      XX1 'N~6~-7H-PURIN-6-YL-L-LYSINE         ' peptide            34  19 .
XX2      XX2 '1-KETO,2-HYDROXY,4-NITROBENZENE, 1 E' non-polymer        16  11 .
XX3      XX3 '(1S)-1-HYDROPEROXY-1-HYDROXY-2-KETO-' non-polymer        18  13 .
XX4      XX4 '3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)' non-polymer        61  31 .
XX5      XX5 '"(S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLO' non-polymer        49  28 .
XX6      XX6 '2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLO' non-polymer        48  25 .
XX7      XX7 '2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLO' non-polymer        48  25 .
XXG      XXG '3,3-dihydroxy-4-oxocyclohexa-1,5-die' non-polymer        19  13 .
XXP      XXP '2-KETO,5-NITRO,6-HYDROXY-3,5-HEXADIE' non-polymer        17  13 .
XXX      XXX '(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)' non-polymer        48  22 .
XXY      XXY '"2-[(1R,2R)-1-amino-2-hydroxypropyl]' non-polymer        36  21 .
XXZ      XXZ '"1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUOR' non-polymer        49  27 .
XY2      XY2 'N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITRO' non-polymer        36  21 .
XYA      XYA '2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-H' non-polymer        32  19 .
XYD      XYD '2,5-DIMETHYLANILINE                 ' non-polymer        20   9 .
XYF      XYF '5(R)-5-FLUORO-BETA-D-XYLOPYRANOSYL-E' non-polymer        19  11 .
XYG      XYG '"[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-HY' non-polymer        33  21 .
XYH      XYH 'XYLAROHYDROXAMATE                   ' non-polymer        21  13 .
XYL      XYL 'D-XYLITOL                           ' non-polymer        22  10 .
XYP      XYP 'BETA-D-XYLOPYRANOSE                 ' non-polymer        20  10 .
XYQ      XYQ '.                                   ' non-polymer        62  39 .
XYS      XYS 'XYLOPYRANOSE                        ' pyranose           20  10 .
XYZ      XYZ 'BETA-D-XYLOFURANOSE                 ' non-polymer        20  10 .
Y11      Y11 'N-[(1S)-2-[(4-cyano-1-methylpiperidi' non-polymer        64  29 .
Y12      Y12 '4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMIN' non-polymer        48  27 .
Y13      Y13 '(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4' non-polymer        39  22 .
Y14      Y14 'N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyr' non-polymer        71  34 .
Y15      Y15 'N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cya' non-polymer        69  33 .
Y19      Y19 '1-deoxy-1-{[(5S)-2,6-dioxo-5-(propan' non-polymer        43  23 .
Y1       Y1  'YTTRIUM ION                         ' non-polymer         1   1 .
Y27      Y27 '(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRI' non-polymer        39  18 .
Y28      Y28 'O-benzyl-N-(carboxycarbonyl)-D-tyros' non-polymer        40  25 .
Y3       Y3  '4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2' non-polymer        34  23 .
Y8L      Y8L '"3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZI' non-polymer        49  27 .
YAK      YAK 'N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4' non-polymer        59  36 .
YAM      YAM 'N-methyl-N-{3-[({2-[(2-oxo-2,3-dihyd' non-polymer        55  35 .
YAN      YAN '1,2-DICHLOROBENZENE                 ' non-polymer        12   8 .
YB2      YB2 'YTTERBIUM (II) ION                  ' non-polymer         1   1 .
YB       YB  'YTTERBIUM (III) ION                 ' non-polymer         1   1 .
YBH      YBH '"4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-' non-polymer        67  40 .
YBT      YBT 'BIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDRO' non-polymer        34  15 .
YBY      YBY 'N-{[(1S)-1-carboxy-2-(4-hydroxy-3-io' non-polymer        40  26 .
YC2      YC2 '"N-{[(1S)-1-carboxy-5-{[(4-iodopheny' non-polymer        52  31 .
Y        Y   '.                                   ' DNA                51  31 .
YCM      YCM 'S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE   ' peptide            20  11 .
YCP      YCP '(2S)-piperidine-2-carboxylic acid   ' non-polymer        19   9 .
YDP      YDP '(3S,4S),-3,4-Bis-[(4-carbamoyl-benze' non-polymer        78  41 .
YE1      YE1 '.                                   ' non-polymer        98  59 .
YE6      YE6 '5-(2-chlorophenyl)furan-2-carbohydra' non-polymer        25  16 .
YE7      YE7 'IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHY' non-polymer        27  17 .
YEN      YEN '"N-{(2S)-4-(methylamino)-4-oxo-2-[4-' non-polymer        65  38 .
YES      YES '3-(2-hydroxyethyl)-2,2-bis(hydroxyme' non-polymer        34  14 .
YET      YET '1-cyano-2-(2-methyl-1-benzofuran-5-y' non-polymer        60  32 .
YF3      YF3 '2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)' non-polymer        30  14 .
YF4      YF4 '5-{[ETHYL(METHYL)AMINO]METHYL}-2-MET' non-polymer        29  13 .
YG       YG  'WYBUTOSINE                          ' RNA                67  40 .
YHO      YHO '(1S,2S,3R,4R)-4-aminocyclopentane-1,' non-polymer        20   9 .
YIN      YIN '(6R,7S)-6,7-bis(4-bromophenyl)-7,11-' non-polymer        47  31 .
YLL      YLL '(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL' non-polymer        27  13 .
YLY      YLY '"(2R)-2-AMINO-6-({[(2S,3R)-3-METHYLP' non-polymer        74  40 .
YM4      YM4 '6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL' non-polymer        67  36 .
YMA      YMA '7,10,13-TRI(CARBOXYMETHYL)-5,15-DIOX' non-polymer        63  33 .
YML      YML '[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-T' non-polymer        40  17 .
YMP      YMP 'O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)P' non-polymer        59  35 .
YNM      YNM 'N-METHYL-L-TYROSINE                 ' non-polymer        26  14 .
YOF      YOF '3-FLUOROTYROSINE                    ' peptide            23  14 .
YOK      YOK '"[[2,2'-[4-CARBOXYETHYL-1,2-PHENYLEN' non-polymer        47  30 .
YOL      YOL '"[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(' non-polymer        41  28 .
YOM      YOM '2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYL' non-polymer        39  25 .
YPA      YPA '(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PH' non-polymer        54  30 .
YR1      YR1 '"2-hydroxy-5-[(5S)-3-hydroxy-5-(4-ni' non-polymer        49  34 .
YR3      YR3 '(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hyd' non-polymer        75  33 .
YRG      YRG '(2S)-2-(4-chlorophenoxy)-3-phenylpro' non-polymer        31  19 .
YRR      YRR '3-HYDROXY-PYRROLIDIN-2-YLMETHYL-MONO' DNA                22  12 .
YSA      YSA '5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSI' non-polymer        58  35 .
YSH      YSH '1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1' non-polymer        38  22 .
YT3      YT3 'YTTRIUM (III) ION                   ' non-polymer         1   1 .
YTB      YTB '(1R,2R,3S,4R,5R)-5-aminocyclopentane' non-polymer        21  10 .
YTT      YTT '(3S,6S)-3,6-bis(4-hydroxybenzyl)pipe' non-polymer        42  24 .
YVN      YVN 'N-({(1R,2R,3S)-2-(methylcarbamoyl)-3' non-polymer        64  36 .
YVQ      YVQ '3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL' non-polymer        35  23 .
YX0      YX0 '"[(3E)-3-(1-hydroxyethylidene)-2,3-d' non-polymer        39  20 .
YX1      YX1 '2-deoxy-2-{[(2-hydroxy-1-methylhydra' non-polymer        35  18 .
YYG      YYG '"4-(3-[5-O-PHOSPHONORIBOFURANOSYL]-4' RNA                67  40 .
YYY      YYY 'DEOXYCYTIDINE DIPHOSPHATE           ' non-polymer        36  24 .
YZ9      YZ9 '7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLI' non-polymer        27  17 .
YZE      YZE 'N~2~-{[(1S)-1-carboxybut-3-en-1-yl]c' non-polymer        51  29 .
Z12      Z12 '2,4-dichloro-N-[3,5-dichloro-4-(quin' non-polymer        43  31 .
Z22      Z22 'S-methyl methanesulfonothioate      ' non-polymer        12   6 .
Z23      Z23 'DI[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-' non-polymer        48  29 .
Z27      Z27 '2-chloro-N-{3-chloro-4-[(5-chloro-1,' non-polymer        43  33 .
Z34      Z34 'N-[2-[5-[AMINO(IMINO)METHYL]-2-HYDRO' non-polymer        61  38 .
Z48      Z48 'N-[(1S)-2-hydroxy-1-phenylethyl]-4-[' non-polymer        54  31 .
Z59      Z59 '(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-' non-polymer        48  26 .
Z5A      Z5A 'P1-(5'-ADENOSYL)P5-(5'-(3'AZIDO-3'-D' non-polymer        81  57 .
Z64      Z64 'N-[4-(5-furan-2-yl-3-methyl-1H-pyraz' non-polymer        47  26 .
Z69      Z69 '.                                   ' non-polymer       237  97 .
Z70      Z70 '(2S)-2-amino-4-(2-amino-1H-imidazol-' peptide            24  13 .
Z72      Z72 '8-(cyclopentyloxy)-4-[(3,5-dichlorop' non-polymer        46  28 .
Z73      Z73 '2-methoxy-6,7-dimethyl-9-propylimida' non-polymer        38  20 .
Z74      Z74 '"N'-{(1S,2S)-1-(3,5-difluorobenzyl)-' non-polymer        88  46 .
Z75      Z75 '"N'-[(1S,2S)-2-[(2R)-4-benzylpiperaz' non-polymer        88  44 .
Z76      Z76 'N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-' non-polymer        90  48 .
Z77      Z77 '1-[(6,7-dimethyl-2-oxo-1,2-dihydroqu' non-polymer        54  29 .
Z78      Z78 '3-(2-fluorophenyl)-1-(2-hydroxyethyl' non-polymer        47  27 .
Z79      Z79 'N-hydroxy-N~2~-[(4-methoxyphenyl)sul' non-polymer        29  17 .
Z81      Z81 '"(5S)-2-amino-5-(2',5'-difluorobiphe' non-polymer        44  28 .
Z82      Z82 '4-bromobenzoic acid                 ' non-polymer        14  10 .
Z88      Z88 'N-[(4-bromophenyl)sulfonyl]acetamide' non-polymer        22  14 .
Z89      Z89 '"(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-d' non-polymer        33  26 .
Z90      Z90 '"4-({(4-carboxybutyl)[2-(2-{[4-(2-ph' non-polymer        79  42 .
Z92      Z92 '(4E)-4-[(4-chlorophenyl)hydrazono]-5' non-polymer        40  25 .
Z94      Z94 'N-{4-[(4S)-2,5-dioxoimidazolidin-4-y' non-polymer        28  17 .
Z96      Z96 '"tert-butyl 4-{(11S)-8-chloro-6-[(R)' non-polymer        69  37 .
Z97      Z97 '(E)-N~5~-({3-hydroxy-2-methyl-5-[(ph' non-polymer        41  24 .
Z98      Z98 '"(2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-' non-polymer        38  23 .
Z99      Z99 '2-[(1S,2S)-2-carboxycyclopropyl]-3-(' non-polymer        43  26 .
ZAA      ZAA '"(5-{3-[2-(5-methyl-2-phenyl-1,3-oxa' non-polymer        62  37 .
ZAB      ZAB '(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZE' non-polymer        34  20 .
ZAD      ZAD '(S)-1'-(2',3'-DIHYDROXYPROPYL)-ADENI' non-polymer        29  19 .
ZAE      ZAE 'N-methyl-D-phenylalanine            ' non-polymer        25  13 .
ZAF      ZAF '"O-(((1R)-((N-PHENYLMETHOXYCARBONYL-' non-polymer        59  33 .
ZAH      ZAH 'N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-P' non-polymer        42  23 .
ZAL      ZAL '3-cyclohexyl-D-alanine              ' peptide            28  12 .
ZAM      ZAM '3-[(ACETYL-METHYL-AMINO)-METHYL]-4-A' non-polymer        54  28 .
ZAP      ZAP '[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDI' non-polymer        43  25 .
ZAR      ZAR '6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENY' non-polymer        29  19 .
ZAT      ZAT '4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYL' non-polymer        54  30 .
ZBA      ZBA '12,13-Epoxytrichothec-9-ene-3,4,8,15' non-polymer        65  33 .
ZBC      ZBC '"(2S)-3-(4-AMINO-5-BROMO-2-OXOPYRIMI' non-polymer        27  18 .
ZBT      ZBT '2-[(1S)-1-methylpropyl]-4,5-dihydro-' non-polymer        22   9 .
Z        Z   '1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYT' DNA                30  19 .
ZCT      ZCT '.                                   ' non-polymer        70  46 .
ZCY      ZCY '(S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOS' non-polymer        27  17 .
ZD6      ZD6 '4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7' non-polymer        54  30 .
ZDP      ZDP '(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANED' non-polymer        28  14 .
ZDR      ZDR '(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANED' non-polymer        28  14 .
ZDU      ZDU '5-(3-AMINOPROPYL)-2'-DEOXYURIDINE-5'' DNA                42  24 .
ZEA      ZEA '(2E)-2-methyl-4-(9H-purin-6-ylamino)' non-polymer        29  16 .
ZEB      ZEB '4-HYDROXY-3,4-DIHYDRO-ZEBULARINE    ' non-polymer        31  17 .
ZEC      ZEC '6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFON' non-polymer        20  14 .
ZED      ZED 'L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METH' non-polymer        39  21 .
ZEM      ZEM '20-OXO-PROTOPORPHYRIN IX CONTAINING ' non-polymer        74  44 .
ZEN      ZEN '.                                   ' non-polymer        61  34 .
ZES      ZES '"[3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLO' non-polymer        36  26 .
ZEX      ZEX '.                                   ' non-polymer        98  42 .
ZEZ      ZEZ '(2Z)-2-methyl-4-(9H-purin-6-ylamino)' non-polymer        29  16 .
ZFB      ZFB '(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-' non-polymer        42  24 .
ZGU      ZGU '(S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANI' non-polymer        30  20 .
ZH1      ZH1 '.                                   ' non-polymer        50  28 .
ZHH      ZHH '2-(4-METHOXYPHENYL)ETHANAMINE       ' non-polymer        24  11 .
ZHP      ZHP '(S)-1'-(2',3'-DIHYDROXYPROPYL)-HYDRO' non-polymer        30  18 .
ZHZ      ZHZ '2-(4-METHOXYPHENYL)ACETAMIDE        ' non-polymer        23  12 .
ZID      ZID 'ISONICOTINIC-ACETYL-NICOTINAMIDE-ADE' non-polymer        81  52 .
ZIG      ZIG '2,4-difluoro-N-[2-methoxy-5-(4-pyrid' non-polymer        53  36 .
ZIN      ZIN '7-(pyridin-2-ylmethyl)quinolin-8-ol ' non-polymer        30  18 .
ZIO      ZIO '.                                   ' non-polymer       109  48 .
ZIP      ZIP 'N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6' non-polymer        28  15 .
ZIT      ZIT 'AZITHROMYCIN                        ' non-polymer       124  52 .
ZK1      ZK1 '"{[7-morpholin-4-yl-2,3-dioxo-6-(tri' non-polymer        42  27 .
ZK5      ZK5 '9ALPHA-FLUOROCORTISOL               ' non-polymer        56  27 .
ZK9      ZK9 '[3-AMINOMETHYLPHENYL-OXY-]-[BENZAMID' non-polymer        48  28 .
ZKD      ZKD 'URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N' non-polymer        65  39 .
ZLD      ZLD 'N-{[(5S)-3-(3-fluoro-4-morpholin-4-y' non-polymer        44  24 .
ZMA      ZMA '4-{2-[(7-amino-2-furan-2-yl[1,2,4]tr' non-polymer        40  25 .
ZMG      ZMG '(5R)-2-[(2-fluorophenyl)amino]-5-(1-' non-polymer        30  17 .
ZMO      ZMO '{[(3S)-3-hydroxy-2,2-dimethyl-4-{[3-' non-polymer        94  40 .
ZMP      ZMP '({(3S)-3-hydroxy-2,2-dimethyl-4-oxo-' non-polymer        84  36 .
ZMQ      ZMQ '{[(3S)-4-{[3-({2-[(9Z)-hexadec-9-eno' non-polymer        88  38 .
ZMR      ZMR 'ZANAMIVIR                           ' non-polymer        42  23 .
ZN       ZN  'ZINC ION                            ' non-polymer         1   1 .
ZNH      ZNH 'PROTOPORPHYRIN IX CONTAINING ZN     ' non-polymer        73  43 .
ZNP      ZNP '(2R)-2-benzyl-3-nitropropanamide    ' non-polymer        27  15 .
ZOL      ZOL 'ZOLEDRONIC ACID                     ' non-polymer        26  16 .
ZOP      ZOP '(3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENY' non-polymer        71  37 .
ZP4      ZP4 '.                                   ' non-polymer        77  53 .
ZPG      ZPG '(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14' non-polymer        73  29 .
ZPQ      ZPQ 'N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETH' non-polymer        99  45 .
ZPR      ZPR 'N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLI' non-polymer        46  24 .
ZRA      ZRA 'BENZOYL-ARGININE-ALANINE-METHYL KETO' non-polymer        56  27 .
ZRC      ZRC 'OXO ZIRCONIUM(IV) CLUSTER           ' non-polymer        21  21 .
ZRG      ZRG '"(2S)-2-acetamido-N-methyl-5-[[N-(me' non-polymer        42  20 .
ZS4      ZS4 '2-(difluoromethyl)-1-(4,6-dimorpholi' non-polymer        51  30 .
ZST      ZST '"3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROME' non-polymer        40  29 .
ZTH      ZTH '(S)-1'-(2',3'-DIHYDROXYPROPYL)-THYMI' non-polymer        29  18 .
ZTW      ZTW 'RALOXIFENE CORE                     ' non-polymer        27  17 .
ZU3      ZU3 'N-[(benzyloxy)carbonyl]-3-[(2,2-dime' non-polymer        93  44 .
ZU5      ZU5 'N-[(benzyloxy)carbonyl]-O-tert-butyl' non-polymer        97  45 .
ZUK      ZUK '5-pyrimidin-2-yl-D-norvaline        ' peptide            26  14 .
ZWZ      ZWZ '(2R,3R,4R,5R,6S)-2-(aminomethyl)-6-m' non-polymer        28  12 .
ZX0      ZX0 '(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3' non-polymer        44  23 .
ZX1      ZX1 '(3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3' non-polymer        44  23 .
ZX5      ZX5 '3-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6' non-polymer        50  25 .
ZX6      ZX6 '2-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6' non-polymer        47  24 .
ZX7      ZX7 'N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydrox' non-polymer        44  23 .
ZX8      ZX8 'N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydrox' non-polymer        43  23 .
ZX9      ZX9 '(2S)-2-cyclopentyl-2-phenyl-N-{[(2R,' non-polymer        56  26 .
ZXA      ZXA 'N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydrox' non-polymer        33  15 .
ZXB      ZXB '(2S,3R,4S,5R)-2-benzylpiperidine-3,4' non-polymer        33  16 .
ZXD      ZXD '(2S,3R,4S,5R)-2-(1-methylethyl)piper' non-polymer        29  12 .
ZY0      ZY0 '"N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3' non-polymer        79  44 .
ZY1      ZY1 '"N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3' non-polymer        80  42 .
ZY2      ZY2 '"N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3' non-polymer        84  43 .
ZY3      ZY3 '"N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3' non-polymer        81  41 .
ZY4      ZY4 '"N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(T' non-polymer        78  40 .
ZY5      ZY5 '4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(' non-polymer        40  22 .
ZY6      ZY6 '1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-' non-polymer        42  23 .
ZY7      ZY7 '(3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLI' non-polymer        43  23 .
ZYA      ZYA 'BENZOYL-TYROSINE-ALANINE-METHYL KETO' non-polymer        52  28 .
ZYE      ZYE '"N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3' non-polymer        79  41 .
ZYN      ZYN '6-(3-chloro-4-fluorobenzyl)-4-hydrox' non-polymer        53  30 .
ZYO      ZYO '"(6S)-2-(3-chloro-4-fluorobenzyl)-8-' non-polymer        60  36 .
ZYP      ZYP '5-(1,1-dioxido-1,2-thiazinan-2-yl)-N' non-polymer        49  30 .
ZYQ      ZYQ 'N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]' non-polymer        26  15 .
ZYR      ZYR '5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3' non-polymer        24  14 .
ZYS      ZYS '[4-amino-2-(tert-butylamino)-1,3-thi' non-polymer        36  19 .
ZYT      ZYT '2-(methylsulfanyl)-5-(thiophen-2-ylm' non-polymer        24  14 .
ZYU      ZYU '6-MORPHOLIN-4-YL-9H-PURINE          ' non-polymer        26  15 .
ZYV      ZYV '1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2' non-polymer        31  17 .
ZYW      ZYW '1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B' non-polymer        32  18 .
ZYX      ZYX '4-(2-AMINOETHYL)BENZENESULFONAMIDE  ' non-polymer        25  13 .
ZYY      ZYY '"N-[(6S)-2-(4-fluorobenzyl)-10-hydro' non-polymer        60  34 .
ZYZ      ZYZ '"(4-{(2S)-2-[(tert-butoxycarbonyl)am' non-polymer        47  24 .
ZZ0      ZZ0 '2-(4-CHLORO-PHENYLAMINO)-NICOTINIC A' non-polymer        25  17 .
ZZ1      ZZ1 '4-METHYL-2H-CHROMEN-2-ONE           ' non-polymer        20  12 .
ZZ2      ZZ2 '4-(2-methoxyethoxy)-6-methylpyrimidi' non-polymer        26  13 .
ZZ3      ZZ3 '4-METHYL-6-(METHYLSULFANYL)-1,3,5-TR' non-polymer        18  10 .
ZZ4      ZZ4 '4-(2,4-dichlorophenyl)-5-phenyldiaze' non-polymer        34  23 .
ZZ5      ZZ5 '3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENY' non-polymer        40  25 .
ZZ6      ZZ6 '2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETH' non-polymer        35  23 .
ZZ7      ZZ7 '"(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phe' non-polymer        44  25 .
ZZ8      ZZ8 '2-(ACETYLAMINO)BENZOIC ACID         ' non-polymer        21  13 .
ZZ9      ZZ9 '5'-O-[(S)-hydroxy{[(1R)-1-hydroxyund' non-polymer        70  35 .
ZZA      ZZA '1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC AC' non-polymer        21  14 .
ZZB      ZZB '.                                   ' non-polymer        56  36 .
ZZC      ZZC '"[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL' non-polymer        56  35 .
ZZD      ZZD 'S-TRITYL-L-CYSTEINE                 ' peptide            46  26 .
ZZE      ZZE '"5-{[3,5-diethyl-1-(2-hydroxyethyl)-' non-polymer        41  23 .
ZZF      ZZF '4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY' non-polymer        44  26 .
ZZG      ZZG '"4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-Y' non-polymer        60  34 .
ZZH      ZZH '(2S)-2-(4-benzylphenoxy)-3-phenylpro' non-polymer        44  25 .
ZZI      ZZI '(2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPY' non-polymer        36  15 .
ZZJ      ZZJ 'N^2^-methyl-L-alaninamide           ' non-polymer        17   7 .
ZZK      ZZK '4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)P' non-polymer        40  25 .
ZZL      ZZL '"4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)' non-polymer        48  34 .
ZZM      ZZM '1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETH' non-polymer        35  21 .
ZZN      ZZN '2-{[4-amino-3-(3-fluoro-5-hydroxyphe' non-polymer        60  38 .
ZZO      ZZO '2-{[4-amino-3-(3-fluoro-4-hydroxyphe' non-polymer        60  38 .
ZZP      ZZP 'N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2' non-polymer        51  32 .
ZZQ      ZZQ '2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,' non-polymer        57  34 .
ZZU      ZZU '(2S,3S)-HYDROXYARGININE             ' peptide            26  13 .
ZZV      ZZV 'N-[7-(4-fluorobenzyl)-9-hydroxy-8-ox' non-polymer        47  29 .
ZZW      ZZW '9-(4-fluorobenzyl)-N-hydroxy-9H-beta' non-polymer        39  25 .
ZZX      ZZX '"(6S)-2-(3-chloro-4-fluorobenzyl)-8-' non-polymer        53  32 .
ZZY      ZZY '1-[(2-NITROPHENYL)SULFONYL]-1H-PYRRO' non-polymer        34  24 .
ZZZ      ZZZ '6-FORMYLTETRAHYDROPTERIN            ' non-polymer        23  14 .
#
# ---   LIST OF RECOGNIZED MODIFIED MONOMERS ---
#
data_deriv_list
loop_
_chem_comp_deriv.comp_id
_chem_comp_deriv.source_comp_id
_chem_comp_deriv.mod_id
_chem_comp_deriv.name
_chem_comp_deriv.group
 ALA-D    ALA      PEPT-D   D-ALANINE                        D-peptide
 ARG-D    ARG      PEPT-D   D-ARGININE                       D-peptide
 ASN-D    ASN      PEPT-D   D-ASPARAGINE                     D-peptide
 ASP-D    ASP      PEPT-D   D-ASPARTIC-ACID                  D-peptide
 CSH-D    CSH      PEPT-D   D-CYSTEINE                       D-peptide
 CYS-D    CYS      PEPT-D   D-CYSTINE                        D-peptide
 GLN-D    GLN      PEPT-D   D-GLUTAMINE                      D-peptide
 GLU-D    GLU      PEPT-D   D-GLUTAMIC-ACID                  D-peptide
 HIS-D    HIS      PEPT-D   D-HISTIDINE                      D-peptide
 ILE-D    ILE      PEPT-D   D-ISOLEUCINE                     D-peptide
 LEU-D    LEU      PEPT-D   D-LEUCINE                        D-peptide
 LYS-D    LYS      PEPT-D   D-LYSINE                         D-peptide
 MET-D    MET      PEPT-D   D-METHIONINE                     D-peptide
 MSE-D    MSE      PEPT-D   D-SELENOMETHIONINE               D-peptide
 ORN-D    ORN      PEPT-D   D-ORNITHINE                      D-peptide
 PHE-D    PHE      PEPT-D   D-PHENYLALANINE                  D-peptide
 PRO-D    PRO      PEPT-D   D-PROLINE                        D-peptide
 PTR-D    PTR      PEPT-D   D-PHOSPHOTYROSINE                D-peptide
 SER-D    SER      PEPT-D   D-SERINE                         D-peptide
 THR-D    THR      PEPT-D   D-THREONINE                      D-peptide
 TRP-D    TRP      PEPT-D   D-TRYPTOPHAN                     D-peptide
 TYR-D    TYR      PEPT-D   D-TYROSINE                       D-peptide
 VAL-D    VAL      PEPT-D   D-VALINE                         D-peptide
 NLE-D    NLE      PEPT-D   D-NORLEUCINE                     D-peptide
 ILG-D    ILG      PEPT-D   D-GLUTAMYL_GROUP                 D-peptide
 OCS-D    OCS      PEPT-D   D-CYSTEINESULFONIC_ACID          D-peptide
 KCX-D    KCX      PEPT-D   D-LYSINE_NZ-CARBOXYLIC_ACID      D-peptide
 SAH-D    SAH      PEPT-D   S-ADENOSYL-D-HOMOCYSTEINE        D-peptide
 SAM-D    SAM      PEPT-D   S-ADENOSYLMETHIONINE             D-peptide
 SEP-D    SEP      PEPT-D   D-PHOSPHOSERINE                  D-peptide
 LLP-D    LLP      PEPT-D   D-LYSINE-PYRIDOXAL-5*-PHOSPHATE  D-peptide
 HYP-D    HYP      PEPT-D   4-D-Hydroxyproline               D-peptide
 5HP-D    5HP      PEPT-D   5-D-Hydroxyproline               D-peptide
 CSO-D    CSO      PEPT-D   S-D-HYDROXYCYSTINE               D-peptide
 BLE      LEU      B2C      LEUCINE_BORONIC_ACID             non-polymer
 BLY      LYS      B2C      LYSINE_BORONIC_ACID              non-polymer
 B1F      PHE      B2C      PHENYLALANINE_BORONIC_ACID       non-polymer
 B2F      PHE      B2C      PHENYLALANINE_BORONIC_ACID       non-polymer
 B2A      ALA      B2C      ALANINE_BORONIC_ACID             non-polymer
 B2I      ILE      B2C      ISOLEUCINE_BORONIC_ACID          non-polymer
 B2V      VAL      B2C      VALINE_BORONIC_ACID              non-polymer
 BLE-D    LEU      B2C_D    D-LEUCINE_BORONIC_ACID           non-polymer
 BLY-D    LYS      B2C_D    D-LYSINE_BORONIC_ACID            non-polymer
 B1F-D    PHE      B2C_D    D-PHENYLALANINE_BORONIC_ACID     non-polymer
 B2F-D    PHE      B2C_D    D-PHENYLALANINE_BORONIC_ACID     non-polymer
 B2A-D    ALA      B2C_D    DLALANINE_BORONIC_ACID           non-polymer
 B2I-D    ILE      B2C_D    D-ISOLEUCINE_BORONIC_ACID        non-polymer
 B2V-D    VAL      B2C_D    D-VALINE_BORONIC_ACID            non-polymer
 1MA      Ar       1MA      6-HYDRO-1-METHYLADENOSINE-5*-MON RNA
 2MG      Gr       2MG      2N-METHYLGUANOSINE-5*-MONOPHOSPH RNA
 M2G      Gr       M2G      2N-DIMETHYLGUANOSINE-5*-MONOPHOS RNA
 #OMC      Cr       O2*MET   O2*-METHYLCYTIDINE-5*-MONOPHOSPH RNA
 #OMG      Gr       O2*MET   O2*-METHYLGUANOSINE-5*-MONOPHOSP RNA
 #OMU      Ur       O2*MET   O2*-METHYLURIDINE-5*-MONOPHOSPHA RNA
 5MU      Ur       C5MET    5-METHYLURIDINE-5*-MONOPHOSPHATE RNA
 5MC      Cr       C5MET    5-METHYLCYTIDINE-5*-MONOPHOSPHAT RNA
 7MG      Gr       N7MET    7N-METHYL-8-HYDROGUANOSINE-5*-MO RNA
 H2U      Ur       .        5,6-DIHYDROURIDINE               RNA
 MAN-b-L  MAN-b-D  SUG-b-L  beta_L_mannose                   L-pyranose
 NAG-b-L  NAG-b-D  SUG-b-L  beta_L_N-acetyl-Glucose          L-pyranose
 GAL-b-L  GAL-b-D  SUG-b-L  beta_L_galactose                 L-pyranose
 GLC-b-L  GLC-b-D  SUG-b-L  beta_L_glucose                   L-pyranose
 MAN-a-D  MAN-b-D  SUG-a-D  alpha_D_mannose                  D-pyranose
 NAG-a-D  NAG-b-D  SUG-a-D  alpha_D_N-acetyl-Glucose         D-pyranose
 GAL-a-D  GAL-b-D  SUG-a-D  alpha_D_galactose                D-pyranose
 GLC-a-D  GLC-b-D  SUG-a-D  alpha_D_glucose                  D-pyranose
 MAN-a-L  MAN-b-D  SUG-a-L  alpha_L_mannose                  L-pyranose
 NAG-a-L  NAG-b-D  SUG-a-L  alpha_L_N-acetyl-Glucose         L-pyranose
 GAL-a-L  GAL-b-D  SUG-a-L  alpha_L_galactose                L-pyranose
 GLC-a-L  GLC-b-D  SUG-a-L  alpha_L_glucose                  L-pyranose
 FUC-a-D  FUC-a-L  SUG-a-D  alpha_D_fucose                   D-pyranose
 FUC-b-L  FUC-a-L  SUG-b-L  beta_L_fucose                    L-pyranose
 FUC-b-D  FUC-a-L  SUG-b-D  beta_D_fucose                    D-pyranose
 MAG      NAG-b-D  O1MET    metil_NAG                        D-pyranose
 MMA      MAN-b-D  O1MET    metil_MAN                        D-pyranose
 GSA      GAL-b-D  S2O4     O4-sulfonylgalactose             D-pyranose
 GCU-a-D  GCU-b-D  SUG-a-D  alpha_D_GLUCURONIC_ACID          D-pyranose
 CEG-a-D  CEG-b-D  SUG-a-D  alpha-D-CEG                      non-polymer
 GCU-a-L  GCU-b-D  SUG-a-L  alpha_L_GLUCURONIC_ACID          L-pyranose
 CEG-a-L  CEG-b-D  SUG-a-L  alpha-L-CEG                      non-polymer
 GCU-b-L  GCU-b-D  SUG-b-L  beta_L_GLUCURONIC_ACID           L-pyranose
 CEG-b-L  CEG-b-D  SUG-b-L  beta-L-CEG                       non-polymer
#
# ---   LIST OF SYNONYMS ---
#
data_comp_synonym_list
loop_
_chem_comp_synonym.comp_id
_chem_comp_synonym.comp_alternative_id
_chem_comp_synonym.mod_id
TRP         TRY      .
ALA-D       DAL      .
VAL-D       DVA      .
PHE-D       DPN      .
PRO         DPR      .
TRP-D       DTR      .
THR         DTH      .
LEU-D       DLE      .
DA          Ad       .
DC          Cd       .
DG          Gd       .
DY          Td       .
A           Ar       .
C           Cr       .
G           Gr       .
T           Tr       .
U           Ur       .
DA          +A       .
DC          +C       .
DG          +G       .
DT          +T       .
U           +U       .
XYL         XLS      .
SO4         SUL      .
SO4         SO1      .
SO4         SO2      .
PO4         PHO      .
P           SPS      .
P           IPS      .
ZN          ZN1      .
ZN          ZN2      .
3GP         GMP      .
HOH         WAT      .
HOH         H2O      .
HOH         OH2      .
HOH         DOD      .
BEZ         BOX      .
ATA         AMT      .
GTT         GSH      .
#PLM         PAM      .
NAG-b-D     NGA      .
NAG-b-D     NAG      .
MAN-b-D     MAN      .
GAL-b-D     GAL      .
GLC-b-D     GLC      .
FUC-a-L     FUC      .
FUC-a-D     FCA      .
FUC-b-D     FCB      .
GCU-b-D     GCU      .
CEG-b-D     CEG      .
#
data_comp_synonym_atom_list
loop_
_chem_comp_synonym_atom.comp_id
_chem_comp_synonym_atom.comp_alternative_id
_chem_comp_synonym_atom.atom_id
_chem_comp_synonym_atom.atom_alternative_id
NDG         .        O1     OL1
NDG         .        O1     O1L
KCX         .        OQ1    OX1
KCX         .        OQ2    OX2
SIA         .        O1A    O1
SIA         .        O1B    O3
#PCA         .        OE1    OE 
THR         .        OG1    OG
ILE         .        CD1    CD
5GP         .        P      PA
5GP         .        O1P    O1A
5GP         .        O2P    O2A
5GP         .        O3P    O3A
2AM         .        P      PA
2AM         .        O1P    O1A
2AM         .        O2P    O2A
2AM         .        O3P    O3A
3GP         .        P      PA
3GP         .        O1P    O1A
3GP         .        O2P    O2A
3GP         .        O3P    O3A
HOH         .        O      OW
HOH         .        O      OH2
HOH         .        H1     D1
HOH         .        H2     D2
HYP         .        CD     CD2
HYP         .        OD1    OD 
CH3         .        C      C1
CH3         .        C      C1A
CH3         .        H1     H11
CH3         .        H2     H12
CH3         .        H3     H13
CH3         .        H1     HC1
CH3         .        H2     HC2
CH3         .        H3     HC3
CH3         .        H1     H1A1
CH3         .        H2     H1A2
CH3         .        H3     H1A3
NCO         .        N1     NH1
NCO         .        N2     NH2
NCO         .        N3     NH3
NCO         .        N4     NH4
NCO         .        N5     NH5
NCO         .        N6     NH6
2GP         .        O2P    O4P
2GP         .        C5*    C5R
2GP         .        O5*    O5R
2GP         .        C4*    C4R
2GP         .        O4*    O4R
2GP         .        C1*    C1R
2GP         .        C2*    C2R
2GP         .        O2*    O2R
2GP         .        C3*    C3R
2GP         .        O3*    O3R
AMP         .        P      PA
AMP         .        O1P    O1A
AMP         .        O2P    O2A
AMP         .        O3P    O3A
MO5         .        O1     OA
MO5         .        O2     OB
MO5         .        O3     OC
MO5         .        O4     OD
MO5         .        O5     OE
MO4         .        O1     OB
MO4         .        O2     OC
MO4         .        O3     OD
MO4         .        O4     OF
MO6         .        O1     OA
MO6         .        O2     OB
MO6         .        O3     OC
MO6         .        O4     OD
MO6         .        O5     OE
MO6         .        O6     OF
FOL         .        O4     OH4
BEN         .        C      C7
BOC         .        O1     OT1
BOC         .        C      CT1
BOC         .        O2     OT2
BOC         .        CT     CT2
BOC         .        C1     CT3
BOC         .        C2     CT4
BOC         .        C3     CT5
#M2G         .        C2A    CM2
#M2G         .        C2B    CM1
#2MG         .        C2A    CM2
#OMC         .        C2A    CM2
#OMG         .        C2A    CM2
#OMU         .        C2A    CM2
#5MC         .        C5A    CM5
#5MU         .        C5A    CM5
#1MA         .        C1     CM1
#7MG         .        C7     CM7
OME         .        C1     CM
OME         .        O1     O
CB3         .        O4     OA4
MAE         .        O1     O1A
MAE         .        O2     O1B
MAE         .        O3     O4A
MAE         .        O4     O4B
MPD         .        CM     C6
MPD         .        O2     O7
MPD         .        O4     O8
PMP         .        N4A    N4
PMP         .        O4P    OP4
PMP         .        O1P    OP1
PMP         .        O2P    OP2
PMP         .        O3P    OP3
#BEZ         BOX      C      C1,
#BEZ         BOX      O1     O1,
#BEZ         BOX      O2     O2,
CBZ         .        O1     O
CBZ         .        O2     OA
CBZ         .        C1,    CB
CBZ         .        C1     CG
CBZ         .        C2     CD1
CBZ         .        C6     CD2
CBZ         .        C5     CE1
CBZ         .        C3     CE2
CBZ         .        C4     CZ
OAA         .        O4     O6
OAA         .        O3     O7
OAA         .        C4     C6
#PLM         .        C10    CA
#PLM         .        C11    CB
#PLM         .        C12    CC
##PLM         .        C13    CD
#PLM         .        C14    CE
#PLM         .        C15    CF
#PLM         .        C16    CG
SPH         .        N2     N
SPH         .        C2     CA
SPH         .        C1     C
SPH         .        O1     O
#TFA         .        C      C1
#TFA         .        CT     C2
TOS         .        O1S    O1
TOS         .        O2S    O2
MPR         .        C1     C  
MPR         .        C2     CA 
MPR         .        H21    HA1
MPR         .        H22    HA2
MPR         .        C3     CB 
MPR         .        H31    HB1
MPR         .        H32    HB2
MPR         .        S3     SG 
ADD         .        N      N3
ADD         .        C      C1
ACB         .        N      N2
ILG         .        H      HN1
ILG-D       .        H      HN1
ALA         .        H      HN1
HEM         .        NA     N_A
HEM         .        NB     N_B
HEM         .        NC     N_C
HEM         .        ND     N_D
HEC         .        NA     N_A
HEC         .        NB     N_B
HEC         .        NC     N_C
HEC         .        ND     N_D
HMD         .        NA     N_A
HMD         .        NB     N_B
HMD         .        NC     N_C
HMD         .        ND     N_D
MMA         .        CM     C7
MMA         .        HM1    H71
MMA         .        HM2    H72
MMA         .        HM3    H73
ILE         .        CD1    CD
THY         .        C7     C5A
THY         .        C7     CA5
THY         .        C7     CA5

DA          .        OP1    O1P
DA          .        OP2    O2P
DA          .        OP3    O3P
DA          .        'O5''  O5*
DA          .        'C5''  C5*
DA          .        'C4''  C4*
DA          .        'O4''  O4*
DA          .        'C3''  C3*
DA          .        'O3''  O3*
DA          .        'C1''  C1*
DA          .        'C2''  C2*

DG          .        OP1    O1P
DG          .        OP2    O2P
DG          .        OP3    O3P
DG          .        'O5''  O5*
DG          .        'C5''  C5*
DG          .        'C4''  C4*
DG          .        'O4''  O4*
DG          .        'C3''  C3*
DG          .        'O3''  O3*
DG          .        'C1''  C1*
DG          .        'C2''  C2*

DT          .        OP1    O1P    
DT          .        OP2    O2P
DT          .        OP3    O3P
DT          .        'O5''  O5*
DT          .        'C5''  C5*
DT          .        'C4''  C4*
DT          .        'O4''  O4*
DT          .        'C3''  C3*
DT          .        'O3''  O3*
DT          .        'C1''  C1*
DT          .        'C2''  C2*
DT          .        C7     C5M

A           .        OP1    O1P
A           .        OP2    O2P
A           .        OP3    O3P
A           .        'O5''  O5*
A           .        'C5''  C5*
A           .        'C4''  C4*
A           .        'O4''  O4*
A           .        'C3''  C3*
A           .        'O3''  O3*
A           .        'C1''  C1*
A           .        'C2''  C2*
A           .        'O2''  O2*

C           .        OP1    O1P
C           .        OP2    O2P
C           .        OP3    O3P
C           .        'O5''  O5*
C           .        'C5''  C5*
C           .        'C4''  C4*
C           .        'O4''  O4*
C           .        'C3''  C3*
C           .        'O3''  O3*
C           .        'C1''  C1*
C           .        'C2''  C2*
C           .        'O2''  O2*

DC          .        OP1    O1P
DC          .        OP2    O2P
DC          .        OP3    O3P
DC          .        'O5''  O5*
DC          .        'C5''  C5*
DC          .        'C4''  C4*
DC          .        'O4''  O4*
DC          .        'C3''  C3*
DC          .        'O3''  O3*
DC          .        'C1''  C1*
DC          .        'C2''  C2*

G           .        OP1    O1P
G           .        OP2    O2P
G           .        OP3    O3P
G           .        'O5''  O5*
G           .        'C5''  C5*
G           .        'C4''  C4*
G           .        'O4''  O4*
G           .        'C3''  C3*
G           .        'O3''  O3*
G           .        'C1''  C1*
G           .        'C2''  C2*
G           .        'O2''  O2*

T           .        OP1    O1P
T           .        OP2    O2P
T           .        OP3    O3P
T           .        'O5''  O5*
T           .        'C5''  C5*
T           .        'C4''  C4*
T           .        'O4''  O4*
T           .        'C3''  C3*
T           .        'O3''  O3*
T           .        'C1''  C1*
T           .        'C2''  C2*
T           .        C7     C5M
T           .        'O2''  O2*

U           .        OP1    O1P
U           .        OP2    O2P
U           .        OP3    O3P
U           .        'O5''  O5*
U           .        'C5''  C5*
U           .        'C4''  C4*
U           .        'O4''  O4*
U           .        'C3''  C3*
U           .        'O3''  O3*
U           .        'C1''  C1*
U           .        'C2''  C2*
U           .        'O2''  O2*

DU          .        OP1    O1P
DU          .        OP2    O2P
DU          .        OP3    O3P
DU          .        'O5''  O5*
DU          .        'C5''  C5*
DU          .        'C4''  C4*
DU          .        'O4''  O4*
DU          .        'C3''  C3*
DU          .        'O3''  O3*
DU          .        'C1''  C1*
DU          .        'C2''  C2*

ATP         .        'O5''  O5*
ATP         .        'C5''  C5*
ATP         .        'C4''  C4*
ATP         .        'O4''  O4*
ATP         .        'C3''  C3*
ATP         .        'O3''  O3*
ATP         .        'C2''  C2*
ATP         .        'C1''  C1*

ADP         .        'O5''  O5*
ADP         .        'C5''  C5*
ADP         .        'C4''  C4*
ADP         .        'O4''  O4*
ADP         .        'C3''  C3*
ADP         .        'O3''  O3*
ADP         .        'C2''  C2*
ADP         .        'C1''  C1*

AMP         .        'O5''  O5*
AMP         .        'C5''  C5*
AMP         .        'C4''  C4*
AMP         .        'O4''  O4*
AMP         .        'C3''  C3*
AMP         .        'O3''  O3*
AMP         .        'C2''  C2*
AMP         .        'C1''  C1*

UMP         .        'O5''  O5*
UMP         .        'C5''  C5*
UMP         .        'C4''  C4*
UMP         .        'O4''  O4*
UMP         .        'C3''  C3*
UMP         .        'O3''  O3*
UMP         .        'C2''  C2*
UMP         .        'C1''  C1*
UMP         .         OP1   O1P
UMP         .         OP2   O2P
UMP         .         OP3   O3P

NAD         .         PA    AP
NAD         .         O1A   AO1
NAD         .         O2A   AO2
NAD         .         O5B   AO5*
NAD         .         C5B   AC5*
NAD         .         C4B   AC4*
NAD         .         O4B   AO4*
NAD         .         C3B   AC3*
NAD         .         O3B   AO3*
NAD         .         C2B   AC2*
NAD         .         O2B   AO2*
NAD         .         C1B   AC1*
NAD         .         N9A   AN9
NAD         .         C8A   AC8
NAD         .         N7A   AN7
NAD         .         C5A   AC5
NAD         .         C6A   AC6
NAD         .         N6A   AN6
NAD         .         N1A   AN1
NAD         .         C2A   AC2
NAD         .         N3A   AN3
NAD         .         C4A   AC4
NAD         .         PN    NP

NAD         .         O1N   NO1
NAD         .         O2N   NO2
NAD         .         O5D   NO5*
NAD         .         C5D   NC5*
NAD         .         C4D   NC4*
NAD         .         O4D   NO4*
NAD         .         C3D   NC3*
NAD         .         O3D   NO3*

NAD         .         C2D   NC2*
NAD         .         O2D   NO2*
NAD         .         C1D   NC1*

NAD         .         N1N   NN1
NAD         .         C2N   NC2
NAD         .         C3N   NC3
NAD         .         C7N   NC7
NAD         .         O7N   NO7
NAD         .         N7N   NN7
NAD         .         C4N   NC4
NAD         .         C5N   NC5
NAD         .         C6N   NC6

NDP         .         PA    AP
NDP         .         O1A   AO1
NDP         .         O2A   AO2
NDP         .         O5B   AO5*
NDP         .         C5B   AC5*
NDP         .         C4B   AC4*
NDP         .         O4B   AO4*
NDP         .         C3B   AC3*
NDP         .         O3B   AO3*
NDP         .         C2B   AC2*
NDP         .         O2B   AO2*
NDP         .         C1B   AC1*
NDP         .         N9A   AN9
NDP         .         C8A   AC8
NDP         .         N7A   AN7
NDP         .         C5A   AC5
NDP         .         C6A   AC6
NDP         .         N6A   AN6
NDP         .         N1A   AN1
NDP         .         C2A   AC2
NDP         .         N3A   AN3
NDP         .         C4A   AC4
NDP         .         PN    NP

NDP         .         O1N   NO1
NDP         .         O2N   NO2
NDP         .         O5D   NO5*
NDP         .         C5D   NC5*
NDP         .         C4D   NC4*
NDP         .         O4D   NO4*
NDP         .         C3D   NC3*
NDP         .         O3D   NO3*

NDP         .         C2D   NC2*
NDP         .         O2D   NO2*
NDP         .         C1D   NC1*

NDP         .         N1N   NN1
NDP         .         C2N   NC2
NDP         .         C3N   NC3
NDP         .         C7N   NC7
NDP         .         O7N   NO7
NDP         .         N7N   NN7
NDP         .         C4N   NC4
NDP         .         C5N   NC5
NDP         .         C6N   NC6


NDP         .         PA    AP
NDP         .         O1A   AO1
NDP         .         O2A   AO2
NDP         .         O5B   AO5*
NDP         .         C5B   AC5*
NDP         .         C4B   AC4*
NDP         .         O4B   AO4*
NDP         .         C3B   AC3*
NDP         .         O3B   AO3*
NDP         .         C2B   AC2*
NDP         .         O2B   AO2*
NDP         .         C1B   AC1*
NDP         .         N9A   AN9
NDP         .         C8A   AC8
NDP         .         N7A   AN7
NDP         .         C5A   AC5
NDP         .         C6A   AC6
NDP         .         N6A   AN6
NDP         .         N1A   AN1
NDP         .         C2A   AC2
NDP         .         N3A   AN3
NDP         .         C4A   AC4
NDP         .         PN    NP

NDP         .         O1N   NO1
NDP         .         O2N   NO2
NDP         .         O5D   NO5*
NDP         .         C5D   NC5*
NDP         .         C4D   NC4*
NDP         .         O4D   NO4*
NDP         .         C3D   NC3*
NDP         .         O3D   NO3*

NDP         .         C2D   NC2*
NDP         .         O2D   NO2*
NDP         .         C1D   NC1*

NDP         .         N1N   NN1
NDP         .         C2N   NC2
NDP         .         C3N   NC3
NDP         .         C7N   NC7
NDP         .         O7N   NO7
NDP         .         N7N   NN7
NDP         .         C4N   NC4
NDP         .         C5N   NC5
NDP         .         C6N   NC6
NDP         .         P2B   AP2*
NDP         .         O1X   AOP1
NDP         .         O2X   AOP2
NDP         .         O3X   AOP3

NAP         .         PA    AP
NAP         .         O1A   AO1
NAP         .         O2A   AO2
NAP         .         O5B   AO5*
NAP         .         C5B   AC5*
NAP         .         C4B   AC4*
NAP         .         O4B   AO4*
NAP         .         C3B   AC3*
NAP         .         O3B   AO3*
NAP         .         C2B   AC2*
NAP         .         O2B   AO2*
NAP         .         C1B   AC1*
NAP         .         N9A   AN9
NAP         .         C8A   AC8
NAP         .         N7A   AN7
NAP         .         C5A   AC5
NAP         .         C6A   AC6
NAP         .         N6A   AN6
NAP         .         N1A   AN1
NAP         .         C2A   AC2
NAP         .         N3A   AN3
NAP         .         C4A   AC4
NAP         .         PN    NP

NAP         .         O1N   NO1
NAP         .         O2N   NO2
NAP         .         O5D   NO5*
NAP         .         C5D   NC5*
NAP         .         C4D   NC4*
NAP         .         O4D   NO4*
NAP         .         C3D   NC3*
NAP         .         O3D   NO3*

NAP         .         C2D   NC2*
NAP         .         O2D   NO2*
NAP         .         C1D   NC1*

NAP         .         N1N   NN1
NAP         .         C2N   NC2
NAP         .         C3N   NC3
NAP         .         C7N   NC7
NAP         .         O7N   NO7
NAP         .         N7N   NN7
NAP         .         C4N   NC4
NAP         .         C5N   NC5
NAP         .         C6N   NC6


NAP         .         PA    AP
NAP         .         O1A   AO1
NAP         .         O2A   AO2
NAP         .         O5B   AO5*
NAP         .         C5B   AC5*
NAP         .         C4B   AC4*
NAP         .         O4B   AO4*
NAP         .         C3B   AC3*
NAP         .         O3B   AO3*
NAP         .         C2B   AC2*
NAP         .         O2B   AO2*
NAP         .         C1B   AC1*
NAP         .         N9A   AN9
NAP         .         C8A   AC8
NAP         .         N7A   AN7
NAP         .         C5A   AC5
NAP         .         C6A   AC6
NAP         .         N6A   AN6
NAP         .         N1A   AN1
NAP         .         C2A   AC2
NAP         .         N3A   AN3
NAP         .         C4A   AC4
NAP         .         PN    NP

NAP         .         O1N   NO1
NAP         .         O2N   NO2
NAP         .         O5D   NO5*
NAP         .         C5D   NC5*
NAP         .         C4D   NC4*
NAP         .         O4D   NO4*
NAP         .         C3D   NC3*
NAP         .         O3D   NO3*

NAP         .         C2D   NC2*
NAP         .         O2D   NO2*
NAP         .         C1D   NC1*

NAP         .         N1N   NN1
NAP         .         C2N   NC2
NAP         .         C3N   NC3
NAP         .         C7N   NC7
NAP         .         O7N   NO7
NAP         .         N7N   NN7
NAP         .         C4N   NC4
NAP         .         C5N   NC5
NAP         .         C6N   NC6
NAP         .         P2B   AP2*
NAP         .         O1X   AOP1
NAP         .         O2X   AOP2
NAP         .         O3X   AOP3

#FAD         .         PA    AP
#FAD         .         O1A   AO1
#FAD         .         O2A   AO2
#FAD         .         O5B   AO5*
#FAD         .         C5B   AC5*
#FAD         .         C4B   AC4*
#FAD         .         O4B   AO4*
#FAD         .         C3B   AC3*
#FAD         .         O3B   AO3*
#FAD         .         C2B   AC2*
#FAD         .         O2B   AO2*
#FAD         .         C1B   AC1*
#FAD         .         N9A   AN9
#FAD         .         C8A   AC8
#FAD         .         N7A   AN7
#FAD         .         C6A   AC6
#FAD         .         N6A   AC6
#FAD         .         N1A   AN1
#FAD         .         C5A   AC5
#FAD         .         C6A   AC6
#FAD         .         N6A   AN6
#FAD         .         N1A   AN1
#FAD         .         C2A   AC2
#FAD         .         N3A   AN3
#FAD         .         'C1'' C1*
#FAD         .         'C2'' C2*
#FAD         .         'O2'' O2*
#FAD         .         'C3'' C*
#FAD         .         'O3'' O3*
#FAD         .         'C4'' C4*
#FAD         .         'O4'' O4*
#FAD         .         'C5'' C5*
#FAD         .         'O5'' O5*

#FDA         .         PA    AP
#FDA         .         O1A   AO1
#FDA         .         O2A   AO2
#FDA         .         O5B   AO5*
#FDA         .         C5B   AC5*
#FDA         .         C4B   AC4*
#FDA         .         O4B   AO4*
##FDA         .         C3B   AC3*
#FDA         .         O3B   AO3*
#FDA         .         C2B   AC2*
#FDA         .         O2B   AO2*
#FDA         .         C1B   AC1*
#FDA         .         N9A   AN9
#FDA         .         C8A   AC8
#FDA         .         N7A   AN7
#FDA         .         C5A   AC5
#FDA         .         C6A   AC6
#FDA         .         N6A   AC6
#FDA         .         N1A   AN1
#FDA         .         C6A   AC6
#FDA         .         N6A   AN6
#FDA         .         N1A   AN1
#FDA         .         C2A   AC2
#FDA         .         N3A   AN3
#FDA         .         'C1'' C1*
#FDA         .         'C2'' C2*
#FDA         .         'O2'' O2*
#FDA         .         'C3'' C*
#FDA         .         'O3'' O3*
#FDA         .         'C4'' C4*
#FDA         .         'O4'' O4*
#FDA         .         'C5'' C5*
#FDA         .         'O5'' O5*

SAH         .        'C5''  C5*
SAH         .        'C4''  C4*
SAH         .        'O4''  O4*
SAH         .        'C1''  C1*
SAH         .        'C2''  C2*
SAH         .        'O3''  O3*
SAH         .        'O2''  O2*
SAH         .        'C3''  C3*
CSX         .        OD      O1
CGU         .        OE1     OE11
CGU         .        OE2     OE12
CGU         .        OE3     OE21
CGU         .        OE4     OE22
#7HE         .        N_A    'N A'
#7HE         .        N_B    'N B'
#7HE         .        N_C    'N C'
#7HE         .        N_D    'N D'
HEM         .        NA    'N A'
HEM         .        NB    'N B'
HEM         .        NC    'N C'
HEM         .        ND    'N D'
#
# ---   LIST OF LINKS ---
#
data_link_list
loop_
_chem_link.id
_chem_link.comp_id_1
_chem_link.mod_id_1
_chem_link.group_comp_1
_chem_link.comp_id_2
_chem_link.mod_id_2
_chem_link.group_comp_2
_chem_link.name
SS       CYS      .        .        CYS      .        .
 SS-bridge
MPR-CYS  MPR      .        .        CYS      .        .
 SS-bridge
CYS-MPR  CYS      .        .        MPR      .        .
 SS-bridge
TRANS    .        .        peptide  .        .        peptide
 default-peptide-link
PTRANS   .        .        peptide  PRO      .        .
 default-peptide-link_pro
NMTRANS  .        .        peptide  PRO      .        .
 default-peptide-link_cn
CIS      .        .        peptide  .        .        peptide
 cis-peptide-link
PCIS     .        .        peptide  PRO      .        .
 cis-peptide-link_pro
NMCIS    .        .        peptide  PRO      .        .
 cis-peptide-link_cn
gap      .        .        .        .        .        .
 gap-link
p        .       DEL_HO3p        DNA/RNA  .      DEL_OP3        DNA/RNA
 default-DNA/RNA-link
FOR_C-N  FOR      .        .        .        .        pep
 bond_FOR-C_=_N-peptide
FOR_C-C  .        .        peptide  FOR      .        .
 bond_FOR-C_=_C-peptide
FOR-LYZ  LYZ      .        .        FOR      .        .
 bond_FOR-C_=_NZ-LYZ
ACE_C-N  ACE      .        .        .        .        peptide
 bond_ACE-C_=_N_peptide
AHT-ALA  AHT      .        .        ALA      .        .
 bond_AHT-N2_=_CB-ALA
DFO-NME  DFO      .        .        NME      .        .
 bond_DFO-C_=_N-NME
DFO_C-N  DFO      .        .        .        .        peptide
 bond_DFO-C_=_N-peptide
DFO_N-C  .        .        peptide  DFO      .        .
 bond_DFO-N_=_C-peptide
STA-NME  DFO      .        .        NME      .        .
 bond_DFO-C_=_N-NME
STA_C-N  DFO      .        .        .        .        peptide
 bond_DFO-C_=_N-peptide
STA_N-C  .        .        peptide  DFO      .        .
 bond_DFO-N_=_C-peptide
STA_DFO  STA      .        .        DFO      .        .
 bond_STA-C_=_N-DFO
DFO_STA  DFO      .        .        STA      .        .
 bond_DFO-C_=_N-STA
STA_STA  STA      .        .        STA      .        .
 bond_STA-C_=_N-STA
DFO_DFO  DFO      .        .        DFO      .        .
 bond_DFO-C_=_N-DFO
IVA_C-N  IVA      .        .        .        .        peptide
 bond_IVA-C_=_N-peptide
BOC_C-N  BOC      .        .        .        .        peptide
 bond_BOC-C_=_N-peptide
NME_N-C  .        .        peptide  NME      .        .
 bond_NME-N_=_C-peptide
LINK_C-N .        .        polymer  .        .        polymer
 bond_C_=_N
LINK_CNp .        .        polymer  .        .        peptide
 bond_C_=_N-peptide
LINK_CpN .        .        peptide  .        .        polymer
 bond_C-peptide_=_N
BETA1-2  .        DEL-HO2  pyranose .        DEL-O1   pyranose
 glycosidic_bond_beta1-2
BETA1-3  .        DEL-HO3  pyranose .        DEL-O1   pyranose
 glycosidic_bond_beta1-3
BETA2-3  SIA      DEL-O2   .        .        DEL-HO3  pyranose
 glycosidic_bond_beta1-3
BETA1-4  .        DEL-HO4  pyranose .        DEL-O1   pyranose
 glycosidic_bond_beta1-4
BETA1-6  .        DEL-HO6  pyranose .        DEL-O1   pyranose
 glycosidic_bond_beta1-6
ALPHA1-2 .        DEL-HO2  pyranose .        DEL-O1   pyranose
 glycosidic_bond_alpha1-2
ALPHA1-3 .        DEL-HO3  pyranose .        DEL-O1   pyranose
 glycosidic_bond_alpha1-3
ALPHA2-3 SIA      DEL-O2   .        .        DEL-HO3  pyranose
 glycosidic_bond_alpha2-3
ALPHA1-4 .        DEL-HO4  pyranose .        DEL-O1   pyranose
 glycosidic_bond_alpha1-4
ALPHA1-6 .        DEL-HO6  pyranose .        DEL-O1   pyranose
 glycosidic_bond_alpha1-6
MAN-SER  MAN      DEL-O1   .        SER      DEL-HG   .
 bond_MAN-C1_=_SER-OG
NAG-SER  .        DEL-O1   pyranose SER      DEL-HG   .
 bond_NAG-C1_=_SER-OG
NAG-THR  .        DEL-O1   pyranose THR      DEL-HG1  .
 bond_NAG-C1_=_THR-OG1
MAN-THR  MAN      DEL-O1   .        THR      DEL-HG1  .
 bond_MAN-C1_=_THR-OG1
NAG-ASN  .        DEL-O1   pyranose ASN      DEL-HD22 .
 bond_NAG-C1_=_ASN-ND2
MAN-ASN  MAN      DEL-O1   .        ASN      DEL-HD22 .
 bond_MAN-C1_=_ASN-ND2
XYS-THR  XYS      XYS-O1   .        THR      DEL-HG1  .
 bond_XYS-C1_=_THR-OG1
XYS-SER  XYS      XYS-O1   .        SER      DEL-HG   .
 bond_XYS-C1_=_SER-OG
XYS-ASN  XYS      XYS-O1   .        ASN      DEL-HD22 .
 bond_XYS-C1_=_ASN-ND2
ZN-CYS   ZN       .        .        CYS      .        .
 bond_ZN_=_CYS-SG
FE-CYS   FE       .        .        CYS      .        .
 bond_FE_=_CYS-SG
SFN-TYR  SFN      .        .        TYR      .        .
 bond_SFN-S_=_TYR-OH
CH2-N2   CH2      .        .        .        .        DNA/RNA
 bond_CH2-CH2_=_Ar-N2
DM1-CH2  DM1      .        .        CH2      .        .
 bond_DM1-N3*_=_CH2-CH2
CH3-N1   CH3      .        .        .        .        DNA/RNA
 bond_CH3-C_=_Ar-N1
CH3-O2*  CH3      .        .        .        .        DNA/RNA
 bond_CH3-C_=-O2*
MG-O1P   MG       .        .        .        .        DNA/RNA
 bond_MG_=-O1P
MG-O2P   MG       .        .        .        .        DNA/RNA
 bond_MG_=-O2P
BR-C5    BR       .        .        .        .        DNA/RNA
 bond_BR_=-C5
ILG_CD-N ILG      .        .        .        .        polymer
 bond_ILG-CD_=N-polymer
ILG_CD-p ILG      .        .        .        .        peptide
 bond_ILG-CD_=N-peptide
ACYSNN      ACY      ACYmod      .      SNN      SNNmod      .      'ACYSNN'
ALASNN      .        ALAmod    peptide  SNN      SNNmod      .      'ALASNN'
symmetry .        .        .        .        .        .
 dummy_link
#
# ---   LIST OF MODIFICATIONS ---
#
data_mod_list
loop_
_chem_mod.id
_chem_mod.name
_chem_mod.comp_id
_chem_mod.group_id
NH3      NH3-terminus                                     .        peptide
NH1      NH1-terminus                                     .        peptide
NH2      NH2-terminus_for_proline                         .        peptide
NH2N     NH2-terminus_proline_type_with_CN                .        peptide
COO      COO-terminus                                     .        peptide
AA-STAND AA_to_residue_modification                       .        peptide
AA-STPRO AA_to_residue_modification_for_proline           .        peptide
NA-STAND DNA/RNA_to_residue_modification                  .        DNA/RNA
CM-COO   CM-COO-terminus                                  .        polymer
5*END    DNA/RNA-5*-terminus                              .        DNA/RNA
3*END    DNA/RNA-3*-terminus                              .        DNA/RNA
p5*END   DNA/RNA-p5*-terminus                             .        DNA/RNA
p3*END   DNA/RNA-p3*-terminus                             .        DNA/RNA
DEL_OP3  DN/RNA-OP3-delete                                .        DNA/RNA
DEL_HO3p DNA/RNA-OP3-delete                                .        DNA/RNA
FOR-N    N-terminus_of_formyl                             .        .
FOR-C    C-terminus_of_formyl                             .        .
G-N2     delete_N2_from_guanosine                         .        DNA/RNA
DEL-O1   delete_O1_from_saccharide                        .        pyranose
DEL-O2   delete_O2_from_saccharide                        .        sacharid
DEL-HO2  delete_HO2_from_saccharide                       .        pyranose
DEL-HO3  delete_HO3_from_saccharide                       .        pyranose
DEL-HO4  delete_HO4_from_saccharide                       .        pyranose
DEL-HO6  delete_HO6_from_saccharide                       .        pyranose
DEL-OXT  delete_OXT_from_peptide                          .        peptide
DEL-HN1  delete_Hs_from_peptide                           .        peptide
SUG-b-L  change_sugar_to_beta_L                           .        pyranose
SUG-a-D  change_sugar_to_alpha_D                          .        pyranose
SUG-b-D  change_sugar_to_beta_D                           .        pyranose
SUG-a-L  change_sugar_to_alpha_L                          .        pyranose
O1MET    O1_metyl_of_sugar                                .        pyranose
S2O4     O4_sulfonyl_of_GAL                               GAL-b-D  .
PEPT-D   change_peptide_to_D                              .        peptide
1MA      N1-metyl_of_adenosine                            .        DNA/RNA
1MG      N1-metyl_of_guanosine                            .        DNA/RNA
2MG      N2-metyl_of_guanosine                            .        DNA/RNA
M2G      N2-dimetyl_of_guanosine                          .        DNA/RNA
O2*MET   O2*_metyl                                        .        DNA/RNA
C5MET    C5_metyl                                         .        DNA/RNA
N7MET    N7_metyl                                         .        DNA/RNA
RNA-O2*  delete_O2*_from_RNA                              .        DNA/RNA
XYS-O1   delete_O1_from_XYS                               .        .
B2C      replace_B_to_C                                   .        peptide
B2C_D    replace_B_to_C_for_D-peptide                     .        peptide
RENAME   change_monomer"s_name                            .        .
TERMINUS chain_terminus_without_modification              .        .
DEL-HD22 delete_HD22_from_ASN                             ASN      .
DEL-HG   delete_HG_from_SER                               SER      .
DEL-HG1  delete_HG1_from_THR                              THR      .
ACYmod      'ACYmod'      ACY      .
SNNmod      'SNNmod'      SNN      .
ALAmod      'ALAmod'      .      peptide
SNNmd1      'SNNmod'      SNN      .

#
data_link_SS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 SS       1 SG      2 SG        single      2.031     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 SS       1 CB      1 SG      2 SG      103.800    1.800
 SS       1 SG      2 SG      2 CB      103.800    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 SS       ss       1 CB     1 SG     2 SG     2 CB       90.00  10.0 2
#
data_link_MPR-CYS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MPR-CYS  1 SG      2 SG        single      2.031     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 MPR-CYS  1 CB      1 SG      2 SG      110.000    3.000
 MPR-CYS  1 SG      2 SG      2 CB      110.000    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 MPR-CYS  ss       1 CB     1 SG     2 SG     2 CB       90.00  10.0 2
#
data_link_CYS-MPR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 CYS-MPR  1 SG      2 SG        single      2.031     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 CYS-MPR  1 CB      1 SG      2 SG      110.000    3.000
 CYS-MPR  1 SG      2 SG      2 CB      110.000    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 CYS-MPR  ss       1 CB     1 SG     2 SG     2 CB       90.00  10.0 2
#
data_link_TRANS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 TRANS    1 C       2 N         single      1.329     .014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 TRANS    1 O       1 C       2 N       123.000    1.600
 TRANS    1 CA      1 C       2 N       116.200    2.000
 TRANS    1 C       2 N       2 H       124.300    3.000
 TRANS    1 C       2 N       2 CA      121.700    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 TRANS    psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 TRANS    omega    1 CA     1 C      2 N      2 CA      180.00   5.0 0
 TRANS    phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 TRANS      plane1    1 CA         .020
 TRANS      plane1    1 C          .020
 TRANS      plane1    1 O          .020
 TRANS      plane1    2 N          .020
 TRANS      plane2    1 C          .020
 TRANS      plane2    2 N          .020
 TRANS      plane2    2 CA         .020
 TRANS      plane2    2 H          .020
#
data_link_PTRANS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 PTRANS   1 C       2 N         single      1.341     .016
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 PTRANS   1 O       1 C       2 N       123.000    1.600
 PTRANS   1 CA      1 C       2 N       116.900    1.500
 PTRANS   1 C       2 N       2 CD      125.000    4.100
 PTRANS   1 C       2 N       2 CA      122.600    5.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 PTRANS   psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 PTRANS   omega    1 CA     1 C      2 N      2 CA      180.00   5.0 0
 PTRANS   phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 PTRANS     plane1    1 CA         .020
 PTRANS     plane1    1 C          .020
 PTRANS     plane1    1 O          .020
 PTRANS     plane1    2 N          .020
 PTRANS     plane2    1 C          .050
 PTRANS     plane2    2 N          .050
 PTRANS     plane2    2 CA         .050
 PTRANS     plane2    2 CD         .050
#
data_link_NMTRANS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NMTRANS  1 C       2 N         single      1.329     .014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NMTRANS  1 O       1 C       2 N       123.000    1.600
 NMTRANS  1 CA      1 C       2 N       116.200    2.000
 NMTRANS  1 C       2 N       2 CN      124.300    3.000
 NMTRANS  1 C       2 N       2 CA      121.700    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 NMTRANS  psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 NMTRANS  omega    1 CA     1 C      2 N      2 CA      180.00   5.0 0
 NMTRANS  phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 NMTRANS    plane1    1 CA         .020
 NMTRANS    plane1    1 C          .020
 NMTRANS    plane1    1 O          .020
 NMTRANS    plane1    2 N          .020
 NMTRANS    plane2    1 C          .050
 NMTRANS    plane2    2 N          .050
 NMTRANS    plane2    2 CA         .050
 NMTRANS    plane2    2 CN         .050
#
data_link_CIS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 CIS      1 C       2 N         single      1.329     .014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 CIS      1 O       1 C       2 N       123.000    1.600
 CIS      1 CA      1 C       2 N       116.200    2.000
 CIS      1 C       2 N       2 H       124.300    3.000
 CIS      1 C       2 N       2 CA      121.700    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 CIS      psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 CIS      omega    1 CA     1 C      2 N      2 CA         .00   5.0 0
 CIS      phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 CIS        plane1    1 CA         .020
 CIS        plane1    1 C          .020
 CIS        plane1    1 O          .020
 CIS        plane1    2 N          .020
 CIS        plane2    1 C          .020
 CIS        plane2    2 N          .020
 CIS        plane2    2 CA         .020
 CIS        plane2    2 H          .020
#
data_link_PCIS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 PCIS     1 C       2 N         single      1.341     .016
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 PCIS     1 O       1 C       2 N       123.000    1.600
 PCIS     1 CA      1 C       2 N       116.900    1.500
 PCIS     1 C       2 N       2 CD      125.000    4.100
 PCIS     1 C       2 N       2 CA      122.600    5.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 PCIS     psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 PCIS     omega    1 CA     1 C      2 N      2 CA         .00   5.0 0
 PCIS     phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 PCIS       plane1    1 CA         .020
 PCIS       plane1    1 C          .020
 PCIS       plane1    1 O          .020
 PCIS       plane1    2 N          .020
 PCIS       plane2    1 C          .050
 PCIS       plane2    2 N          .050
 PCIS       plane2    2 CA         .050
 PCIS       plane2    2 CD         .050
#
data_link_NMCIS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NMCIS    1 C       2 N         single      1.329     .014
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NMCIS    1 O       1 C       2 N       123.000    1.600
 NMCIS    1 CA      1 C       2 N       116.200    2.000
 NMCIS    1 C       2 N       2 CN      124.300    3.000
 NMCIS    1 C       2 N       2 CA      121.700    1.800
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 NMCIS    psi      1 N      1 CA     1 C      2 N       160.00  30.0 2
 NMCIS    omega    1 CA     1 C      2 N      2 CA         .00   5.0 0
 NMCIS    phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 NMCIS      plane1    1 CA         .020
 NMCIS      plane1    1 C          .020
 NMCIS      plane1    1 O          .020
 NMCIS      plane1    2 N          .020
 NMCIS      plane2    1 C          .050
 NMCIS      plane2    2 N          .050
 NMCIS      plane2    2 CA         .050
 NMCIS      plane2    2 CN         .050
#
data_link_gap
#
#
data_link_p
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 p        1 'O3''     2 P         single      1.600     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 p        1 'O3''     2 P       2 'O5''     103.000    3.000
 p        1 'O3''     2 P       2 OP1     108.000    3.000
 p        1 'O3''     2 P       2 OP2     108.000    3.000
 p        1 'C3''     1 'O3''     2 P       120.000    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 p        epsil    1 'C4''    1 'C3''    1 'O3''    2 P       190.00  30.0 3
 p        zeta     1 'C3''    1 'O3''    2 P      2 'O5''     260.00  30.0 3
 p        alpha    1 'O3''    2 P      2 'O5''    2 'C5''     300.00  20.0 3
#
data_link_FOR_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 FOR_C-N  1 C       2 N         single      1.329     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 FOR_C-N  1 C       2 N       2 CA      121.700    3.000
 FOR_C-N  1 O       1 C       2 N       123.000    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 FOR_C-N  var1     1 O      1 C      2 N      2 CA         .00  30.0 2
#
data_link_FOR_C-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 FOR_C-C  1 C       2 C         single      1.521     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 FOR_C-C  1 C       2 C       2 O       124.100    3.000
 FOR_C-C  1 O       1 C       2 C       129.100    3.000
#
data_link_FOR-LYZ
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 FOR-LYZ  1 NZ      2 C         single      1.329     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 FOR-LYZ  2 C       1 NE      1 CE      111.000    3.000
 FOR-LYZ  2 O       2 C       1 NZ      120.000    3.000
 FOR-LYZ  2 OXT     2 C       1 NZ      120.000    3.000
 FOR-LYZ  2 O       2 C       2 OXT     120.000    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 FOR-LYZ  var1     1 CD     1 CE     1 NZ     2 C       180.00  30.0 2
 FOR-LYZ  var2     1 CE     1 NZ     2 C      2 OXT     180.00  30.0 2
#
data_link_ACE_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ACE_C-N  1 C       2 N         single      1.329     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ACE_C-N  1 C       2 N       2 CA      121.700    3.000
 ACE_C-N  1 O       1 C       2 N       123.000    3.000
 ACE_C-N  1 CH3     1 C       2 N       116.200    3.000
 ACE_C-N  1 C       2 N       2 H       124.300    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 ACE_C-N  omega    1 CH3    1 C      2 N      2 CA      180.00   5.0 2
 ACE_C-N  phi      1 C      2 N      2 CA     2 C        60.00  20.0 3
#
data_link_AHT-ALA
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 AHT-ALA  1 N2      2 CB        single      1.521     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 AHT-ALA  1 N2      2 CB      2 CA      109.900    3.000
 AHT-ALA  1 C2      1 N2      2 CB      119.300    3.000
#
data_link_DFO-NME
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DFO-NME  1 C       2 N         single      1.308     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DFO-NME  1 C       2 N       2 CH3     123.400    3.000
 DFO-NME  1 O       1 C       2 N       126.200    3.000
#
data_link_DFO_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DFO_C-N  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DFO_C-N  1 O       1 C       2 N       129.100    3.000
 DFO_C-N  1 C       2 N       2 CA      119.300    3.000
#
data_link_DFO_N-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DFO_N-C  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DFO_N-C  1 O       1 C       2 N       129.100    3.000
 DFO_N-C  1 C       2 N       2 CA      119.300    3.000
#
data_link_STA-NME
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 STA-NME  1 C       2 N         single      1.308     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 STA-NME  1 C       2 N       2 CH3     123.400    3.000
 STA-NME  1 O       1 C       2 N       126.200    3.000
#
data_link_STA_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 STA_C-N  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 STA_C-N  1 O       1 C       2 N       129.100    3.000
 STA_C-N  1 C       2 N       2 CA      119.300    3.000
#
data_link_STA_N-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 STA_N-C  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 STA_N-C  1 O       1 C       2 N       129.100    3.000
 STA_N-C  1 C       2 N       2 CA      119.300    3.000
#
data_link_STA_DFO
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 STA_DFO  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 STA_DFO  1 O       1 C       2 N       129.100    3.000
 STA_DFO  1 C       2 N       2 CA      119.300    3.000
#
data_link_DFO_STA
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DFO_STA  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DFO_STA  1 O       1 C       2 N       129.100    3.000
 DFO_STA  1 C       2 N       2 CA      119.300    3.000
#
data_link_STA_STA
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 STA_STA  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 STA_STA  1 O       1 C       2 N       129.100    3.000
 STA_STA  1 C       2 N       2 CA      119.300    3.000
#
data_link_DFO_DFO
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DFO_DFO  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DFO_DFO  1 O       1 C       2 N       129.100    3.000
 DFO_DFO  1 C       2 N       2 CA      119.300    3.000
#
data_link_IVA_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 IVA_C-N  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 IVA_C-N  1 O       1 C       2 N       129.100    3.000
 IVA_C-N  1 C       2 N       2 CA      119.300    3.000
#
data_link_BOC_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BOC_C-N  1 C       2 N         single      1.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BOC_C-N  1 O1      1 C       2 N       129.100    3.000
 BOC_C-N  1 C       2 N       2 CA      119.300    3.000
#
data_link_NME_N-C
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NME_N-C  1 C       2 N         single      1.308     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NME_N-C  1 O       1 C       2 N       126.200    3.000
 NME_N-C  1 C       2 N       2 CH3     123.400    3.000
#
data_link_LINK_C-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 LINK_C-N 1 C       2 N         single      1.329     .020
#
data_link_LINK_CNp
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 LINK_CNp 1 C       2 N         single      1.329     .020
#
data_link_LINK_CpN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 LINK_CpN 1 C       2 N         single      1.329     .020
#
data_link_BETA1-2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BETA1-2  1 O2      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BETA1-2  1 C2      1 O2      2 C1      108.700    3.000
 BETA1-2  1 O2      2 C1      2 O5      112.300    3.000
 BETA1-2  1 O2      2 C1      2 C2      109.470    3.000
 BETA1-2  1 O2      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 BETA1-2  BETA_1   1 O2     2 C1     2 C2     2 C3         .00  20.0 1
 BETA1-2  BETA_2   1 C2     1 O2     2 C1     2 C2         .00  20.0 1
 BETA1-2  BETA_3   1 C1     1 C2     1 O2     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 BETA1-2    2 C1      1 O2      2 O5      2 C2      positiv
#
data_link_BETA1-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BETA1-3  1 O3      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BETA1-3  1 C3      1 O3      2 C1      108.700    3.000
 BETA1-3  1 O3      2 C1      2 O5      112.300    3.000
 BETA1-3  1 O3      2 C1      2 C2      109.470    3.000
 BETA1-3  1 O3      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 BETA1-3  BETA_1   1 O3     2 C1     2 C2     2 C3         .00  20.0 1
 BETA1-3  BETA_2   1 C3     1 O3     2 C1     2 C2         .00  20.0 1
 BETA1-3  BETA_3   1 C2     1 C3     1 O3     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 BETA1-3    2 C1      1 O3      2 O5      2 C2      positiv
#
data_link_BETA2-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BETA2-3  1 C2      2 O3        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BETA2-3  1 C2      2 O3      2 C1      108.700    3.000
 BETA2-3  1 C1      1 C2      2 O3      112.300    3.000
#
data_link_BETA1-4
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BETA1-4  1 O4      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BETA1-4  1 C4      1 O4      2 C1      108.700    3.000
 BETA1-4  1 O4      2 C1      2 O5      112.300    3.000
 BETA1-4  1 O4      2 C1      2 C2      109.470    3.000
 BETA1-4  1 O4      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 BETA1-4  BETA_1   1 O4     2 C1     2 C2     2 C3         .00  20.0 1
 BETA1-4  BETA_2   1 C4     1 O4     2 C1     2 C2         .00  20.0 1
 BETA1-4  BETA_3   1 C3     1 C4     1 O4     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 BETA1-4    2 C1      1 O4      2 O5      2 C2      positiv
#
data_link_BETA1-6
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BETA1-6  1 O6      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 BETA1-6  1 C6      1 O6      2 C1      108.700    3.000
 BETA1-6  1 O6      2 C1      2 O5      112.300    3.000
 BETA1-6  1 O6      2 C1      2 C2      109.470    3.000
 BETA1-6  1 O6      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 BETA1-6  BETA_1   1 O6     2 C1     2 C2     2 C3         .00  20.0 1
 BETA1-6  BETA_2   1 C6     1 O6     2 C1     2 C2         .00  20.0 1
 BETA1-6  BETA_3   1 C5     1 C6     1 O6     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 BETA1-6    2 C1      1 O6      2 O5      2 C2      positiv
#
data_link_ALPHA1-2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ALPHA1-2 1 O2      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ALPHA1-2 1 C2      1 O2      2 C1      108.700    3.000
 ALPHA1-2 1 O2      2 C1      2 O5      112.300    3.000
 ALPHA1-2 1 O2      2 C1      2 C2      109.470    3.000
 ALPHA1-2 1 O2      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 ALPHA1-2 ALPHA_1  1 O2     2 C1     2 C2     2 C3         .00  20.0 1
 ALPHA1-2 ALPHA_2  1 C2     1 O2     2 C1     2 C2         .00  20.0 1
 ALPHA1-2 ALPHA_3  1 C1     1 C2     1 O2     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 ALPHA1-2   2 C1      1 O2      2 O5      2 C2      negativ
#
data_link_ALPHA1-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ALPHA1-3 1 O3      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ALPHA1-3 1 C3      1 O3      2 C1      108.700    3.000
 ALPHA1-3 1 O3      2 C1      2 O5      112.300    3.000
 ALPHA1-3 1 O3      2 C1      2 C2      109.470    3.000
 ALPHA1-3 1 O3      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 ALPHA1-3 ALPHA_1  1 O3     2 C1     2 C2     2 C3         .00  20.0 1
 ALPHA1-3 ALPHA_2  1 C3     1 O3     2 C1     2 C2         .00  20.0 1
 ALPHA1-3 ALPHA_3  1 C2     1 C3     1 O3     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 ALPHA1-3   2 C1      1 O3      2 O5      2 C2      negativ
#
data_link_ALPHA2-3
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ALPHA2-3 1 C2      2 O3        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ALPHA2-3 1 C2      2 O3      2 C3      108.700    3.000
 ALPHA2-3 1 C1      1 C2      2 O3      112.300    3.000
#
data_link_ALPHA1-4
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ALPHA1-4 1 O4      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ALPHA1-4 1 C4      1 O4      2 C1      108.700    3.000
 ALPHA1-4 1 O4      2 C1      2 O5      112.300    3.000
 ALPHA1-4 1 O4      2 C1      2 C2      109.470    3.000
 ALPHA1-4 1 O4      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 ALPHA1-4 ALPHA_1  1 O4     2 C1     2 C2     2 C3         .00  20.0 1
 ALPHA1-4 ALPHA_2  1 C4     1 O4     2 C1     2 C2         .00  20.0 1
 ALPHA1-4 ALPHA_3  1 C3     1 C4     1 O4     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 ALPHA1-4   2 C1      1 O4      2 O5      2 C2      negativ
#
data_link_ALPHA1-6
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ALPHA1-6 1 O6      2 C1        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ALPHA1-6 1 C6      1 O6      2 C1      108.700    3.000
 ALPHA1-6 1 O6      2 C1      2 O5      112.300    3.000
 ALPHA1-6 1 O6      2 C1      2 C2      109.470    3.000
 ALPHA1-6 1 O6      2 C1      2 H1      109.470    3.000
loop_
_chem_link_tor.link_id
_chem_link_tor.id
_chem_link_tor.atom_1_comp_id
_chem_link_tor.atom_id_1
_chem_link_tor.atom_2_comp_id
_chem_link_tor.atom_id_2
_chem_link_tor.atom_3_comp_id
_chem_link_tor.atom_id_3
_chem_link_tor.atom_4_comp_id
_chem_link_tor.atom_id_4
_chem_link_tor.value_angle
_chem_link_tor.value_angle_esd
_chem_link_tor.period
 ALPHA1-6 ALPHA_1  1 O6     2 C1     2 C2     2 C3         .00  20.0 1
 ALPHA1-6 ALPHA_2  1 C6     1 O6     2 C1     2 C2         .00  20.0 1
 ALPHA1-6 ALPHA_3  1 C5     1 C6     1 O6     2 C1         .00  20.0 1
loop_
_chem_link_chir.link_id
_chem_link_chir.atom_centre_comp_id
_chem_link_chir.atom_id_centre
_chem_link_chir.atom_1_comp_id
_chem_link_chir.atom_id_1
_chem_link_chir.atom_2_comp_id
_chem_link_chir.atom_id_2
_chem_link_chir.atom_3_comp_id
_chem_link_chir.atom_id_3
_chem_link_chir.volume_sign
 ALPHA1-6   2 C1      1 O6      2 O5      2 C2      negativ
#
data_link_MAN-SER
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MAN-SER  1 C1      2 OG        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 MAN-SER  1 C1      2 OG      2 CB      108.700    3.000
 MAN-SER  1 O5      1 C1      2 OG      112.300    3.000
#
data_link_NAG-SER
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NAG-SER  1 C1      2 OG        single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NAG-SER  1 C1      2 OG      2 CB      108.700    3.000
 NAG-SER  1 O5      1 C1      2 OG      112.300    3.000
#
data_link_NAG-THR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NAG-THR  1 C1      2 OG1       single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NAG-THR  1 C1      2 OG1     2 CB      108.700    3.000
 NAG-THR  1 O5      1 C1      2 OG1     112.300    3.000
#
data_link_MAN-THR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MAN-THR  1 C1      2 OG1       single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 MAN-THR  1 C1      2 OG1     2 CB      108.700    3.000
 MAN-THR  1 O5      1 C1      2 OG1     112.300    3.000
#
data_link_NAG-ASN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 NAG-ASN  1 C1      2 ND2       single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 NAG-ASN  1 C1      2 ND2     2 CG      121.000    3.000
 NAG-ASN  1 C1      2 ND2     2 HD2     119.000    3.000
 NAG-ASN  1 O5      1 C1      2 ND2     112.300    3.000
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 NAG-ASN    plane1    1 C1         .020
 NAG-ASN    plane1    2 ND2        .020
 NAG-ASN    plane1    2 CG         .020
 NAG-ASN    plane1    2 OD1        .020
 NAG-ASN    plane1    2 CB         .020
 NAG-ASN    plane1    2 HD21       .020
#
data_link_MAN-ASN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MAN-ASN  1 C1      2 ND2       single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 MAN-ASN  1 C1      2 ND2     2 CG      108.700    3.000
 MAN-ASN  1 O5      1 C1      2 ND2     112.300    3.000
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 MAN-ASN    plane1    1 C1         .020
 MAN-ASN    plane1    2 ND2        .020
 MAN-ASN    plane1    2 CG         .020
 MAN-ASN    plane1    2 OD1        .020
 MAN-ASN    plane1    2 CB         .020
 MAN-ASN    plane1    2 HD21       .020
#
data_link_XYS-THR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 XYS-THR  1 C1      2 OG1       single      1.413     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 XYS-THR  1 C1      2 OG1     2 CB      118.700    3.000
 XYS-THR  1 O5      1 C1      2 OG1     116.100    3.000
#
data_link_XYS-SER
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 XYS-SER  1 C1      2 OG        single      1.413     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 XYS-SER  1 C1      2 OG      2 CB      118.700    3.000
 XYS-SER  1 O5      1 C1      2 OG      116.100    3.000
#
data_link_XYS-ASN
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 XYS-ASN  1 C1      2 ND2       single      1.439     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 XYS-ASN  1 C1      2 ND2     2 CG      118.700    3.000
 XYS-ASN  1 O5      1 C1      2 ND2     116.100    3.000
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
 XYS-ASN    plane1    1 C1         .020
 XYS-ASN    plane1    2 ND2        .020
 XYS-ASN    plane1    2 CG         .020
 XYS-ASN    plane1    2 OD1        .020
 XYS-ASN    plane1    2 CB         .020
 XYS-ASN    plane1    2 HD21       .020
#
data_link_ZN-CYS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ZN-CYS   1 ZN      2 SG        single      2.340     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 ZN-CYS   1 ZN      2 SG      2 CB      109.000    3.000
#
data_link_FE-CYS
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 FE-CYS   1 FE      2 SG        single      2.260     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 FE-CYS   1 FE      2 SG      2 CB      109.470    3.000
#
data_link_SFN-TYR
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 SFN-TYR  1 S       2 OH        single      1.669     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 SFN-TYR  1 S       2 OH      2 CZ      120.000    3.000
 SFN-TYR  1 O3      1 S       2 OH       98.000    3.000
#
data_link_CH2-N2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 CH2-N2   1 CH2     2 N2        single      1.465     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 CH2-N2   1 CH2     2 N2      2 C2      111.100    3.000
#
data_link_DM1-CH2
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 DM1-CH2  1 N3*     2 CH2       single      1.529     .020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
 DM1-CH2  1 C3*     1 N3*     2 CH2     117.400    3.000
#
data_link_CH3-N1
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 CH3-N1   1 C       2 N1        single      1.465     .020
#
data_link_CH3-O2*
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 CH3-O2*  1 C       2 O2*       single      1.410     .020
#
data_link_MG-O1P
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MG-O1P   1 MG      2 O1P       single      2.180     .020
#
data_link_MG-O2P
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 MG-O2P   1 MG      2 O2P       single      2.180     .020
#
data_link_BR-C5
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 BR-C5    1 BR      2 C5        single      1.820     .020
#
data_link_ILG_CD-N
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ILG_CD-N 1 CD      2 N         .           1.330     .020
#
data_link_ILG_CD-p
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 ILG_CD-p 1 CD      2 N         .           1.330     .020
#
data_link_symmetry
#
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
 symmetry 0 .       0 .         .            .000     .020
#
data_link_ALASNN
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ALASNN      1      C      2      N3      single      1.330      0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ALASNN      2      C3      2      N3      1      C      121.500      3.000
ALASNN      2      HN31      2      N3      1      C      120.000      3.000
ALASNN      2      N3      1      C      1      O      123.000      3.000
ALASNN      2      N3      1      C      1      CA      116.500      3.000
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
ALASNN      plan-1      1      C      0.020
ALASNN      plan-1      1      CA      0.020
ALASNN      plan-1      1      O      0.020
ALASNN      plan-1      2      N3      0.020
ALASNN      plan-1      2      C3      0.020
ALASNN      plan-1      2      HN31      0.020
#

data_link_ACYSNN
loop_
_chem_link_bond.link_id
_chem_link_bond.atom_1_comp_id
_chem_link_bond.atom_id_1
_chem_link_bond.atom_2_comp_id
_chem_link_bond.atom_id_2
_chem_link_bond.type
_chem_link_bond.value_dist
_chem_link_bond.value_dist_esd
ACYSNN      1      CH3      2      N1      single      1.455      0.020
loop_
_chem_link_angle.link_id
_chem_link_angle.atom_1_comp_id
_chem_link_angle.atom_id_1
_chem_link_angle.atom_2_comp_id
_chem_link_angle.atom_id_2
_chem_link_angle.atom_3_comp_id
_chem_link_angle.atom_id_3
_chem_link_angle.value_angle
_chem_link_angle.value_angle_esd
ACYSNN      2      C2      2      N1      1      CH3      127.000      3.000
ACYSNN      1      CH3      2      N1      2      C5      127.000      3.000
ACYSNN      2      N1      1      CH3      1      HH31      109.470      3.000
ACYSNN      2      N1      1      CH3      1      HH32      109.470      3.000
ACYSNN      2      N1      1      CH3      1      C      109.500      3.000
loop_
_chem_link_plane.link_id
_chem_link_plane.plane_id
_chem_link_plane.atom_comp_id
_chem_link_plane.atom_id
_chem_link_plane.dist_esd
ACYSNN      plan-3      2      N1      0.020
ACYSNN      plan-3      1      CH3      0.020
ACYSNN      plan-3      2      C5      0.020
ACYSNN      plan-3      2      C2      0.020
#
data_mod_NH3
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 NH3      change   N      N      .    NT3    -1.000
 NH3      add      .      H1     H    HNT3     .000
 NH3      add      .      H2     H    HNT3     .000
 NH3      add      .      H3     H    HNT3     .000
 NH3      delete   H      .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 NH3      change   N      n/a    .        CA     START
 NH3      add      H1     N      .        .      .
 NH3      add      H2     N      .        .      .
 NH3      add      H3     N      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 NH3      add      N       H1        single       .960     .020
 NH3      add      N       H2        single       .960     .020
 NH3      add      N       H3        single       .960     .020
 NH3      change   N       CA        single      1.491     .021
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 NH3      add      H2      N       H3      109.470    3.000
 NH3      add      H3      N       CA      109.470    3.000
 NH3      add      H2      N       CA      109.470    3.000
 NH3      add      H1      N       H2      109.470    3.000
 NH3      add      H1      N       H3      109.470    3.000
 NH3      add      H1      N       CA      109.470    3.000
#
data_mod_NH1
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 NH1      change   N      N      .    NH1      .000
 NH1      add      .      HN     H    HNH1     .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 NH1      change   N      n/a    .        CA     START
 NH1      add      HN     N      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 NH1      add      N       HN        single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 NH1      add      HN      N       CA      120.000    3.000
 NH1      add      HN      N       CD      120.000    3.000
#
data_mod_NH2
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 NH2      change   N      N      .    NH2      .000
 NH2      add      .      HN1    H    HNH2     .000
 NH2      add      .      HN2    H    HNH2     .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 NH2      change   N      n/a    .        CA     START
 NH2      add      HN1    N      .        .      .
 NH2      add      HN2    N      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 NH2      add      N       HN1       single       .960     .020
 NH2      add      N       HN2       single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 NH2      add      HN1     N       CA      109.470    3.000
 NH2      add      HN2     N       CD      109.470    3.000
 NH2      add      HN1     N       HN2     109.470    3.000
#
data_mod_NH2N
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 NH2N     change   N      N      .    NH2      .000
 NH2N     add      .      HN1    H    HNH2     .000
 NH2N     add      .      HN2    H    HNH2     .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 NH2N     change   N      n/a    .        CA     START
 NH2N     add      HN1    N      .        .      .
 NH2N     add      HN2    N      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 NH2N     add      N       HN1       single       .960     .020
 NH2N     add      N       HN2       single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 NH2N     add      HN1     N       CA      109.470    3.000
 NH2N     add      HN2     N       CN      109.470    3.000
 NH2N     add      HN1     N       HN2     109.470    3.000
#
data_mod_COO
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 COO      change   C      C      .    C        .000
 COO      change   O      O      .    OC      -.500
 COO      add      .      OXT    O    OC      -.500
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 COO      add      OXT    C      .        .      END
 COO      change   C      n/a    .        OXT    .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 COO      change   C       O         deloc       1.231     .020
 COO      add      C       OXT       deloc       1.231     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 COO      change   CA      C       O       121.000    3.000
 COO      add      CA      C       OXT     121.000    3.000
 COO      add      O       C       OXT     118.000    3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
 COO      add      psi      N      CA     C      OXT     160.00  30.0 2
loop_
_chem_mod_plane_atom.mod_id
_chem_mod_plane_atom.function
_chem_mod_plane_atom.plane_id
_chem_mod_plane_atom.atom_id
_chem_mod_plane_atom.new_dist_esd
 COO        add       oxt      C          .020
 COO        add       oxt      CA         .020
 COO        add       oxt      O          .020
 COO        add       oxt      OXT        .020
#
data_mod_AA-STAND
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 AA-STAND change   N      N      .    NH1     0.000
 AA-STAND delete   H      .      .    .        .000
 AA-STAND delete   HN     .      .    .        .000
 AA-STAND delete   H1     .      .    .        .000
 AA-STAND delete   H2     .      .    .        .000
 AA-STAND delete   H3     .      .    .        .000
 AA-STAND delete   HN1    .      .    .        .000
 AA-STAND delete   HN2    .      .    .        .000
 AA-STAND delete   HN3    .      .    .        .000
 AA-STAND delete   OXT    .      .    .        .000
 AA-STAND delete   HXT    .      .    .        .000
 AA-STAND add      .      H      H    HNH1    0.000
 AA-STAND change   C      C      .    C       0.000
 AA-STAND change   O      O      .    O       0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 AA-STAND change   N      n/a    .        .      START
 AA-STAND change   C      CA     .        .      END
 AA-STAND add      H      N      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 AA-STAND add      N       H         single       .860     .020
 AA-STAND change   N       CA        single      1.458     .021
 AA-STAND change   C       O         double      1.231     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 AA-STAND add      H       N       CA      114.000    3.000
 AA-STAND change   CA      C       O       120.800    1.700
#
data_mod_AA-STPRO
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 AA-STPRO change   N      N      .    N       0.000
 AA-STPRO delete   H      .      .    .        .000
 AA-STPRO delete   HN     .      .    .        .000
 AA-STPRO delete   H1     .      .    .        .000
 AA-STPRO delete   H2     .      .    .        .000
 AA-STPRO delete   H3     .      .    .        .000
 AA-STPRO delete   HN1    .      .    .        .000
 AA-STPRO delete   HN2    .      .    .        .000
 AA-STPRO delete   HN3    .      .    .        .000
 AA-STPRO delete   OXT    .      .    .        .000
 AA-STPRO delete   HXT    .      .    .        .000
 AA-STPRO change   C      C      .    C       0.000
 AA-STPRO change   O      O      .    O       0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 AA-STPRO change   N      n/a    .        .      START
 AA-STPRO change   C      CA     .        .      END
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 AA-STPRO change   N       CA        single      1.458     .021
 AA-STPRO change   C       O         double      1.231     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 AA-STPRO change   CA      C       O       120.000    1.700
#
data_mod_NA-STAND
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 NA-STAND delete   O3T    .      .    .        .000
 NA-STAND delete   O3P    .      .    .        .000
 NA-STAND delete   HOP1   .      .    .        .000
 NA-STAND delete   HOP2   .      .    .        .000
 NA-STAND delete   HOP3   .      .    .        .000
 NA-STAND change   O3*    .      .    OC2      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 NA-STAND add      P      n/a    .        .      START
#
data_mod_CM-COO
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 CM-COO   change   C      C      .    C       0.000
 CM-COO   change   O      O      .    OC     -0.500
 CM-COO   add      .      OXT    O    OC     -0.500
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 CM-COO   add      OXT    C      .        .      END
 CM-COO   change   C      n/a    .        OXT    .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 CM-COO   change   C       O         deloc       1.231     .020
 CM-COO   add      C       OXT       deloc       1.231     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 CM-COO   change   CM      C       O       121.000    3.000
 CM-COO   add      CM      C       OXT     121.000    3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
 CM-COO   add      psi      CH     CM     C      OXT     160.00  30.0 2
#
data_mod_5*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 5*END    delete   P      .      .    .        .000
 5*END    delete   OP1    .      .    .        .000
 5*END    delete   OP2    .      .    .        .000
 5*END    delete   OP3    .      .    .        .000
 5*END    change   'O5''    'O5''    .    OH1     0.000
 5*END    add      .      'HO5''   H    HOH1    0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 5*END    delete   P      n/a    .        .      .
 5*END    delete   O1P    n/a    .        .      .
 5*END    delete   O2P    n/a    .        .      .
 5*END    change   'O5''    n/a    .        'C5''    START
 5*END    add      'HO5''   'O5''    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 5*END    add      'O5''     'HO5''      single       .980     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 5*END    add      'C5''     'O5''     'HO5''    120.000    3.000
#
data_mod_3*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 3*END    change   'O3''    'O3''    .    OH1     0.000
 3*END    add      .      'HO3''   H    HOH1     0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 3*END    change   'O3''    'C3''    .        .      END
 3*END    add      'HO3''   'O3''    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 3*END    add      'O3''     'HO3''      single       .980     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 3*END    add      'C3''     'O3''     'HO3''    120.000    3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
 3*END    add      hh       'C4''    'C3''    'O3''    'HO3''       .00  30.0 3
#
data_mod_p5*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 p5*END   change      OP3      OP3    O    OP      -.330
#
data_mod_p3*END
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 p3*END   change   'O3''    'O3''    .    OH1     0.000
 p3*END   add      .      'HO3''   H    HOH1     0.000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 p3*END   change   'O3''    'C3''    .        .      END
 p3*END   add      'HO3''   'O3''    .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 p3*END   add      'O3''     'HO3''      single       .980     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 p3*END   add      'C3''     'O3''     'HO3''    120.000    3.000
loop_
_chem_mod_tor.mod_id
_chem_mod_tor.function
_chem_mod_tor.id
_chem_mod_tor.atom_id_1
_chem_mod_tor.atom_id_2
_chem_mod_tor.atom_id_3
_chem_mod_tor.atom_id_4
_chem_mod_tor.new_value_angle
_chem_mod_tor.new_value_angle_esd
_chem_mod_tor.new_period
 p3*END   add      hh       'C4''    'C3''    'O3''    'HO3''       .00  30.0 3
#
data_mod_FOR-N
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 FOR-N    add      .      H      H    HC1      .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 FOR-N    add      H      C      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 FOR-N    add      C       H         single       .960     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 FOR-N    add      H       C       O       121.000    3.000
#
data_mod_FOR-C
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 FOR-C    change   O      O      .    OC     -0.500
 FOR-C    add      .      OXT    O    OC     -0.500
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 FOR-C    add      OXT    C      .        .      .
loop_
_chem_mod_bond.mod_id
_chem_mod_bond.function
_chem_mod_bond.atom_id_1
_chem_mod_bond.atom_id_2
_chem_mod_bond.new_type
_chem_mod_bond.new_value_dist
_chem_mod_bond.new_value_dist_esd
 FOR-C    change   C       O         deloc       1.231     .020
 FOR-C    add      C       OXT       deloc       1.231     .020
loop_
_chem_mod_angle.mod_id
_chem_mod_angle.function
_chem_mod_angle.atom_id_1
_chem_mod_angle.atom_id_2
_chem_mod_angle.atom_id_3
_chem_mod_angle.new_value_angle
_chem_mod_angle.new_value_angle_esd
 FOR-C    add      O       C       OXT     120.000    3.000
#
data_mod_G-N2
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 G-N2     delete   N2     .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 G-N2     delete   N2     n/a    .        .      .
#
data_mod_DEL-O1
#
loop_
_chem_mod_atom.mod_id
_chem_mod_atom.function
_chem_mod_atom.atom_id
_chem_mod_atom.new_atom_id
_chem_mod_atom.new_type_symbol
_chem_mod_atom.new_type_energy
_chem_mod_atom.new_partial_charge
 DEL-O1   delete   O1     .      .    .        .000
 DEL-O1   delete   HO1    .      .    .        .000
loop_
_chem_mod_tree.mod_id
_chem_mod_tree.function
_chem_mod_tree.atom_id
_chem_mod_tree.atom_back
_chem_mod_tree.back_type
_chem_mod_tree.atom_forward
_chem_mod_tree.connect_type
 DEL-O1   delete