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  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
  • Count is the number of BioLiP entries with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through BioLiP.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    34401
    N9P
    CHEMBL4249170
    ZINC000002385772    		 0 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c9-7(8
    (11)12)5-6-1-3-10-4-2-6/h
    1-4,7H,5,9H2,(H,11,12)/t7
    -/m0/s1;
    FQFVANSXYKWQOT-ZETCQYMHSA-N    		 c1cnccc1C[C@@H](C(=O)O)N; N[CH](Cc1ccncc
    1)C(O)=O; NC(C(=O)O)Cc1ccncc1; N[C@@H](C
    c1ccncc1)C(O)=O; c1cnccc1CC(C(=O)O)N    		 3-pyridin-4-yl-L-alanine
    34402
    N9Q
    CHEMBL3676150
    ZINC000166584770    		 2 C20 H20 Cl N O5 InChI=1S/C20H20ClNO5/c21-
    16-3-1-2-15(11-16)14-6-4-
    13(5-7-14)10-17(12-20(26)
    27)22-18(23)8-9-19(24)25/
    h1-7,11,17H,8-10,12H2,(H,
    22,23)(H,24,25)(H,26,27)/
    t17-/m1/s1;
    ZBGYPMPWJWNWEA-QGZVFWFLSA-N    		 c1cc(cc(c1)Cl)c2ccc(cc2)CC(CC(=O)O)NC(=O
    )CCC(=O)O; c1cc(cc(c1)Cl)c2ccc(cc2)C[C@H
    ](CC(=O)O)NC(=O)CCC(=O)O; OC(=O)CCC(=O)N
    [CH](CC(O)=O)Cc1ccc(cc1)c2cccc(Cl)c2; OC
    (=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)c2
    cccc(Cl)c2    		 4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid
    34403
    N9R
    CHEMBL5400930    		 1 C16 H14 N4 O InChI=1S/C16H14N4O/c1-3-1
    6(21)19-15-8-13(17-10-18-
    15)12-9-20(2)14-7-5-4-6-1
    1(12)14/h3-10H,1H2,2H3,(H
    ,17,18,19,21);
    JXDHZXSSDRPBDG-UHFFFAOYSA-N    		 Cn1cc(c2cc(NC(=O)C=C)ncn2)c3ccccc13; Cn1
    cc(c2c1cccc2)c3cc(ncn3)NC(=O)C=C    		 ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
    34404
    N9S
    CHEMBL1908365    		 0 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    3-5(15)6(16)9(19)12(22-3)
    23-10-4(2-14)21-11(20)8(1
    8)7(10)17/h3-20H,1-2H2/t3
    -,4-,5-,6+,7-,8-,9-,10-,1
    1-,12-/m1/s1;
    GUBGYTABKSRVRQ-QUYVBRFLSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C
    @@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)
    O)O)O)O; O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)
    C(O)C2O)CO; C(C1C(C(C(C(O1)OC2C(OC(C(C2O
    )O)O)CO)O)O)O)O; OC[C@H]1O[C@H](O[C@H]2[
    C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H]
    (O)[C@@H](O)[C@@H]1O; OC[CH]1O[CH](O[CH]
    2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[C
    H](O)[CH]1O    		 4-O-alpha-D-Glucopyranosyl-beta-D-glucopyranose;
    Beta-Maltose
    34405
    N9T
    CHEMBL4648322    		 1 C25 H28 N2 O5 InChI=1S/C25H28N2O5/c1-30
    -22-13-18-12-20(25(29)32-
    21(18)14-23(22)31-2)27-24
    (28)17-9-6-10-19(11-17)26
    -15-16-7-4-3-5-8-16/h3-5,
    7-8,12-14,17,19,26H,6,9-1
    1,15H2,1-2H3,(H,27,28)/t1
    7-,19+/m1/s1;
    UGTGSTDFYWUXNH-MJGOQNOKSA-N    		 COc1cc2c(cc1OC)OC(=O)C(=C2)NC(=O)[C@@H]3
    CCC[C@@H](C3)NCc4ccccc4; COc1cc2OC(=O)C(
    =Cc2cc1OC)NC(=O)[CH]3CCC[CH](C3)NCc4cccc
    c4; COc1cc2OC(=O)C(=Cc2cc1OC)NC(=O)[C@@H
    ]3CCC[C@@H](C3)NCc4ccccc4; COc1cc2c(cc1O
    C)OC(=O)C(=C2)NC(=O)C3CCCC(C3)NCc4ccccc4    		 (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide
    34406
    N9U
    CHEMBL23743    		 4 C20 H27 N5 O6 InChI=1S/C20H27N5O6/c1-2-
    3-8-30-20(29)24-16(19(27)
    28)11-23-17(26)10-14-9-15
    (25-31-14)12-4-6-13(7-5-1
    2)18(21)22/h4-7,14,16H,2-
    3,8-11H2,1H3,(H3,21,22)(H
    ,23,26)(H,24,29)(H,27,28)
    /t14-,16+/m1/s1;
    SRRJCHGGTPFZSS-ZBFHGGJFSA-N    		 O=C(O)C(NC(=O)OCCCC)CNC(=O)CC1CC(=NO1)c1
    ccc(cc1)C(=N)N; [H]/N=C(\c1ccc(cc1)C2=NO
    [C@H](C2)CC(=O)NC[C@@H](C(=O)O)NC(=O)OCC
    CC)/N; CCCCOC(=O)N[CH](CNC(=O)C[CH]1CC(=
    NO1)c2ccc(cc2)C(N)=N)C(O)=O; CCCCOC(=O)N
    [C@@H](CNC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)C
    (N)=N)C(O)=O; CCCCOC(=O)NC(CNC(=O)CC1CC(
    =NO1)c2ccc(cc2)C(=N)N)C(=O)O    		 Roxifiban;
    N-(butoxycarbonyl)-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}-L-alanine
    34407
    N9V    		 4 C26 H40 N7 O19 P3 S InChI=1S/C26H40N7O19P3S/c
    1-4-13(24(38)39)25(40)56-
    8-7-28-15(34)5-6-29-22(37
    )19(36)26(2,3)10-49-55(46
    ,47)52-54(44,45)48-9-14-1
    8(51-53(41,42)43)17(35)23
    (50-14)33-12-32-16-20(27)
    30-11-31-21(16)33/h5-6,11
    -14,17-19,23,35-36H,4,7-1
    0H2,1-3H3,(H,28,34)(H,29,
    37)(H,38,39)(H,44,45)(H,4
    6,47)(H2,27,30,31)(H2,41,
    42,43)/b6-5+/t13-,14+,17+
    ,18+,19-,23+/m0/s1;
    FBYIVOIRCUIQPJ-YWIQEZFGSA-N    		 CCC(C(=O)O)C(=O)SCCNC(=O)C=CNC(=O)C(C(C)
    (C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc
    3c2ncnc3N)O)OP(=O)(O)O)O; CCC(C(O)=O)C(S
    CCNC([C@H]=CNC(C(O)C(COP(=O)(O)OP(=O)(O)
    OCC3C(C(O)C(n2cnc1c(N)ncnc12)O3)OP(O)(=O
    )O)(C)C)=O)=O)=O; CC[C@@H](C(=O)O)C(=O)S
    CCNC(=O)/C=C/NC(=O)[C@@H](C(C)(C)COP(=O)
    (O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](
    O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CC[CH]
    (C(O)=O)C(=O)SCCNC(=O)C=CNC(=O)[CH](O)C(
    C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]
    ([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc
    23; CC[C@@H](C(O)=O)C(=O)SCCNC(=O)/C=C/N
    C(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(
    =O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)
    (O)=O)n2cnc3c(N)ncnc23    		 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
    34408
    N9W
    CHEMBL2018302
    ZINC000051951670    		 2 C20 H21 N3 O2 InChI=1S/C20H21N3O2/c1-22
    -11-10-19-17(13-22)16-4-2
    -3-5-18(16)23(19)12-14-6-
    8-15(9-7-14)20(24)21-25/h
    2-9,25H,10-13H2,1H3,(H,21
    ,24);
    GOVYBPLHWIEHEJ-UHFFFAOYSA-N    		 CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1
    ; CN1CCc2n(Cc3ccc(cc3)C(=O)NO)c4ccccc4c2
    C1    		 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide
    34409
    N9X    		 1 C22 H27 N3 O7 S InChI=1S/C22H27N3O7S/c1-1
    0-17(15(9-26)11(2)27)25-1
    8(22(31)32)19(10)33-14-7-
    16(23-8-14)20(28)24-13-5-
    3-12(4-6-13)21(29)30/h3-6
    ,9-11,14-17,19,23,27H,7-8
    H2,1-2H3,(H,24,28)(H,29,3
    0)(H,31,32)/t10-,11-,14+,
    15-,16-,17-,19-/m1/s1;
    AKERAHWFSYYFHP-OIROVCEBSA-N    		 C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](
    C)O)C(=O)O)S[C@H]2C[C@@H](NC2)C(=O)Nc3cc
    c(cc3)C(=O)O; C[CH](O)[CH](C=O)[CH]1N=C(
    [CH](S[CH]2CN[CH](C2)C(=O)Nc3ccc(cc3)C(O
    )=O)[CH]1C)C(O)=O; C[C@@H](O)[C@@H](C=O)
    [C@@H]1N=C([C@H](S[C@@H]2CN[C@H](C2)C(=O
    )Nc3ccc(cc3)C(O)=O)[C@@H]1C)C(O)=O; CC1C
    (C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)C(=O
    )Nc3ccc(cc3)C(=O)O    		 Ertapenem;
    (3~{R},4~{R},5~{S})-3-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxylic acid
    34410
    N9Y
    CHEMBL4466084    		 2 C20 H29 N5 O4 InChI=1S/C20H29N5O4/c26-1
    4-24(29)13-16(12-15-6-1-2
    -7-15)20(28)25-17(8-5-11-
    22-25)19(27)23-18-9-3-4-1
    0-21-18/h3-4,9-10,14-17,2
    2,29H,1-2,5-8,11-13H2,(H,
    21,23,27)/t16-,17+/m1/s1;
    IGYIJLMSSQSKHF-SJORKVTESA-N    		 ON(C[CH](CC1CCCC1)C(=O)N2NCCC[CH]2C(=O)N
    c3ccccn3)C=O; c1ccnc(c1)NC(=O)C2CCCNN2C(
    =O)C(CC3CCCC3)CN(C=O)O; c1ccnc(c1)NC(=O)
    [C@@H]2CCCNN2C(=O)[C@H](CC3CCCC3)CN(C=O)
    O; ON(C[C@@H](CC1CCCC1)C(=O)N2NCCC[C@H]2
    C(=O)Nc3ccccn3)C=O; C(N(C=O)O)C(CC1CCCC1
    )C(N2C(CCCN2)C(=O)Nc3ccccn3)=O    		 (3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide
    34411
    N9Z
    CHEMBL5179237    		 2 C17 H18 N8 InChI=1S/C17H18N8/c1-17(6
    -7-17)24-15-14-13(4-3-11(
    20-14)5-8-18)22-16(23-15)
    21-12-9-19-25(2)10-12/h3-
    4,9-10H,5-7H2,1-2H3,(H2,2
    1,22,23,24);
    JFENAOLGJWVSCK-UHFFFAOYSA-N    		 Cn1cc(Nc2nc(NC3(C)CC3)c4nc(CC#N)ccc4n2)c
    n1; CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4
    cnn(c4)C    		 2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile
    34412
    NA
    DB14516    		 1122 Na InChI=1S/Na/q+1;
    FKNQFGJONOIPTF-UHFFFAOYSA-N    		 [Na+] SODIUM ION
    34413
    NA0    		 4 C22 H29 N6 O17 P3 InChI=1S/C22H29N6O17P3/c1
    -10(29)11-3-2-4-27(5-11)2
    1-17(32)15(30)12(42-21)6-
    40-47(36,37)45-48(38,39)4
    1-7-13-16(31)18(44-46(33,
    34)35)22(43-13)28-9-26-14
    -19(23)24-8-25-20(14)28/h
    2-5,8-9,12-13,15-18,21-22
    ,30-32H,6-7H2,1H3,(H5-,23
    ,24,25,33,34,35,36,37,38,
    39)/t12-,13-,15+,16+,17+,
    18+,21+,22+/m0/s1;
    CWZSJEPJRFQEBR-SIEFPTHMSA-N    		 CC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-]
    )(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O
    )(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[C
    H]2O; CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C
    @@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O
    )(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5
    c4ncnc5N)OP(=O)(O)O)O)O)O; CC(=O)c1ccc[n
    +](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)O
    CC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)
    O)O; CC(=O)c1ccc[n+](c1)[C@@H]2O[C@@H](C
    O[P]([O-])(=O)O[P](O)(=O)OC[C@@H]3O[C@H]
    ([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)n
    cnc45)[C@@H](O)[C@H]2O    		 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE PHOSPHATE;
    [[(2S,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-HYDROXY-4-PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] [(2S,3S,4R,5R)-5-(3-ETHANOYLPYRIDIN-1-IUM-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL PHOSPHATE
    34414
    NA1    		 4 C9 H17 N O6 InChI=1S/C9H17NO6/c1-4(11
    )10-6-8(13)7(12)5(3-15-2)
    16-9(6)14/h5-9,12-14H,3H2
    ,1-2H3,(H,10,11)/t5-,6-,7
    -,8+,9?/m1/s1;
    KDTVUHXJRZVEIF-NBTWYFBKSA-N    		 CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H
    ]1O)COC)O)O; CC(=O)NC1C(C(C(OC1O)COC)O)O
    ; COC[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[C
    H]1O; COC[C@H]1O[C@H](O)[C@H](NC(C)=O)[C
    @H](O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO
    C)C    		 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose;
    METHYL N-ACETYL ALLOSAMINE;
    2-(ACETYLAMINO)-2-DEOXY-6-O-METHYL-ALPHA-D-ALLOPYRANOSE;
    2-acetamido-2-deoxy-6-O-methyl-alpha-D-allose;
    2-acetamido-2-deoxy-6-O-methyl-D-allose;
    2-acetamido-2-deoxy-6-O-methyl-allose
    34415
    NA2    		 0 H4 Na O2 InChI=1/Na.2H2O/h;2*1H2/q
    -1;;/rH4NaO2/c2-1-3/h2-3H
    2/q-1;
    NYWRVCJSTPGLAV-VUTWDPKAAD    		 [OH2-][Na+][OH2-] SODIUM ION, 2 WATER COORDINATED
    34416
    NA3
    CHEMBL67955
    ZINC000000009008    		 2 C10 H9 Br N2 O4 InChI=1S/C10H9BrN2O4/c11-
    7-1-6(3-12-4-7)10(17)13-8
    (5-14)2-9(15)16/h1,3-5,8H
    ,2H2,(H,13,17)(H,15,16)/t
    8-/m0/s1;
    FBMPVEGAIMRCBG-QMMMGPOBSA-N    		 c1c(cncc1Br)C(=O)NC(CC(=O)O)C=O; c1c(cnc
    c1Br)C(=O)N[C@@H](CC(=O)O)C=O; OC(=O)C[C
    H](NC(=O)c1cncc(Br)c1)C=O; OC(=O)C[C@H](
    NC(=O)c1cncc(Br)c1)C=O; O=C(c1cncc(Br)c1
    )NC(C=O)CC(=O)O    		 (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID
    34417
    NA4
    CHEMBL310554
    DB08251
    ZINC000000026888    		 4 C17 H14 N2 O6 InChI=1S/C17H14N2O6/c20-9
    -14(6-15(21)22)19-16(23)1
    3-5-12(7-18-8-13)10-1-3-1
    1(4-2-10)17(24)25/h1-5,7-
    9,14H,6H2,(H,19,23)(H,21,
    22)(H,24,25)/t14-/m0/s1;
    JNRAPROKLOUIRA-AWEZNQCLSA-N    		 O=C(O)CC(C=O)NC(=O)c2cncc(c1ccc(C(=O)O)c
    c1)c2; OC(=O)C[CH](NC(=O)c1cncc(c1)c2ccc
    (cc2)C(O)=O)C=O; c1cc(ccc1c2cc(cnc2)C(=O
    )NC(CC(=O)O)C=O)C(=O)O; OC(=O)C[C@H](NC(
    =O)c1cncc(c1)c2ccc(cc2)C(O)=O)C=O; c1cc(
    ccc1c2cc(cnc2)C(=O)N[C@@H](CC(=O)O)C=O)C
    (=O)O    		 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID
    34418
    NA5    		 0 H10 Na O5 InChI=1/Na.5H2O/h;5*1H2/q
    -4;;;;;/rH10NaO5/c2-1(3,4
    ,5)6/h2-6H2/q-4;
    ZIONRWJDYJRHOS-GWJQXBJQAN    		 [OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-
    ]    		 SODIUM ION, 5 WATERS COORDINATED
    34419
    NA6    		 0 H12 Na O6 InChI=1/Na.6H2O/h;6*1H2/q
    -5;;;;;;/rH12NaO6/c2-1(3,
    4,5,6)7/h2-7H2/q-5;
    ZAHMTDNTTBKIQR-FHEHRGSWAM    		 [OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2
    -])[OH2-]    		 SODIUM ION, 6 WATERS COORDINATED
    34420
    NA7
    ZINC000058661303    		 13 C15 H24 N5 O16 P3 InChI=1S/C15H24N5O16P3/c1
    6-13-9-14(18-4-17-13)20(5
    -19-9)15-12(35-37(24,25)2
    6)11(23)8(34-15)3-33-39(2
    9,30)36-38(27,28)32-2-7-1
    0(22)6(21)1-31-7/h4-8,10-
    12,15,21-23H,1-3H2,(H,27,
    28)(H,29,30)(H2,16,17,18)
    (H2,24,25,26)/t6-,7+,8+,1
    0-,11+,12+,15+/m0/s1;
    XDDBFIXGEVGCEU-AOOZFPJJSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H
    ]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=
    O)O[P@](O)(=O)OC[C@H]4OC[C@H](O)[C@@H]4O
    )[C@@H](O)[C@H]3O[P](O)(O)=O; c1nc(c2c(n
    1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC
    C4C(C(CO4)O)O)O)OP(=O)(O)O)N; O=P(O)(OCC
    1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc2
    3)N)C(OP(=O)(O)O)C4O; Nc1ncnc2n(cnc12)[C
    H]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O
    C[CH](O)[CH]4O)[CH](O)[CH]3O[P](O)(O)=O    		 [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
    34421
    NA8    		 0 C13 H14 N O2 InChI=1S/C13H13NO2/c14-12
    (13(15)16)8-9-5-6-10-3-1-
    2-4-11(10)7-9/h1-7,12H,8,
    14H2,(H,15,16)/p+1/t12-/m
    0/s1;
    JPZXHKDZASGCLU-LBPRGKRZSA-O    		 O=C(O)C([NH3+])Cc2ccc1c(cccc1)c2; [NH3+]
    [C@@H](Cc1ccc2ccccc2c1)C(O)=O; c1ccc2cc(
    ccc2c1)CC(C(=O)O)[NH3+]; c1ccc2cc(ccc2c1
    )C[C@@H](C(=O)O)[NH3+]; [NH3+][CH](Cc1cc
    c2ccccc2c1)C(O)=O    		 (1S)-1-CARBOXY-2-NAPHTHALEN-2-YLETHANAMINIUM
    34422
    NA9
    CHEMBL208262
    ZINC000016051758    		 1 C22 H34 N6 O4 InChI=1S/C22H34N6O4/c1-14
    (21(31)27-12-16-8-9-17(20
    (23)24)25-11-16)28(2)22(3
    2)18(26-13-19(29)30)10-15
    -6-4-3-5-7-15/h8-9,11,14-
    15,18,26H,3-7,10,12-13H2,
    1-2H3,(H3,23,24)(H,27,31)
    (H,29,30)/t14-,18+/m0/s1;
    XVBUQSSETBYPJB-KBXCAEBGSA-N    		 C[CH](N(C)C(=O)[CH](CC1CCCCC1)NCC(O)=O)C
    (=O)NCc2ccc(nc2)C(N)=N; [H]/N=C(\c1ccc(c
    n1)CNC(=O)[C@H](C)N(C)C(=O)[C@@H](CC2CCC
    CC2)NCC(=O)O)/N; C[C@H](N(C)C(=O)[C@@H](
    CC1CCCCC1)NCC(O)=O)C(=O)NCc2ccc(nc2)C(N)
    =N; [H]N=C(c1ccc(cn1)CNC(=O)C(C)N(C)C(=O
    )C(CC2CCCCC2)NCC(=O)O)N; O=C(O)CNC(C(=O)
    N(C)C(C(=O)NCc1cnc(C(=[N@H])N)cc1)C)CC2C
    CCCC2    		 N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE;
    2-((R)-1-(((S)-1-((6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLAMINO)-1-OXOPROPAN-2-YL)(METHYL)AMINO)-3-CYCLOHEXYL-1-OXOPROPAN-2- YLAMINO)ACETIC ACID
    34423
    NAA
    DB03109
    ZINC000005883957    		 0 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6-,7
    +,8-/m1/s1;
    OVRNDRQMDRJTHS-UIAUGNHASA-N    		 CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]
    1O)CO)O)O; CC(=O)N[CH]1[CH](O)O[CH](CO)[
    CH](O)[CH]1O; CC(=O)N[C@H]1[C@H](O)O[C@H
    ](CO)[C@@H](O)[C@H]1O; O=C(NC1C(O)C(O)C(
    OC1O)CO)C; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-acetamido-2-deoxy-beta-D-allopyranose;
    N-acetyl-beta-D-allosamine;
    2-acetamido-2-deoxy-beta-D-allose;
    2-acetamido-2-deoxy-D-allose;
    2-acetamido-2-deoxy-allose;
    N-ACETYL-D-ALLOSAMINE
    34424
    NAB
    DB08252
    ZINC000004954387    		 2 C17 H12 N2 O3 InChI=1S/C17H12N2O3/c20-1
    6-10-9-15(11-5-1-2-6-12(1
    1)16)19-18-14-8-4-3-7-13(
    14)17(21)22/h1-10,20H,(H,
    21,22)/b19-18+;
    SXAUIPSOPPASFY-VHEBQXMUSA-N    		 OC(=O)c1ccccc1N=Nc2ccc(O)c3ccccc23; O=C(
    O)c3ccccc3/N=N/c2c1ccccc1c(O)cc2; c1ccc2
    c(c1)c(ccc2O)N=Nc3ccccc3C(=O)O; c1ccc2c(
    c1)c(ccc2O)/N=N/c3ccccc3C(=O)O    		 2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID
    34425
    NAC
    DB03363    		 0 C22 H28 N6 O14 P2 InChI=1/C22H28N6O14P2/c1-
    10(29)11-3-2-4-27(5-11)21
    -17(32)15(30)12(40-21)6-3
    8-43(34,35)42-44(36,37)39
    -7-13-16(31)18(33)22(41-1
    3)28-9-26-14-19(23)24-8-2
    5-20(14)28/h2-5,8-9,12-13
    ,15-18,21-22,30-33H,6-7H2
    ,1H3,(H3-,23,24,25,34,35,
    36,37)/t12-,13-,15-,16-,1
    7-,18-,21-,22-/m1/s1/f/h3
    6H,23H2;
    KPVQNXLUPNWQHM-XEBFETGLDF    		 CC(=O)c1ccc[n+](c1)C2C(C(C(O2)COP(=O)([O
    -])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)
    O)O)O)O; CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]
    ([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](
    =O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)O)O)O; CC(=O)c1ccc[n+](c1)
    [CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[
    CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45
    )[CH](O)[CH]2O; CC(=O)c1ccc[n+](c1)[C@@H
    ]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[
    C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)n
    cnc45)[C@@H](O)[C@H]2O    		 3-ACETYL PYRIDINE ADENINE DINUCLEOTIDE
    34426
    NAD
    CHEMBL1234613
    DB14128    		 7264 C21 H27 N7 O14 P2 InChI=1S/C21H27N7O14P2/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(32)14(30)11
    (41-21)6-39-44(36,37)42-4
    3(34,35)38-5-10-13(29)15(
    31)20(40-10)27-3-1-2-9(4-
    27)18(23)33/h1-4,7-8,10-1
    1,13-16,20-21,29-32H,5-6H
    2,(H5-,22,23,24,25,33,34,
    35,36,37)/t10-,11-,13-,14
    -,15-,16-,20-,21-/m1/s1;
    BAWFJGJZGIEFAR-NNYOXOHSSA-N    		 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([
    O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H]
    (O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C
    @H]2O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(
    [O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5
    N)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1)[CH
    ]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]
    3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[C
    H](O)[CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H](
    [C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](
    =O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)O)O)O)C(=O)N    		 NICOTINAMIDE-ADENINE-DINUCLEOTIDE
    34427
    NAE
    DB02732    		 9 C24 H31 N7 O15 P2 InChI=1S/C24H31N7O15P2/c1
    -10(32)4-11-2-3-30(5-12(1
    1)21(26)37)23-18(35)16(33
    )13(44-23)6-42-47(38,39)4
    6-48(40,41)43-7-14-17(34)
    19(36)24(45-14)31-9-29-15
    -20(25)27-8-28-22(15)31/h
    2-3,5,8-9,13-14,16-19,23-
    24,33-36H,4,6-7H2,1H3,(H5
    -,25,26,27,28,37,38,39,40
    ,41)/t13-,14-,16-,17-,18-
    ,19-,23-,24-/m1/s1;
    SGHBFOOIAAJJMI-YDKVLQLQSA-N    		 CC(=O)Cc1cc[n+](cc1C(=O)N)C2C(C(C(O2)COP
    (=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4
    ncnc5N)O)O)O)O; CC(=O)Cc1cc[n+](cc1C(=O)
    N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=
    O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H
    ]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O; CC(=
    O)Cc1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P]([
    O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[
    CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; CC
    (=O)Cc1cc[n+](cc1C(N)=O)[C@@H]2O[C@H](CO
    [P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H](
    [C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H]
    (O)[C@H]2O    		 NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT
    34428
    NAF
    DB03359
    ZINC000003873189    		 3 C11 H15 F3 N O2 InChI=1S/C11H15F3NO2/c1-1
    5(2,3)9-6-4-5-8(7-9)10(16
    ,17)11(12,13)14/h4-7,16-1
    7H,1-3H3/q+1;
    KGVDBJQLTHWAJF-UHFFFAOYSA-N    		 C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O; C[
    N+](C)(C)c1cccc(c1)C(O)(O)C(F)(F)F; FC(F
    )(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C    		 M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
    34429
    NAG
    CHEMBL447878
    ZINC000003983907    		 75 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6-,7
    -,8-/m1/s1;
    OVRNDRQMDRJTHS-FMDGEEDCSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1
    O)CO)O)O; CC(=O)N[CH]1[CH](O)O[CH](CO)[C
    H](O)[CH]1O; CC(=O)N[C@H]1[C@H](O)O[C@H]
    (CO)[C@@H](O)[C@@H]1O; O=C(NC1C(O)C(O)C(
    OC1O)CO)C; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-acetamido-2-deoxy-beta-D-glucopyranose;
    N-acetyl-beta-D-glucosamine;
    2-acetamido-2-deoxy-beta-D-glucose;
    2-acetamido-2-deoxy-D-glucose;
    2-acetamido-2-deoxy-glucose;
    N-ACETYL-D-GLUCOSAMINE
    34430
    NAH
    CHEMBL1234613
    DB14128    		 0 C21 H27 N7 O14 P2 InChI=1/C21H27N7O14P2/c22
    -17-12-19(25-7-24-17)28(8
    -26-12)21-16(32)14(30)11(
    41-21)6-39-44(36,37)42-43
    (34,35)38-5-10-13(29)15(3
    1)20(40-10)27-3-1-2-9(4-2
    7)18(23)33/h1-4,7-8,10-11
    ,13-16,20-21,29-32H,5-6H2
    ,(H5-,22,23,24,25,33,34,3
    5,36,37)/t10-,11-,13-,14-
    ,15-,16-,20-,21-/m1/s1/f/
    h36H,22-23H2;
    BAWFJGJZGIEFAR-GLKVDMMMDQ    		 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([
    O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H]
    (O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C
    @H]2O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(
    [O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5
    N)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1)[CH
    ]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]
    3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[C
    H](O)[CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H](
    [C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](
    =O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)O)O)O)C(=O)N    		 NICOTINAMIDE-ADENINE-DINUCLEOTIDE
    34431
    NAI
    CHEMBL1234616
    DB00157
    ZINC000008215403    		 1315 C21 H29 N7 O14 P2 InChI=1S/C21H29N7O14P2/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(32)14(30)11
    (41-21)6-39-44(36,37)42-4
    3(34,35)38-5-10-13(29)15(
    31)20(40-10)27-3-1-2-9(4-
    27)18(23)33/h1,3-4,7-8,10
    -11,13-16,20-21,29-32H,2,
    5-6H2,(H2,23,33)(H,34,35)
    (H,36,37)(H2,22,24,25)/t1
    0-,11-,13-,14-,15-,16-,20
    -,21-/m1/s1;
    BOPGDPNILDQYTO-NNYOXOHSSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)
    O)O)O)O)N; NC(=O)C1=CN(C=CC1)[C@@H]2O[C@
    H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C
    @H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C
    @@H](O)[C@H]2O; c1nc(c2c(n1)n(cn2)[C@H]3
    [C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@
    @](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)
    N5C=CCC(=C5)C(=O)N)O)O)O)O)N; NC(=O)C1=C
    N(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=
    O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)n
    cnc45)[CH](O)[CH]2O    		 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE;
    NADH
    34432
    NAJ
    CHEMBL1234613
    DB14128    		 96 C21 H27 N7 O14 P2 InChI=1S/C21H27N7O14P2/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(32)14(30)11
    (41-21)6-39-44(36,37)42-4
    3(34,35)38-5-10-13(29)15(
    31)20(40-10)27-3-1-2-9(4-
    27)18(23)33/h1-4,7-8,10-1
    1,13-16,20-21,29-32H,5-6H
    2,(H5-,22,23,24,25,33,34,
    35,36,37)/t10-,11-,13-,14
    -,15-,16-,20-,21-/m1/s1;
    BAWFJGJZGIEFAR-NNYOXOHSSA-N    		 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)([O-])OCC3C(C(C(O3)n4cnc5c4nc[nH+]c5
    N)O)O)O)O)C(=O)N; c1cc(c[n+](c1)[C@H]2[C
    @@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)
    ([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4nc[nH+]c5N)O)O)O)O)C(=O)N; NC(=O)c1
    ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)
    O[P]([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@
    @H]3O)n4cnc5c(N)[nH+]cnc45)[C@@H](O)[C@H
    ]2O; NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]
    ([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH
    ](O)[CH]3O)n4cnc5c(N)[nH+]cnc45)[CH](O)[
    CH]2O    		 NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
    34433
    NAK
    DB04212    		 4 C3 H5 N O2 InChI=1S/C3H5NO2/c1-2(4)3
    (5)6/h4H,1H3,(H,5,6);
    DUAWRLXHCUAWMK-UHFFFAOYSA-N    		 CC(=[NH2+])C(=O)[O-]; CC(=[NH2+])C([O-])
    =O; [O-]C(=O)\C(=[NH2+])C    		 AMINO-ACRYLATE;
    2-IMINIOPROPANOATE
    34434
    NAL
    CHEMBL1234619
    DB01766
    ZINC000000128256    		 2 C13 H13 N O2 InChI=1S/C13H13NO2/c14-12
    (13(15)16)8-9-5-6-10-3-1-
    2-4-11(10)7-9/h1-7,12H,8,
    14H2,(H,15,16)/t12-/m0/s1;
    JPZXHKDZASGCLU-LBPRGKRZSA-N    		 O=C(O)C(N)Cc2ccc1c(cccc1)c2; c1ccc2cc(cc
    c2c1)C[C@@H](C(=O)O)N; N[C@@H](Cc1ccc2cc
    ccc2c1)C(O)=O; c1ccc2cc(ccc2c1)CC(C(=O)O
    )N; N[CH](Cc1ccc2ccccc2c1)C(O)=O    		 BETA-(2-NAPHTHYL)-ALANINE
    34435
    NAM
    DB08253    		 0 C13 H14 N2 O InChI=1S/C13H14N2O/c14-12
    (13(15)16)8-10-6-3-5-9-4-
    1-2-7-11(9)10/h1-7,12H,8,
    14H2,(H2,15,16)/t12-/m0/s
    1;
    DGFMSNJYBBNHCX-LBPRGKRZSA-N    		 N[C@@H](Cc1cccc2ccccc12)C(N)=O; N[CH](Cc
    1cccc2ccccc12)C(N)=O; c1ccc2c(c1)cccc2CC
    (C(=O)N)N; c1ccc2c(c1)cccc2C[C@@H](C(=O)
    N)N; O=C(N)C(N)Cc2cccc1ccccc12    		 NAM NAPTHYLAMINOALANINE
    34436
    NAN
    CHEMBL1234621
    DB03721    		 0 C11 H19 N O9 InChI=1/C11H19NO9/c1-4(14
    )12-7-5(15)2-11(20,10(18)
    19)21-9(7)8(17)6(16)3-13/
    h5-9,13,15-17,20H,2-3H2,1
    H3,(H,12,14)(H,18,19)/t5-
    ,6+,7+,8+,9+,11+/m0/s1/f/
    h12,18H;
    SQVRNKJHWKZAKO-LQVDXEQVDP    		 CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)
    [CH](O)CO)C(O)=O; CC(=O)NC1C(CC(OC1C(C(C
    O)O)O)(C(=O)O)O)O; CC(=O)N[C@@H]1[C@H](C
    [C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)
    O)O)O; O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)
    C)C(O)C1; CC(=O)N[C@@H]1[C@@H](O)C[C@@](
    O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O    		 5-N-ACETYL-ALPHA-D-NEURAMINIC ACID
    34437
    NAO    		 0 H2 Na O InChI=1/Na.H2O/h;1H2/rH2N
    aO/c1-2/h2H2;
    NASFKTWZWDYFER-YMMUHFJBAE    		 [OH2-][Na+] SODIUM ION, 1 WATER COORDINATED
    34438
    NAP
    CHEMBL295069
    DB03461    		 4655 C21 H28 N7 O17 P3 InChI=1S/C21H28N7O17P3/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(44-46(33,34
    )35)14(30)11(43-21)6-41-4
    8(38,39)45-47(36,37)40-5-
    10-13(29)15(31)20(42-10)2
    7-3-1-2-9(4-27)18(23)32/h
    1-4,7-8,10-11,13-16,20-21
    ,29-31H,5-6H2,(H7-,22,23,
    24,25,32,33,34,35,36,37,3
    8,39)/t10-,11-,13-,14-,15
    -,16-,20-,21-/m1/s1;
    XJLXINKUBYWONI-NNYOXOHSSA-N    		 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O
    )(O)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1)[
    CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[C
    H]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5
    c(N)ncnc45)[CH](O)[CH]2O; NC(=O)c1ccc[n+
    ](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@]
    (O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O
    )[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H
    ]2O; c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([
    C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[
    C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc
    5N)OP(=O)(O)O)O)O)O)C(=O)N    		 NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
    2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
    34439
    NAQ
    DB04421    		 2 C26 H35 N7 O15 P2 InChI=1S/C26H35N7O15P2/c1
    -3-14(34)11(2)12-4-5-32(6
    -13(12)23(28)39)25-20(37)
    18(35)15(46-25)7-44-49(40
    ,41)48-50(42,43)45-8-16-1
    9(36)21(38)26(47-16)33-10
    -31-17-22(27)29-9-30-24(1
    7)33/h4-6,9-11,15-16,18-2
    1,25-26,35-38H,3,7-8H2,1-
    2H3,(H5-,27,28,29,30,39,4
    0,41,42,43)/t11-,15+,16+,
    18+,19+,20+,21+,25+,26+/m
    0/s1;
    BZJFKYRGSZWSLT-YLIVDTKOSA-N    		 CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H]
    2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-]
    )O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H
    ](O3)n4cnc5c4ncnc5N)O)O)O)O; CCC(=O)[CH]
    (C)c1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P]([
    O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[
    CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; CC
    C(=O)C(C)c1cc[n+](cc1C(=O)N)C2C(C(C(O2)C
    OP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5
    c4ncnc5N)O)O)O)O; CCC(=O)[C@@H](C)c1cc[n
    +](cc1C(N)=O)[C@@H]2O[C@H](CO[P]([O-])(=
    O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@
    @H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O    		 NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT
    34440
    NAR
    CHEMBL9352
    DB03467
    ZINC000000156701    		 53 C15 H12 O5 InChI=1S/C15H12O5/c16-9-3
    -1-8(2-4-9)13-7-12(19)15-
    11(18)5-10(17)6-14(15)20-
    13/h1-6,13,16-18H,7H2/t13
    -/m0/s1;
    FTVWIRXFELQLPI-ZDUSSCGKSA-N    		 c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O; Oc1
    ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2; c1c
    c(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O; O
    =C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3O; Oc1c
    cc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2    		 NARINGENIN
    34441
    NAS
    CHEMBL1234624
    DB08254
    ZINC000001554037    		 0 C10 H8 O3 S InChI=1S/C10H8O3S/c11-14(
    12,13)10-6-5-8-3-1-2-4-9(
    8)7-10/h1-7H,(H,11,12,13);
    KVBGVZZKJNLNJU-UHFFFAOYSA-N    		 c1ccc2cc(ccc2c1)S(=O)(=O)O; O=S(=O)(O)c2
    ccc1c(cccc1)c2; O[S](=O)(=O)c1ccc2ccccc2
    c1    		 2-NAPHTHALENESULFONIC ACID
    34442
    NAT
    CHEMBL254432
    DB04331
    ZINC000004425506    		 4 C14 H16 N2 O3 S InChI=1S/C14H16N2O3S/c1-3
    -19-13(18)11-8(2)15-14(20
    )16-12(11)9-5-4-6-10(17)7
    -9/h4-7,12,17H,3H2,1-2H3,
    (H2,15,16,20)/t12-/m0/s1;
    LOBCDGHHHHGHFA-LBPRGKRZSA-N    		 CCOC(=O)C1=C(C)NC(=S)N[CH]1c2cccc(O)c2;
    CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C;
    CCOC(=O)C1=C(NC(=S)NC1c2cccc(c2)O)C; CC
    OC(=O)C1=C(C)NC(=S)N[C@H]1c2cccc(O)c2; S
    =C2NC(c1cc(O)ccc1)C(=C(N2)C)C(=O)OCC    		 ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE;
    MONASTROL
    34443
    NAU
    ZINC000033769327    		 1 C11 H21 N O9 InChI=1S/C11H21NO9/c1-5(1
    4)12-10(9(19)8(18)6(15)4-
    13)11(20,21)3-2-7(16)17/h
    6,8-10,13,15,18-21H,2-4H2
    ,1H3,(H,12,14)(H,16,17)/t
    6-,8-,9+,10+/m1/s1;
    LNLFFPBOMACCNX-PRQTWWFRSA-N    		 CC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)C
    O)C(O)(O)CCC(O)=O; CC(=O)N[C@@H]([C@H]([
    C@@H]([C@@H](CO)O)O)O)C(CCC(=O)O)(O)O; C
    C(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)(
    O)CCC(O)=O; O=C(NC(C(O)(O)CCC(=O)O)C(O)C
    (O)C(O)CO)C; CC(=O)NC(C(C(C(CO)O)O)O)C(C
    CC(=O)O)(O)O    		 4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACID
    34444
    NAV
    ZINC000033769331    		 1 C11 H19 N O8 InChI=1S/C11H19NO8/c1-5(1
    4)12-9(6(15)2-3-8(17)18)1
    1(20)10(19)7(16)4-13/h7,9
    -11,13,16,19-20H,2-4H2,1H
    3,(H,12,14)(H,17,18)/t7-,
    9-,10-,11-/m1/s1;
    IZVFSUJQAOHESA-QCNRFFRDSA-N    		 CC(=O)NC(C(C(C(CO)O)O)O)C(=O)CCC(=O)O; C
    C(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO
    )C(=O)CCC(O)=O; CC(=O)N[C@@H]([C@H]([C@@
    H]([C@@H](CO)O)O)O)C(=O)CCC(=O)O; CC(=O)
    N[CH]([CH](O)[CH](O)[CH](O)CO)C(=O)CCC(O
    )=O; O=C(O)CCC(=O)C(NC(=O)C)C(O)C(O)C(O)
    CO    		 6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-4-OXONONANOIC ACID
    34445
    NAW    		 0 H6 Na O3 InChI=1/Na.3H2O/h;3*1H2/q
    -2;;;/rH6NaO3/c2-1(3)4/h2
    -4H2/q-2;
    VZLNGZPHSOIKER-BJIWCTOXAB    		 [OH2-][Na+]([OH2-])[OH2-] SODIUM ION, 3 WATERS COORDINATED
    34446
    NAX
    ZINC000008219662    		 8 C21 H31 N7 O15 P2 InChI=1S/C21H31N7O15P2/c2
    2-17-12-19(25-6-24-17)28(
    7-26-12)21-16(33)14(31)10
    (42-21)5-40-45(37,38)43-4
    4(35,36)39-4-9-13(30)15(3
    2)20(41-9)27-3-8(18(23)34
    )1-2-11(27)29/h3,6-7,9-11
    ,13-16,20-21,29-33H,1-2,4
    -5H2,(H2,23,34)(H,35,36)(
    H,37,38)(H2,22,24,25)/t9-
    ,10-,11+,13-,14-,15-,16-,
    20-,21-/m1/s1;
    IDBZKGQRLBFUFQ-VPHRTNKSSA-N    		 NC(=O)C1=CN([CH](O)CC1)[CH]2O[CH](CO[P](
    O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH
    ]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; NC(=
    O)C1=CN([C@@H](O)CC1)[C@@H]2O[C@H](CO[P@
    ](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H]
    (O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C
    @H]2O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(
    =O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=C(CCC5O)
    C(=O)N)O)O)O)O)N; c1nc(c2c(n1)n(cn2)[C@H
    ]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[
    P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4
    )N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N    		 BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
    34447
    NAY
    ZINC000002043009    		 2 C11 H19 N O8 InChI=1S/C11H19NO8/c1-5(1
    4)12-6(2-3-7(15)11(19)20)
    9(17)10(18)8(16)4-13/h6,8
    -10,13,16-18H,2-4H2,1H3,(
    H,12,14)(H,19,20)/t6-,8-,
    9-,10-/m1/s1;
    HWTGNSKUIIUDOU-PEBGCTIMSA-N    		 CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H](
    [C@@H](CO)O)O)O; CC(=O)N[C@H](CCC(=O)C(O
    )=O)[C@@H](O)[C@H](O)[C@H](O)CO; O=C(O)C
    (=O)CCC(NC(=O)C)C(O)C(O)C(O)CO; CC(=O)N[
    CH](CCC(=O)C(O)=O)[CH](O)[CH](O)[CH](O)C
    O; CC(=O)NC(CCC(=O)C(=O)O)C(C(C(CO)O)O)O    		 6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-2-OXONONANOIC ACID
    34448
    NAZ
    CHEMBL1234630
    ZINC000033922568    		 0 C24 H25 N7 O3 InChI=1S/C24H25N7O3/c1-15
    -2-3-16-5-8-19(30-23(16)2
    7-15)29-22(34)11-13-25-12
    -10-20(32)26-14-18-7-4-17
    -6-9-21(33)31-24(17)28-18
    /h2-9,25H,10-14H2,1H3,(H,
    26,32)(H,28,31,33)(H,27,2
    9,30,34);
    BWINWCKASXYPFA-UHFFFAOYSA-N    		 Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc
    4c(n3)NC(=O)C=C4; Cc1ccc2ccc(NC(=O)CCNCC
    C(=O)NCc3ccc4C=CC(=O)Nc4n3)nc2n1; O=C(Nc
    1nc2nc(ccc2cc1)C)CCNCCC(=O)NCc4nc3c(C=CC
    (=O)N3)cc4    		 N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET A-ALANINAMIDE;
    NAPHTYRIDINE-AZAQUINOLONE
    34449
    NB0
    ZINC000016527105    		 1 C20 H18 F N3 O2 InChI=1S/C20H18FN3O2/c21-
    16-6-2-4-8-18(16)23-9-11-
    24(12-10-23)20(26)15-13-1
    9(25)22-17-7-3-1-5-14(15)
    17/h1-8,13H,9-12H2,(H,22,
    25);
    ONQQLMKVMVPYKH-UHFFFAOYSA-N    		 Fc1ccccc1N2CCN(CC2)C(=O)C3=CC(=O)Nc4cccc
    c34; O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c
    1ccccc1F; c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3
    CCN(CC3)c4ccccc4F    		 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one
    34450
    NB1
    CHEMBL1213604
    DB08255
    ZINC000016052203    		 2 C10 H17 N O4 S InChI=1S/C10H17NO4S/c1-2-
    3-6-11-7-9(14)8(13)5(4-12
    )15-10(7)16-6/h5,7-10,12-
    14H,2-4H2,1H3/t5-,7-,8-,9
    -,10-/m1/s1;
    QWOPEBCGKASVQP-QXOHVQIXSA-N    		 CCCC1=NC2C(C(C(OC2S1)CO)O)O; CCCC1=N[C@@
    H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O;
    CCCC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](C
    O)O[C@@H]2S1; N1=C(SC2OC(C(O)C(O)C12)CO)
    CCC; CCCC1=N[CH]2[CH](O)[CH](O)[CH](CO)O
    [CH]2S1    		 (3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL
    34451
    NB2    		 1 C33 H56 N6 O6 S InChI=1S/C33H56N6O6S/c1-3
    0(2,3)25(37-29(43)38-33(1
    3-10-9-11-14-33)19-46(44,
    45)31(4,5)6)28(42)39-18-2
    2-23(32(22,7)8)24(39)27(4
    1)36-21(17-34)16-20-12-15
    -35-26(20)40/h17,20-25,34
    H,9-16,18-19H2,1-8H3,(H,3
    5,40)(H,36,41)(H2,37,38,4
    3)/b34-17-/t20-,21-,22-,2
    3-,24-,25+/m0/s1;
    RXHKWDZUWDFTBO-TWNGUQAKSA-N    		 CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3
    (CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC4CC
    NC4=O)C=N)C; CC1(C)C2C(C(=O)NC(C=N)CC3CC
    NC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)
    C(C)(C)C)CCCCC1)C(C)(C)C; CC(C)(C)[CH](N
    C(=O)NC1(CCCCC1)C[S](=O)(=O)C(C)(C)C)C(=
    O)N2C[CH]3[CH]([CH]2C(=O)N[CH](C[CH]4CCN
    C4=O)C=N)C3(C)C; [H]/N=C\[C@H](C[C@@H]1C
    CNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C
    )CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4
    )CS(=O)(=O)C(C)(C)C; CC(C)(C)[C@H](NC(=O
    )NC1(CCCCC1)C[S](=O)(=O)C(C)(C)C)C(=O)N2
    C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](C[C@@H]
    4CCNC4=O)C=N)C3(C)C    		 (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    34452
    NB3    		 1 C12 H15 N3 O InChI=1S/C12H15N3O/c1-3-1
    2(16)13-8-10-9-6-4-5-7-11
    (9)15(2)14-10/h4-7H,3,8H2
    ,1-2H3,(H,13,16);
    DEHXEHSVIKWPOQ-UHFFFAOYSA-N    		 CCC(=O)NCc1c2ccccc2n(n1)C; CCC(=O)NCc1nn
    (C)c2ccccc12    		 ~{N}-[(1-methylindazol-3-yl)methyl]propanamide;
    N-[(1-methylindazol-3-yl)methyl]prop-2-enamide (precursor)
    34453
    NB4    		 1 C22 H36 F N7 O4 InChI=1S/C22H36FN7O4/c1-1
    5-24-20(19(23)21(25-15)29
    -7-6-28-8-9-34-13-18(28)1
    2-29)26-27-22(32)17(11-30
    (33)14-31)10-16-4-2-3-5-1
    6/h16-18,31,33H,2-14H2,1H
    3,(H,27,32)(H,24,25,26)/t
    17-,18+/m1/s1;
    ZUQCOBLJLUYLKK-MSOLQXFVSA-N    		 Cc1nc(c(c(n1)N2CCN3CCOCC3C2)F)NNC(=O)C(C
    C4CCCC4)CN(CO)O; Cc1nc(NNC(=O)[CH](CC2CC
    CC2)CN(O)CO)c(F)c(n1)N3CCN4CCOC[CH]4C3;
    C(C1CCCC1)C(C(NNc2nc(C)nc(c2F)N4CCN3CCOC
    C3C4)=O)CN(CO)O; Cc1nc(c(c(n1)N2CCN3CCOC
    [C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(CO)
    O; Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)CO)c
    (F)c(n1)N3CCN4CCOC[C@@H]4C3    		 (2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide
    34454
    NB5
    CHEMBL5270903    		 2 C26 H28 F N9 O InChI=1S/C26H28FN9O/c1-15
    -28-9-16(10-29-15)21-19(2
    7)6-20-22(33-21)23(37-25(
    2)4-5-25)34-24(32-20)31-1
    7-11-30-36(12-17)18-7-26(
    8-18)13-35(3)14-26/h6,9-1
    2,18H,4-5,7-8,13-14H2,1-3
    H3,(H,31,32,34);
    XGNWCJAZTBIOLY-UHFFFAOYSA-N    		 Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4
    )C5CC6(C5)CN(C6)C)OC7(CC7)C)F; CN1CC2(CC
    (C2)n3cc(Nc4nc(OC5(C)CC5)c6nc(c(F)cc6n4)
    c7cnc(C)nc7)cn3)C1    		 7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
    34455
    NB6    		 1 C14 H13 Br N2 O InChI=1S/C14H13BrN2O/c1-1
    0-5-6-16-9-13(10)17-14(18
    )8-11-3-2-4-12(15)7-11/h2
    -7,9H,8H2,1H3,(H,17,18);
    ZTLMWKAKNVXEJW-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)Br; Cc1ccncc1N
    C(=O)Cc2cccc(Br)c2; O=C(Nc1cnccc1C)Cc1cc
    cc(Br)c1    		 2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide
    34456
    NB7
    CHEMBL4530847
    ZINC000009513173    		 1 C13 H11 F N2 O3 S InChI=1S/C13H11FN2O3S/c14
    -11-8-4-5-9-12(11)20(18,1
    9)16-15-13(17)10-6-2-1-3-
    7-10/h1-9,16H,(H,15,17);
    DNZDKRQQOYZLNO-UHFFFAOYSA-N    		 Fc1ccccc1[S](=O)(=O)NNC(=O)c2ccccc2; c1(
    ccccc1S(NNC(c2ccccc2)=O)(=O)=O)F; c1ccc(
    cc1)C(=O)NNS(=O)(=O)c2ccccc2F    		 N'-[(2-fluorophenyl)sulfonyl]benzohydrazide
    34457
    NB8
    ZINC000058650246    		 1 C14 H20 N7 O10 P InChI=1S/C14H20N7O10P/c15
    -5(1-7(22)20-26)14(25)31-
    32(27,28)29-2-6-9(23)10(2
    4)13(30-6)21-4-19-8-11(16
    )17-3-18-12(8)21/h3-6,9-1
    0,13,23-24,26H,1-2,15H2,(
    H,20,22)(H,27,28)(H2,16,1
    7,18)/t5-,6+,9+,10+,13+/m
    0/s1;
    LNQDDLRGTAFRLA-VWJPMABRSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N
    O)N)O)O)N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)
    COP(=O)(O)OC(=O)C(CC(=O)NO)N)O)O)N; O=C(
    NO)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncn
    c12)N)C(O)C3O; N[CH](CC(=O)NO)C(=O)O[P](
    O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c
    (N)ncnc23; N[C@@H](CC(=O)NO)C(=O)O[P](O)
    (=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cn
    c3c(N)ncnc23    		 5'-O-[(R)-{[(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
    34458
    NB9
    CHEMBL108111
    DB20451    		 8 C24 H28 N4 O6 InChI=1S/C24H28N4O6/c25-2
    2(26)16-3-5-17(6-4-16)23(
    32)27-20(13-15-1-7-18(29)
    8-2-15)24(33)28-11-9-19(1
    0-12-28)34-14-21(30)31/h1
    -8,19-20,29H,9-14H2,(H3,2
    5,26)(H,27,32)(H,30,31)/t
    20-/m0/s1;
    FPKOGTAFKSLZLD-FQEVSTJZSA-N    		 [H]/N=C(\c1ccc(cc1)C(=O)N[C@@H](Cc2ccc(c
    c2)O)C(=O)N3CCC(CC3)OCC(=O)O)/N; O=C(C(C
    c1ccc(O)cc1)NC(=O)c1ccc(cc1)C(=N)N)N1CCC
    (OCC(=O)O)CC1; NC(=N)c1ccc(cc1)C(=O)N[C@
    @H](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)OCC(O)=O
    ; c1cc(ccc1CC(C(=O)N2CCC(CC2)OCC(=O)O)NC
    (=O)c3ccc(cc3)C(=N)N)O; NC(=N)c1ccc(cc1)
    C(=O)N[CH](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)O
    CC(O)=O    		 Lamifiban;
    ({1-[N-(4-carbamimidoylbenzoyl)-L-tyrosyl]piperidin-4-yl}oxy)acetic acid
    34459
    NBA
    ZINC000033769333    		 6 C10 H25 N3 O2 InChI=1S/C10H25N3O2/c1-11
    -5-2-6-12-7-3-8-13-9-4-10
    (14)15/h10-15H,2-9H2,1H3;
    PTLIEDFKZYQZEI-UHFFFAOYSA-N    		 CNCCCNCCCNCCC(O)O; OC(O)CCNCCCNCCCNC 3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-1,1-DIOL
    34460
    NBB
    CHEMBL479880
    DB02055
    ZINC000001666831    		 18 C10 H15 N O2 S InChI=1S/C10H15NO2S/c1-2-
    3-9-11-14(12,13)10-7-5-4-
    6-8-10/h4-8,11H,2-3,9H2,1
    H3;
    IPRJXAGUEGOFGG-UHFFFAOYSA-N    		 CCCCNS(=O)(=O)c1ccccc1; CCCCN[S](=O)(=O)
    c1ccccc1; O=S(=O)(NCCCC)c1ccccc1    		 N-BUTYL-BENZENESULFONAMIDE
    34461
    NBC
    DB03245
    ZINC000195757740    		 1 C25 H41 N8 O19 P3 S InChI=1S/C25H41N8O19P3S/c
    1-25(2,20(37)23(38)28-6-5
    -15(34)27-7-9-56-16(35)4-
    3-8-33(39)40)11-49-55(46,
    47)52-54(44,45)48-10-14-1
    9(51-53(41,42)43)18(36)24
    (50-14)32-13-31-17-21(26)
    29-12-30-22(17)32/h12-14,
    18-20,24,36-37H,3-11H2,1-
    2H3,(H,27,34)(H,28,38)(H,
    44,45)(H,46,47)(H2,26,29,
    30)(H2,41,42,43)/t14-,18-
    ,19-,20+,24-/m1/s1;
    PXNIOQHGCSEKCC-CITAKDKDSA-N    		 CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]
    1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)
    OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C
    CC[N+](=O)[O-])O; CC(C)(CO[P@@](O)(=O)O[
    P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1
    O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C
    (=O)NCCC(=O)NCCSC(=O)CCC[N+]([O-])=O; CC
    (C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](
    [CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc2
    3)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+]([
    O-])=O; CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C
    (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O
    )NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-])O; [O-
    ][N+](=O)CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(
    C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(n
    cnc12)N)C(O)C3OP(=O)(O)O    		 S-4-NITROBUTYRYL-COA
    34462
    NBD    		 4 C28 H33 N7 O14 P2 InChI=1S/C28H33N7O14P2/c2
    9-24(40)16-7-4-8-34(10-16
    )27-22(38)20(36)17(47-27)
    11-45-50(41,42)49-51(43,4
    4)46-12-18-21(37)23(39)28
    (48-18)35-14-33-19-25(31-
    13-32-26(19)35)30-9-15-5-
    2-1-3-6-15/h1-8,10,13-14,
    17-18,20-23,27-28,36-39H,
    9,11-12H2,(H4-,29,30,31,3
    2,40,41,42,43,44)/t17-,18
    -,20-,21-,22-,23-,27-,28-
    /m1/s1;
    PDNSIRRMIDXSBH-INGGVVRRSA-N    		 c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H
    ]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)
    ([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)[n+
    ]6cccc(c6)C(=O)N)O)O)O)O; c1ccc(cc1)CNc2
    c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)OP(=
    O)([O-])OCC5C(C(C(O5)[n+]6cccc(c6)C(=O)N
    )O)O)O)O; NC(=O)c1ccc[n+](c1)[C@@H]2O[C@
    H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[
    C@H]([C@H](O)[C@@H]3O)n4cnc5c(NCc6ccccc6
    )ncnc45)[C@@H](O)[C@H]2O; NC(=O)c1ccc[n+
    ](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=
    O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(NCc
    6ccccc6)ncnc45)[CH](O)[CH]2O    		 N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE
    34463
    NBE
    CHEMBL98797
    ZINC000004097291    		 12 C6 H5 N O InChI=1S/C6H5NO/c8-7-6-4-
    2-1-3-5-6/h1-5H;
    NLRKCXQQSUWLCH-UHFFFAOYSA-N    		 O=Nc1ccccc1; c1ccc(cc1)N=O NITROSOBENZENE
    34464
    NBF
    CHEMBL1234635
    DB02841
    ZINC000169748477    		 3 C14 H16 B N O4 InChI=1S/C14H16BNO4/c1-2-
    20-12-8-7-10-5-3-4-6-11(1
    0)13(12)14(17)16-9-15(18)
    19/h3-8,18-19H,2,9H2,1H3,
    (H,16,17);
    VGXJNGVFESCMME-UHFFFAOYSA-N    		 CCOc1ccc2ccccc2c1C(=O)NCB(O)O; B(CNC(=O)
    c1c2ccccc2ccc1OCC)(O)O; O=C(c1c2c(ccc1OC
    C)cccc2)NCB(O)O    		 [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID
    34465
    NBG
    CHEMBL335315
    DB02320    		 34 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-8-7(14)6(13)5(12)4(2-1
    0)15-8/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6+,7
    -,8-/m1/s1;
    IBONACLSSOLHFU-JAJWTYFOSA-N    		 CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O
    1)CO)O)O)O; CC(=O)N[CH]1O[CH](CO)[CH](O)
    [CH](O)[CH]1O; CC(=O)N[C@@H]1O[C@H](CO)[
    C@@H](O)[C@H](O)[C@H]1O; O=C(NC1OC(C(O)C
    (O)C1O)CO)C; CC(=O)NC1C(C(C(C(O1)CO)O)O)
    O    		 N-acetyl-beta-D-glucopyranosylamine;
    1-N-ACETYL-BETA-D-GLUCOSAMINE;
    N-acetyl-beta-D-glucosylamine;
    N-acetyl-D-glucosylamine;
    N-acetyl-glucosylamine
    34466
    NBH
    CHEMBL3109325
    ZINC000095921228    		 2 C27 H32 N2 O3 S InChI=1S/C27H32N2O3S/c1-3
    -18-29(20-23-8-6-5-7-9-23
    )21-24-10-14-25(15-11-24)
    28-27(30)19-22-12-16-26(1
    7-13-22)33(31,32)4-2/h5-1
    7H,3-4,18-21H2,1-2H3,(H,2
    8,30);
    PWRYHBNVYOIZJC-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(cc1)CC(=O)Nc2ccc(cc2)CN(Cc
    3ccccc3)CCC)CC; CCCN(Cc1ccccc1)Cc2ccc(cc
    2)NC(=O)Cc3ccc(cc3)S(=O)(=O)CC; CCCN(Cc1
    ccccc1)Cc2ccc(NC(=O)Cc3ccc(cc3)[S](=O)(=
    O)CC)cc2    		 N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide
    34467
    NBI
    CHEMBL1615112
    ZINC000000121139    		 2 C13 H10 N2 O3 InChI=1S/C13H10N2O3/c16-1
    3(14-10-6-2-1-3-7-10)11-8
    -4-5-9-12(11)15(17)18/h1-
    9H,(H,14,16);
    RNFCQIOHQPIUOI-UHFFFAOYSA-N    		 c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]; [O
    -][N+](=O)c1ccccc1C(=O)Nc2ccccc2    		 2-nitro-N-phenylbenzamide
    34468
    NBJ
    CHEMBL4464519    		 1 C13 H10 F I N2 O3 S InChI=1S/C13H10FIN2O3S/c1
    4-11-6-1-2-7-12(11)21(19,
    20)17-16-13(18)9-4-3-5-10
    (15)8-9/h1-8,17H,(H,16,18
    );
    WRILZXKUOHKYFI-UHFFFAOYSA-N    		 c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I
    ; C(c1cc(I)ccc1)(NNS(c2c(cccc2)F)(=O)=O)
    =O; Fc1ccccc1[S](=O)(=O)NNC(=O)c2cccc(I)
    c2    		 N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
    34469
    NBK
    CHEMBL5288931    		 2 C25 H28 F N9 O InChI=1S/C25H28FN9O/c1-15
    -27-11-16(12-28-15)21-19(
    26)10-20-22(32-21)23(36-2
    5(2)6-7-25)33-24(31-20)30
    -17-13-29-35(14-17)18-4-8
    -34(3)9-5-18/h10-14,18H,4
    -9H2,1-3H3,(H,30,31,33);
    SZURKEABSBIIMJ-UHFFFAOYSA-N    		 CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(c(F
    )cc5n3)c6cnc(C)nc6)cn2; Cc1ncc(cn1)c2c(c
    c3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6
    (CC6)C)F    		 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
    34470
    NBL
    DB03456
    ZINC000012503669    		 1 C19 H26 N4 O3 InChI=1S/C19H26N4O3/c1-14
    (2)10-17(18(24)21-16-8-9-
    23(11-16)13-20)22-19(25)2
    6-12-15-6-4-3-5-7-15/h3-7
    ,14,16-17H,8-12H2,1-2H3,(
    H,21,24)(H,22,25)/t16-,17
    +/m1/s1;
    IMTUSTXBVIALBC-SJORKVTESA-N    		 N#CN2CCC(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C
    )C2; CC(C)CC(C(=O)NC1CCN(C1)C#N)NC(=O)OC
    c2ccccc2; CC(C)C[C@@H](C(=O)N[C@@H]1CCN(
    C1)C#N)NC(=O)OCc2ccccc2; CC(C)C[C@H](NC(
    =O)OCc1ccccc1)C(=O)N[C@@H]2CCN(C2)C#N; C
    C(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH]2CC
    N(C2)C#N    		 N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
    34471
    NBM
    CHEMBL418509
    ZINC000002097863    		 2 C17 H17 N5 O6 S InChI=1S/C17H17N5O6S/c23-
    5-11-13(24)14(25)17(28-11
    )21-8-20-12-15(21)18-7-19
    -16(12)29-6-9-1-3-10(4-2-
    9)22(26)27/h1-4,7-8,11,13
    -14,17,23-25H,5-6H2/t11-,
    13-,14-,17-/m1/s1;
    DYCJFJRCWPVDHY-LSCFUAHRSA-N    		 OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(SCc4c
    cc(cc4)[N+]([O-])=O)ncnc23; c1cc(ccc1CSc
    2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O)[N+](=
    O)[O-]; c1cc([N+](=O)[O-])ccc1CSc2ncnc3c
    2ncn3C4C(O)C(C(CO)O4)O; OC[C@H]1O[C@H]([
    C@H](O)[C@@H]1O)n2cnc3c(SCc4ccc(cc4)[N+]
    ([O-])=O)ncnc23; c1cc(ccc1CSc2c3c(ncn2)n
    (cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
    )[N+](=O)[O-]    		 6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine
    34472
    NBN
    DB01826
    ZINC000053683318    		 3 C5 H9 N InChI=1S/C5H9N/c1-3-4-5-6
    -2/h3-5H2,1H3;
    FSBLVBBRXSCOKU-UHFFFAOYSA-N    		 CCCC[N+]#[C-]; isocyanide N-BUTYL ISOCYANIDE
    34473
    NBO
    CHEMBL1070
    DB00461
    ZINC000000020221    		 3 C15 H16 O2 InChI=1S/C15H16O2/c1-11(1
    6)3-4-12-5-6-14-10-15(17-
    2)8-7-13(14)9-12/h5-10H,3
    -4H2,1-2H3;
    BLXXJMDCKKHMKV-UHFFFAOYSA-N    		 O=C(C)CCc1ccc2c(c1)ccc(OC)c2; CC(=O)CCc1
    ccc2cc(ccc2c1)OC; COc1ccc2cc(CCC(C)=O)cc
    c2c1    		 nabumetone;
    4-(6-methoxynaphthalen-2-yl)butan-2-one
    34474
    NBP
    DB03962    		 1 C21 H27 Br N7 O17 P3 InChI=1S/C21H27BrN7O17P3/
    c22-21-27-11-16(23)25-7-2
    6-18(11)29(21)20-15(45-47
    (34,35)36)13(31)10(44-20)
    6-42-49(39,40)46-48(37,38
    )41-5-9-12(30)14(32)19(43
    -9)28-3-1-2-8(4-28)17(24)
    33/h1-4,7,9-10,12-15,19-2
    0,30-32H,5-6H2,(H7-,23,24
    ,25,26,33,34,35,36,37,38,
    39,40)/t9-,10-,12-,13-,14
    -,15-,19-,20-/m1/s1;
    MDKMTCCUJSRQGW-NAJQWHGHSA-N    		 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](
    O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H
    ]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)n
    c4Br)OP(=O)(O)O)O)O)O)C(=O)N; NC(=O)c1cc
    c[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](
    O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH
    ]3O)n4c(Br)nc5c(N)ncnc45)[CH](O)[CH]2O;
    c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)(O)OCC3C(C(C(O3)n4c5c(c(ncn5)N)nc4Br
    )OP(=O)(O)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+
    ](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](
    O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)
    [C@@H]3O)n4c(Br)nc5c(N)ncnc45)[C@@H](O)[
    C@H]2O    		 NICOTINAMIDE 8-BROMO-ADENINE DINUCLEOTIDE PHOSPHATE
    34475
    NBQ
    DB02511
    ZINC000012502206    		 0 C23 H22 N2 O6 InChI=1S/C23H22N2O6/c24-1
    9(23(29)30)10-16-11-20(22
    (28)12-21(16)27)25-17(7-8
    -26)13-31-18-6-5-14-3-1-2
    -4-15(14)9-18/h1-9,11-12,
    19,25,27-28H,10,13,24H2,(
    H,29,30)/b17-7+/t19-/m0/s
    1;
    PZWMZAFFUAWVDN-CQXYXCHQSA-N    		 N[CH](Cc1cc(NC(COc2ccc3ccccc3c2)=CC=O)c(
    O)cc1O)C(O)=O; N[C@@H](Cc1cc(N\C(COc2ccc
    3ccccc3c2)=C\C=O)c(O)cc1O)C(O)=O; O=C(O)
    C(N)Cc3c(O)cc(O)c(N\C(=C\C=O)COc2cc1cccc
    c1cc2)c3; c1ccc2cc(ccc2c1)OCC(=CC=O)Nc3c
    c(c(cc3O)O)CC(C(=O)O)N; c1ccc2cc(ccc2c1)
    OC/C(=C\C=O)/Nc3cc(c(cc3O)O)C[C@@H](C(=O
    )O)N    		 2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
    34476
    NBR
    CHEMBL4302556    		 1 C30 H36 N4 O2 InChI=1S/C30H36N4O2/c1-31
    (2)27-13-17-33(18-14-27)2
    3-25-5-9-29(10-6-25)35-21
    -22-36-30-11-7-26(8-12-30
    )24-34-19-15-28(16-20-34)
    32(3)4/h5-20H,21-24H2,1-4
    H3/q+2;
    SBSYTSUJNSFXCL-UHFFFAOYSA-N    		 CN(C)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc
    (cc4)N(C)C)cc3)cc2)cc1; CN(C)c1cc[n+](cc
    1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4
    )N(C)C    		 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine
    34477
    NBS
    CHEMBL1234640
    DB01893    		 1 C17 H21 N5 O10 P2 InChI=1S/C17H21N5O10P2/c2
    3-13-11(7-30-34(28,29)32-
    33(25,26)27)31-17(14(13)2
    4)22-9-21-12-15(19-8-20-1
    6(12)22)18-6-10-4-2-1-3-5
    -10/h1-5,8-9,11,13-14,17,
    23-24H,6-7H2,(H,28,29)(H,
    18,19,20)(H2,25,26,27)/t1
    1-,13-,14-,17-/m1/s1;
    MRHGMAGSDAQUFH-LSCFUAHRSA-N    		 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P]
    (O)(O)=O)n2cnc3c(NCc4ccccc4)ncnc23; c1cc
    c(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C
    @@H]([C@H](O4)CO[P@@](=O)(O)OP(=O)(O)O)O
    )O; O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncn
    c12)NCc3ccccc3)C(O)C4O; O[C@H]1[C@@H](O)
    [C@@H](O[C@@H]1CO[P@](O)(=O)O[P](O)(O)=O
    )n2cnc3c(NCc4ccccc4)ncnc23; c1ccc(cc1)CN
    c2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)OP
    (=O)(O)O)O)O    		 N6-BENZYL ADENOSINE-5'-DIPHOSPHATE
    34478
    NBT
    ZINC000002034490    		 4 C4 H9 N O2 InChI=1S/C4H9NO2/c1-3-4(2
    )5(6)7/h4H,3H2,1-2H3/t4-/
    m0/s1;
    SUGZATOHBPXTDV-BYPYZUCNSA-N    		 CCC(C)[N+](=O)[O-]; CC[C@H](C)[N+]([O-])
    =O; CC[C@H](C)[N+](=O)[O-]; [O-][N+](=O)
    C(C)CC; CC[CH](C)[N+]([O-])=O    		 (2S)-2-NITROBUTANE
    34479
    NBU
    CHEMBL134702
    DB03689
    ZINC000008214510    		 2 C4 H10 InChI=1S/C4H10/c1-3-4-2/h
    3-4H2,1-2H3;
    IJDNQMDRQITEOD-UHFFFAOYSA-N    		 CCCC N-BUTANE
    34480
    NBV
    CHEMBL1029
    DB00419
    ZINC000003794711    		 3 C10 H21 N O4 InChI=1S/C10H21NO4/c1-2-3
    -4-11-5-8(13)10(15)9(14)7
    (11)6-12/h7-10,12-15H,2-6
    H2,1H3/t7-,8+,9-,10-/m1/s
    1;
    UQRORFVVSGFNRO-UTINFBMNSA-N    		 CCCCN1CC(C(C(C1CO)O)O)O; CCCCN1C[CH](O)[
    CH](O)[CH](O)[CH]1CO; OCC1N(CCCC)CC(O)C(
    O)C1O; CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C
    @H]1CO)O)O)O; CCCCN1C[C@H](O)[C@@H](O)[C
    @H](O)[C@H]1CO    		 (2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL
    34481
    NBW
    CHEMBL5275280    		 4 C23 H30 N8 O2 InChI=1S/C23H30N8O2/c1-23
    (9-10-23)33-20-19-17(5-6-
    18(26-19)21(32)29(2)3)27-
    22(28-20)25-15-13-24-31(1
    4-15)16-7-11-30(4)12-8-16
    /h5-6,13-14,16H,7-12H2,1-
    4H3,(H,25,27,28);
    LBHMENCKRXLUJV-UHFFFAOYSA-N    		 CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)N
    c4cnn(c4)C5CCN(CC5)C; CN1CCC(CC1)n2cc(Nc
    3nc(OC4(C)CC4)c5nc(ccc5n3)C(=O)N(C)C)cn2    		 ~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide
    34482
    NBX
    CHEMBL556336
    ZINC000038965470    		 1 C14 H19 N3 O7 InChI=1S/C14H19N3O7/c15-7
    -3-1-6(2-4-7)12(22)16-14(
    23)17-13-11(21)10(20)9(19
    )8(5-18)24-13/h1-4,8-11,1
    3,18-21H,5,15H2,(H2,16,17
    ,22,23)/t8-,9-,10+,11-,13
    -/m1/s1;
    PVSVRIIRRQSFIR-BZNQNGANSA-N    		 Nc1ccc(cc1)C(=O)NC(=O)N[C@@H]2O[C@H](CO)
    [C@@H](O)[C@H](O)[C@H]2O; c1cc(ccc1C(=O)
    NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O
    2)CO)O)O)O)N; c1cc(ccc1C(=O)NC(=O)NC2C(C
    (C(C(O2)CO)O)O)O)N; Nc1ccc(cc1)C(=O)NC(=
    O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O; O
    =C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(N)cc
    2    		 N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine;
    N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine;
    N-{[(4-aminophenyl)carbonyl]carbamoyl}-D-glucosylamine;
    N-{[(4-aminophenyl)carbonyl]carbamoyl}-glucosylamine
    34483
    NBY
    CHEMBL554821
    ZINC000038965469    		 2 C14 H17 N3 O9 InChI=1S/C14H17N3O9/c18-5
    -8-9(19)10(20)11(21)13(26
    -8)16-14(23)15-12(22)6-1-
    3-7(4-2-6)17(24)25/h1-4,8
    -11,13,18-21H,5H2,(H2,15,
    16,22,23)/t8-,9-,10+,11-,
    13-/m1/s1;
    TXVZHPDFTXBTMX-BZNQNGANSA-N    		 c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H](
    [C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]; O
    C[CH]1O[CH](NC(=O)NC(=O)c2ccc(cc2)[N+]([
    O-])=O)[CH](O)[CH](O)[CH]1O; OC[C@H]1O[C
    @@H](NC(=O)NC(=O)c2ccc(cc2)[N+]([O-])=O)
    [C@H](O)[C@@H](O)[C@@H]1O; c1cc(ccc1C(=O
    )NC(=O)NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O
    -]; O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc
    ([N+]([O-])=O)cc2    		 N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine;
    N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine;
    N-{[(4-nitrophenyl)carbonyl]carbamoyl}-D-glucosylamine;
    N-{[(4-nitrophenyl)carbonyl]carbamoyl}-glucosylamine
    34484
    NBZ
    CHEMBL15750
    ZINC000000896426    		 9 C6 H5 N O2 InChI=1S/C6H5NO2/c8-7(9)6
    -4-2-1-3-5-6/h1-5H;
    LQNUZADURLCDLV-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccccc1; c1ccc(cc1)[N+](=O)
    [O-]    		 NITROBENZENE
    34485
    NC
    CHEMBL43280
    DB01828    		 0 C H5 N InChI=1/CH5N/c1-2/h2H2,1H
    3;
    BAVYZALUXZFZLV-UHFFFAOYAN    		 CN; NC METHYLAMINE GROUP
    34486
    NC0    		 5 C16 H14 N2 O3 InChI=1S/C16H14N2O3/c19-1
    5(20)12-6-2-3-7-13(12)17-
    16(21)18-10-9-11-5-1-4-8-
    14(11)18/h1-8H,9-10H2,(H,
    17,21)(H,19,20);
    SEVISWFLUIXPLQ-UHFFFAOYSA-N    		 OC(=O)c1ccccc1NC(=O)N2CCc3ccccc23; O=C(O
    )c1ccccc1NC(=O)N1CCc2ccccc21; c1ccc2c(c1
    )CCN2C(=O)Nc3ccccc3C(=O)O    		 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid
    34487
    NC1
    DB04041    		 0 C24 H21 N5 O11 S2 InChI=1S/C24H23N5O11S2/c2
    5-16(22(31)32)10-40-24(35
    )20(26-18(30)9-15-2-1-7-4
    1-15)21-27-19(23(33)34)13
    (11-42-21)4-3-12-5-6-14(2
    8(36)37)8-17(12)29(38)39/
    h1-8,16,20-21,27H,9-11,25
    H2,(H,26,30)(H,31,32)(H,3
    3,34)/p-2/b4-3+/t16-,20-,
    21+/m0/s1;
    GPHOELDACAWWAE-DEKCOHRESA-L    		 c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)
    \C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])
    C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N; N[C
    @@H](COC(=O)[C@@H](NC(=O)Cc1sccc1)[C@@H]
    2NC(=C(CS2)\C=C\c3ccc(cc3[N+]([O-])=O)[N
    +]([O-])=O)C([O-])=O)C([O-])=O; [O-]C(=O
    )C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2
    )C([O-])=O)\C=C\c3ccc([N+]([O-])=O)cc3[N
    +]([O-])=O; N[CH](COC(=O)[CH](NC(=O)Cc1s
    ccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-
    ])=O)[N+]([O-])=O)C([O-])=O)C([O-])=O; c
    1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=Cc3ccc(cc
    3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=
    O)OCC(C(=O)[O-])N    		 NITROCEFIN ACYL-SERINE
    34488
    NC2    		 0 C24 H23 N5 O11 S2 InChI=1/C24H23N5O11S2/c25
    -16(22(31)32)10-40-24(35)
    20(26-18(30)9-15-2-1-7-41
    -15)21-27-19(23(33)34)13(
    11-42-21)4-3-12-5-6-14(28
    (36)37)8-17(12)29(38)39/h
    1-8,16,20-21,27H,9-11,25H
    2,(H,26,30)(H,31,32)(H,33
    ,34)/b4-3+/t16-,20-,21+/m
    0/s1/f/h26,31,33H;
    GPHOELDACAWWAE-LNPOAWELDM    		 O=C(O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(
    =C(N2)C(=O)O)\C=C\c3ccc([N+]([O-])=O)cc3
    [N+]([O-])=O; N[C@@H](COC(=O)[C@@H](NC(=
    O)Cc1sccc1)[C@@H]2NC(=C(CS2)\C=C\c3ccc(c
    c3[N+]([O-])=O)[N+]([O-])=O)C(O)=O)C(O)=
    O; N[CH](COC(=O)[CH](NC(=O)Cc1sccc1)[CH]
    2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]
    ([O-])=O)C(O)=O)C(O)=O; c1cc(sc1)CC(=O)N
    [C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N
    +](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OC[C
    @@H](C(=O)O)N; c1cc(sc1)CC(=O)NC(C2NC(=C
    (CS2)C=Cc3ccc(cc3[N+](=O)[O-])[N+](=O)[O
    -])C(=O)O)C(=O)OCC(C(=O)O)N    		 NITROCEFIN ACYL-SERINE
    34489
    NC3
    CHEMBL66380
    DB08256
    ZINC000006691828    		 2 C9 H16 N2 O3 InChI=1S/C9H16N2O3/c12-8(
    13)6-10-9(14)11-7-4-2-1-3
    -5-7/h7H,1-6H2,(H,12,13)(
    H2,10,11,14);
    NVORCMBCUHQRDL-UHFFFAOYSA-N    		 OC(=O)CNC(=O)NC1CCCCC1; O=C(NC1CCCCC1)NC
    C(=O)O; C1CCC(CC1)NC(=O)NCC(=O)O    		 N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE;
    4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID
    34490
    NC4
    CHEMBL219695
    DB08257
    ZINC000008754389    		 1 C11 H20 N2 O3 InChI=1S/C11H20N2O3/c14-1
    0(15)7-4-8-12-11(16)13-9-
    5-2-1-3-6-9/h9H,1-8H2,(H,
    14,15)(H2,12,13,16);
    WSVFRGGLURJIMG-UHFFFAOYSA-N    		 C1CCC(CC1)NC(=O)NCCCC(=O)O; O=C(NC1CCCCC
    1)NCCCC(=O)O; OC(=O)CCCNC(=O)NC1CCCCC1    		 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID;
    4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID
    34491
    NC5
    ZINC000026496496    		 0 C33 H45 N5 O2 InChI=1S/C33H45N5O2/c1-3-
    28-9-5-7-17-37(28)19-15-3
    2(39)34-26-13-11-24-21-25
    -12-14-27(23-31(25)36-30(
    24)22-26)35-33(40)16-20-3
    8-18-8-6-10-29(38)4-2/h11
    -14,21-23,28-29H,3-10,15-
    20H2,1-2H3,(H,34,39)(H,35
    ,40)/t28-,29+;
    ZWPUGYBFVBXUSX-ISILISOKSA-N    		 CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(c
    c4nc3c2)NC(=O)CC[N@@]5CCCC[C@@H]5CC; CC[
    C@@H]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(=O)C
    CN5CCCC[C@@H]5CC)cc4nc3c2; O=C(Nc3cc2nc1
    cc(ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C
    (CC)CCCC5; CC[CH]1CCCCN1CCC(=O)Nc2ccc3cc
    4ccc(NC(=O)CCN5CCCC[CH]5CC)cc4nc3c2; CCC
    1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(
    =O)CCN5CCCCC5CC    		 3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide
    34492
    NC6
    CHEMBL434374
    DB08258
    ZINC000013493677    		 1 C13 H24 N2 O3 InChI=1S/C13H24N2O3/c16-1
    2(17)9-5-2-6-10-14-13(18)
    15-11-7-3-1-4-8-11/h11H,1
    -10H2,(H,16,17)(H2,14,15,
    18);
    KFTVEPYSUSWBRD-UHFFFAOYSA-N    		 OC(=O)CCCCCNC(=O)NC1CCCCC1; C1CCC(CC1)NC
    (=O)NCCCCCC(=O)O; O=C(NC1CCCCC1)NCCCCCC(
    =O)O    		 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID;
    4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID
    34493
    NC7
    DB08259
    ZINC000013493757    		 1 C14 H26 N2 O3 InChI=1S/C14H26N2O3/c17-1
    3(18)10-6-1-2-7-11-15-14(
    19)16-12-8-4-3-5-9-12/h12
    H,1-11H2,(H,17,18)(H2,15,
    16,19);
    GYTIWWDVOFXKPF-UHFFFAOYSA-N    		 C1CCC(CC1)NC(=O)NCCCCCCC(=O)O; O=C(NC1CC
    CCC1)NCCCCCCC(=O)O; OC(=O)CCCCCCNC(=O)NC
    1CCCCC1    		 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID;
    4-(3-CYCLOHEXYLURIEDO)-HEPTANOIC ACID
    34494
    NC8    		 1 C30 H34 Br N4 O3 InChI=1S/C30H33BrN4O3/c31
    -26-7-5-25(6-8-26)30(37)3
    8-20-23-13-14-34-17-24(15
    -23)19-35(18-22-3-11-28(3
    3)12-4-22)29(36)16-21-1-9
    -27(32)10-2-21/h1-13,24,3
    4H,14-20,32-33H2/p+1/t24-
    /m1/s1;
    ILVATMQGTNYMLQ-XMMPIXPASA-O    		 c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[
    NH2+]C3)COC(=O)c4ccc(cc4)Br)N; Nc1ccc(CN
    (C[CH]2C[NH2+]CC=C(COC(=O)c3ccc(Br)cc3)C
    2)C(=O)Cc4ccc(N)cc4)cc1; c1cc(ccc1CC(=O)
    N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO
    C(=O)c4ccc(cc4)Br)N; Nc1ccc(CN(C[C@H]2C[
    NH2+]CC=C(COC(=O)c3ccc(Br)cc3)C2)C(=O)Cc
    4ccc(N)cc4)cc1; Brc1ccc(cc1)C(=O)OCC4=CC
    [NH2+]CC(CN(C(=O)Cc2ccc(N)cc2)Cc3ccc(N)c
    c3)C4    		 (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium
    34495
    NC9    		 1 C23 H31 N4 O2 InChI=1S/C23H30N4O2/c24-2
    1-5-1-17(2-6-21)12-23(29)
    27(14-18-3-7-22(25)8-4-18
    )15-20-11-19(16-28)9-10-2
    6-13-20/h1-9,20,26,28H,10
    -16,24-25H2/p+1/t20-/m1/s
    1;
    WRSLWDODYIRHLE-HXUWFJFHSA-O    		 c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[
    NH2+]C3)CO)N; c1cc(ccc1CC(=O)N(Cc2ccc(cc
    2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N; O=C(N(C
    C1CC(=CC[NH2+]C1)CO)Cc2ccc(N)cc2)Cc3ccc(
    N)cc3; Nc1ccc(CN(C[C@H]2C[NH2+]CC=C(CO)C
    2)C(=O)Cc3ccc(N)cc3)cc1; Nc1ccc(CN(C[CH]
    2C[NH2+]CC=C(CO)C2)C(=O)Cc3ccc(N)cc3)cc1    		 (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium
    34496
    NCA
    CHEMBL1140
    DB02701
    ZINC000000005878    		 178 C6 H6 N2 O InChI=1S/C6H6N2O/c7-6(9)5
    -2-1-3-8-4-5/h1-4H,(H2,7,
    9);
    DFPAKSUCGFBDDF-UHFFFAOYSA-N    		 c1cc(cnc1)C(=O)N; NC(=O)c1cccnc1; O=C(N)
    c1cccnc1    		 NICOTINAMIDE
    34497
    NCB
    DB04048
    ZINC000082071078    		 0 C4 H8 N2 O3 InChI=1S/C4H8N2O3/c1-2(3(
    7)8)6-4(5)9/h2H,1H3,(H,7,
    8)(H3,5,6,9)/t2-/m1/s1;
    LUSWEUMSEVLFEQ-UWTATZPHSA-N    		 CC(C(=O)O)NC(=O)N; C[C@@H](NC(N)=O)C(O)=
    O; C[C@H](C(=O)O)NC(=O)N; C[CH](NC(N)=O)
    C(O)=O; O=C(O)C(NC(=O)N)C    		 N-CARBAMOYL-ALANINE
    34498
    NCC
    CHEMBL1234647
    DB02485
    ZINC000008215638    		 13 C20 H31 N4 O16 P InChI=1S/C20H31N4O16P/c1-
    7(26)22-12-8(27)4-20(18(3
    2)33,39-16(12)13(29)9(28)
    5-25)40-41(35,36)37-6-10-
    14(30)15(31)17(38-10)24-3
    -2-11(21)23-19(24)34/h2-3
    ,8-10,12-17,25,27-31H,4-6
    H2,1H3,(H,22,26)(H,32,33)
    (H,35,36)(H2,21,23,34)/t8
    -,9+,10+,12+,13+,14+,15+,
    16+,17+,20+/m0/s1;
    TXCIAUNLDRJGJZ-BILDWYJOSA-N    		 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H](
    [C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@
    @H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)
    N)O)O)O; CC(=O)N[CH]1[CH](O)C[C](O[CH]1[
    CH](O)[CH](O)CO)(O[P](O)(=O)OC[CH]2O[CH]
    ([CH](O)[CH]2O)N3C=CC(=NC3=O)N)C(O)=O; O
    =C(NC1C(O)CC(OC1C(O)C(O)CO)(OP(=O)(O)OCC
    3OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C(=O)O)C;
    CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=
    O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O;
    CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]1[C
    @H](O)[C@H](O)CO)(O[P@](O)(=O)OC[C@H]2O[
    C@H]([C@H](O)[C@@H]2O)N3C=CC(=NC3=O)N)C(
    O)=O    		 CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID
    34499
    NCD
    DB04252
    ZINC000000895230    		 36 C5 H8 N2 O5 InChI=1S/C5H8N2O5/c6-5(12
    )7-2(4(10)11)1-3(8)9/h2H,
    1H2,(H,8,9)(H,10,11)(H3,6
    ,7,12)/t2-/m0/s1;
    HLKXYZVTANABHZ-REOHCLBHSA-N    		 NC(=O)N[C@@H](CC(O)=O)C(O)=O; C([C@@H](C
    (=O)O)NC(=O)N)C(=O)O; O=C(O)C(NC(=O)N)CC
    (=O)O; C(C(C(=O)O)NC(=O)N)C(=O)O; NC(=O)
    N[CH](CC(O)=O)C(O)=O    		 N-CARBAMOYL-L-ASPARTATE
    34500
    NCE
    CHEMBL421143
    ZINC000026495604    		 0 C27 H33 N5 O4 InChI=1S/C27H33N5O4/c33-2
    6(5-7-31-9-13-35-14-10-31
    )28-22-3-1-20-17-21-2-4-2
    3(19-25(21)30-24(20)18-22
    )29-27(34)6-8-32-11-15-36
    -16-12-32/h1-4,17-19H,5-1
    6H2,(H,28,33)(H,29,34);
    PKCWQSROJQAQMV-UHFFFAOYSA-N    		 O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCO
    CC4)CCN5CCOCC5; c1cc(cc2c1cc3ccc(cc3n2)N
    C(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5; O=C(CC
    N1CCOCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCOCC5)
    cc4nc3c2    		 3,6-Bis[(3-morpholinopropionamido)] acridine;
    N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)
    34501
    NCF    		 4 C13 H14 N2 O5 S2 InChI=1S/C13H14N2O5S2/c16
    -9(6-7-2-1-4-21-7)15-10(1
    3(19)20)11-14-8(12(17)18)
    3-5-22-11/h1-2,4,10-11H,3
    ,5-6H2,(H,15,16)(H,17,18)
    (H,19,20)/t10-,11+/m0/s1;
    LNPNJPUNJYVKHH-WDEREUQCSA-N    		 OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2SCCC(=N2)
    C(O)=O; S1CCC(C(O)=O)=NC1C(C=O)NC(=O)Cc2
    cccs2; c1cc(sc1)CC(=O)N[C@@H]([C@@H]2N=C
    (CCS2)C(=O)O)C(=O)O; c1cc(sc1)CC(=O)NC(C
    2N=C(CCS2)C(=O)O)C(=O)O; OC(=O)[C@@H](NC
    (=O)Cc1sccc1)[C@H]2SCCC(=N2)C(O)=O    		 (2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID;
    NITROCEFIN, open form without dinitrophenyl-ethenyl group;
    (2R)-2-[(1R)-2-oxo-1-{[(thiophen-2-yl)acetyl]amino}ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    34502
    NCG
    ZINC000263620540    		 0 C45 H52 N4 O18 S InChI=1S/C45H52N4O18S/c1-
    18-11-21(62-4)13-23-22(18
    )5-7-29(50)33(23)42(59)66
    -38-37(67-43-34(47-3)36(5
    5)35(54)19(2)64-43)24-12-
    20-9-10-45(61,30-16-63-44
    (60)65-30)26(20)14-25(24)
    39(38)68-17-28(40(56)48-1
    5-32(52)53)49-31(51)8-6-2
    7(46)41(57)58/h5,7,9-14,1
    9,27-28,30,34-39,43,47,50
    ,54-55,61H,6,8,15-17,46H2
    ,1-4H3,(H,48,56)(H,49,51)
    (H,52,53)(H,57,58)/t19-,2
    7-,28+,30-,34-,35+,36-,37
    -,38+,39+,43-,45-/m1/s1;
    HZICOJKOTQKXNL-RKDHACFISA-N    		 O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC7c3
    cc1c(C=CC1(O)C2OC(=O)OC2)cc3C(OC4OC(C(O)
    C(O)C4NC)C)C7OC(=O)c6c5cc(OC)cc(c5ccc6O)
    C; Cc1cc(cc2c1ccc(c2C(=O)OC3C(c4cc5c(cc4
    C3SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C
    (C=C5)(C6COC(=O)O6)O)OC7C(C(C(C(O7)C)O)O
    )NC)O)OC; CN[C@@H]1[C@@H](O)[C@@H](O)[C@
    @H](C)O[C@@H]1O[C@H]2[C@H](OC(=O)c3c(O)c
    cc4c(C)cc(OC)cc34)[C@@H](SC[C@H](NC(=O)C
    C[C@@H](N)C(O)=O)C(=O)NCC(O)=O)c5cc6c(C=
    C[C@]6(O)[C@H]7COC(=O)O7)cc25; Cc1cc(cc2
    c1ccc(c2C(=O)O[C@H]3[C@@H](c4cc5c(cc4[C@
    @H]3SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H]
    (C(=O)O)N)[C@](C=C5)([C@H]6COC(=O)O6)O)O
    [C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O
    )NC)O)OC; CN[CH]1[CH](O)[CH](O)[CH](C)O[
    CH]1O[CH]2[CH](OC(=O)c3c(O)ccc4c(C)cc(OC
    )cc34)[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)
    C(=O)NCC(O)=O)c5cc6c(C=C[C]6(O)[CH]7COC(
    =O)O7)cc25    		 [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE;
    NCSI-GLU;
    NEOCARZINOSTATIN-GLUTATHIONE CHROMOPHORE
    34503
    NCH
    ZINC000004521729    		 2 C11 H18 N2 O6 P InChI=1S/C11H17N2O6P/c1-1
    3(2,3)8-9-18-20(16,17)19-
    11-6-4-10(5-7-11)12(14)15
    /h4-7H,8-9H2,1-3H3/p+1;
    NAIXASFEPQPICN-UHFFFAOYSA-O    		 C[N+](C)(C)CCOP(=O)(O)Oc1ccc(cc1)[N+](=O
    )[O-]; C[N+](C)(C)CCO[P@@](O)(=O)Oc1ccc(
    cc1)[N+]([O-])=O; [O-][N+](=O)c1ccc(OP(=
    O)(OCC[N+](C)(C)C)O)cc1; C[N+](C)(C)CCO[
    P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]; C[N+]
    (C)(C)CCO[P](O)(=O)Oc1ccc(cc1)[N+]([O-])
    =O    		 P-NITROPHENYL-PHOSPHOCHOLINE
    34504
    NCI
    ZINC000058649857    		 0 C33 H45 N5 O2 InChI=1S/C33H45N5O2/c1-3-
    28-9-5-7-17-37(28)19-15-3
    2(39)34-26-13-11-24-21-25
    -12-14-27(23-31(25)36-30(
    24)22-26)35-33(40)16-20-3
    8-18-8-6-10-29(38)4-2/h11
    -14,21-23,28-29H,3-10,15-
    20H2,1-2H3,(H,34,39)(H,35
    ,40)/t28-,29-/m1/s1;
    ZWPUGYBFVBXUSX-FQLXRVMXSA-N    		 CC[C@@H]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(=
    O)CCN5CCCC[C@H]5CC)cc4nc3c2; CC[C@@H]1CC
    CC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(
    =O)CC[N@@]5CCCC[C@H]5CC; O=C(Nc3cc2nc1cc
    (ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C(C
    C)CCCC5; CC[CH]1CCCCN1CCC(=O)Nc2ccc3cc4c
    cc(NC(=O)CCN5CCCC[CH]5CC)cc4nc3c2; CCC1C
    CCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O
    )CCN5CCCCC5CC    		 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine;
    N,N'-acridine-3,6-diylbis{3-[(2R)-2-ethylpiperidin-1-yl]propanamide}
    34505
    NCJ
    ZINC000058649859    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c1-22
    -7-3-5-15-35(22)17-13-30(
    37)32-26-11-9-24-19-25-10
    -12-27(21-29(25)34-28(24)
    20-26)33-31(38)14-18-36-1
    6-6-4-8-23(36)2/h9-12,19-
    23H,3-8,13-18H2,1-2H3,(H,
    32,37)(H,33,38)/t22-,23-/
    m1/s1;
    AFTOIBDEHJTNKF-DHIUTWEWSA-N    		 O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4C(C
    CCC4)C)CCN5C(C)CCCC5; C[CH]1CCCCN1CCC(=O
    )Nc2ccc3cc4ccc(NC(=O)CCN5CCCC[CH]5C)cc4n
    c3c2; C[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4
    ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5C;
    CC1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)N
    C(=O)CCN5CCCCC5C; C[C@@H]1CCCCN1CCC(=O)N
    c2ccc3cc4ccc(NC(=O)CCN5CCCC[C@H]5C)cc4nc
    3c2    		 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine;
    N,N'-acridine-3,6-diylbis{3-[(2R)-2-methylpiperidin-1-yl]propanamide}
    34506
    NCK
    CHEMBL309919
    ZINC000026488967    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c1-22
    -7-13-35(14-8-22)17-11-30
    (37)32-26-5-3-24-19-25-4-
    6-27(21-29(25)34-28(24)20
    -26)33-31(38)12-18-36-15-
    9-23(2)10-16-36/h3-6,19-2
    3H,7-18H2,1-2H3,(H,32,37)
    (H,33,38);
    BQDBDQOPOGFTHF-UHFFFAOYSA-N    		 CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2
    )NC(=O)CCN5CCC(CC5)C; CC1CCN(CC1)CCC(=O)
    Nc2ccc3cc4ccc(NC(=O)CCN5CCC(C)CC5)cc4nc3
    c2; O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN
    4CCC(CC4)C)CCN5CCC(C)CC5    		 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine;
    N,N'-acridine-3,6-diylbis[3-(4-methylpiperidin-1-yl)propanamide]
    34507
    NCL
    ZINC000026498547    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c1-22
    -5-3-13-35(20-22)15-11-30
    (37)32-26-9-7-24-17-25-8-
    10-27(19-29(25)34-28(24)1
    8-26)33-31(38)12-16-36-14
    -4-6-23(2)21-36/h7-10,17-
    19,22-23H,3-6,11-16,20-21
    H2,1-2H3,(H,32,37)(H,33,3
    8)/t22-,23-/m1/s1;
    JGEGKUSUCAFTEW-DHIUTWEWSA-N    		 O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCC
    C(C4)C)CCN5CCCC(C)C5; C[C@@H]1CCCN(CCC(=
    O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC[C@@H](C)C5
    )cc4nc3c2)C1; CC1CCCN(C1)CCC(=O)Nc2ccc3c
    c4ccc(cc4nc3c2)NC(=O)CCN5CCCC(C5)C; C[C@
    @H]1CCC[N@](C1)CCC(=O)Nc2ccc3cc4ccc(cc4n
    c3c2)NC(=O)CC[N@]5CCC[C@H](C5)C; C[CH]1C
    CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC[C
    H](C)C5)cc4nc3c2)C1    		 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine;
    N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide}
    34508
    NCM
    DB03540
    ZINC000001693941    		 1 C7 H10 O InChI=1S/C7H10O/c8-7-4-5-
    1-2-6(7)3-5/h5-6H,1-4H2/t
    5-,6+/m0/s1;
    KPMKEVXVVHNIEY-NTSWFWBYSA-N    		 C1CC2CC1CC2=O; O=C1C[CH]2CC[CH]1C2; O=C1
    CC2CC1CC2; O=C1C[C@H]2CC[C@@H]1C2; C1C[C
    @@H]2C[C@H]1CC2=O    		 NORCAMPHOR
    34509
    NCN
    DB02382    		 50 C11 H14 N O9 P InChI=1S/C11H14NO9P/c13-8
    -7(5-20-22(17,18)19)21-10
    (9(8)14)12-3-1-2-6(4-12)1
    1(15)16/h1-4,7-10,13-14H,
    5H2,(H2-,15,16,17,18,19)/
    t7-,8-,9-,10-/m1/s1;
    JOUIQRNQJGXQDC-ZYUZMQFOSA-N    		 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)[O-])
    O)O)C(=O)O; [O-]P(=O)(O)OCC2OC([n+]1cc(c
    cc1)C(=O)O)C(O)C2O; c1cc(c[n+](c1)[C@H]2
    [C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-
    ])O)O)C(=O)O; O[CH]1[CH](O)[CH](O[CH]1CO
    [P](O)([O-])=O)[n+]2cccc(c2)C(O)=O; O[C@
    H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)([O-]
    )=O)[n+]2cccc(c2)C(O)=O    		 NICOTINATE MONONUCLEOTIDE;
    NAMN
    34510
    NCO
    DB03350    		 0 Co H18 N6 InChI=1S/Co.6H3N/h;6*1H3/
    q+3;;;;;;;
    DYLMFCCYOUSRTK-UHFFFAOYSA-N    		 [NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[
    NH3]; N.N.N.N.N.N.[Co+3]    		 COBALT HEXAMMINE(III)
    34511
    NCP    		 0 Cl2 H4 N2 Pt InChI=1S/2ClH.2H2N.Pt/h2*
    1H;2*1H2;/q;;2*-1;+4/p-2;
    DQLATGHUWYMOKM-UHFFFAOYSA-L    		 Cl[Pt](Cl)(N)N; N[Pt](N)(Cl)Cl CIS-DIAMINODICHLOROPLATINUM
    34512
    NCQ
    CHEMBL82008
    ZINC000013557558    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c37-3
    0(13-19-35-15-5-1-2-6-16-
    35)32-26-11-9-24-21-25-10
    -12-27(23-29(25)34-28(24)
    22-26)33-31(38)14-20-36-1
    7-7-3-4-8-18-36/h9-12,21-
    23H,1-8,13-20H2,(H,32,37)
    (H,33,38);
    MSWYQCALXGGGBX-UHFFFAOYSA-N    		 c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4
    )NC(=O)CCN5CCCCCC5; O=C(CCN1CCCCCC1)Nc2c
    cc3cc4ccc(NC(=O)CCN5CCCCCC5)cc4nc3c2; O=
    C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCCC
    C4)CCN5CCCCCC5    		 3,6-Bis[3-(azepan-1-yl)propionamido]acridine;
    N,N'-acridine-3,6-diylbis(3-azepan-1-ylpropanamide)
    34513
    NCR
    CHEMBL1234658
    DB04110
    ZINC000020230664    		 2 C7 H7 N O3 InChI=1S/C7H7NO3/c1-5-2-3
    -7(9)6(4-5)8(10)11/h2-4,9
    H,1H3;
    SYDNSSSQVSOXTN-UHFFFAOYSA-N    		 O=[N+]([O-])c1cc(ccc1O)C; Cc1ccc(c(c1)[N
    +](=O)[O-])O; Cc1ccc(O)c(c1)[N+]([O-])=O    		 2-NITRO-P-CRESOL
    34514
    NCS    		 0 C35 H36 N O12 InChI=1S/C35H35NO12/c1-14
    -9-17(43-4)11-22-18(14)5-
    6-23(37)35(22)25-19-12-21
    -16(7-8-34(21,42)24-13-44
    -33(41)46-24)10-20(19)29(
    30(25)48-32(35)40)47-31-2
    6(36-3)28(39)27(38)15(2)4
    5-31/h5-12,15,24-31,36,38
    -39,42H,13H2,1-4H3/p+1/t1
    5-,24-,25-,26-,27+,28-,29
    -,30-,31-,34-,35+/m1/s1;
    OBDNPHCYNBAIOJ-KDIFMUJMSA-O    		 C[NH2+][C@@H]1[C@@H](O)[C@@H](O)[C@@H](C
    )O[C@@H]1O[C@H]2[C@@H]3OC(=O)[C@]4([C@@H
    ]3c5cc6c(C=C[C@]6(O)[C@H]7COC(=O)O7)cc25
    )C(=O)C=Cc8c(C)cc(OC)cc48; Cc1cc(cc2c1C=
    CC(=O)C23C4c5cc6c(cc5C(C4OC3=O)OC7C(C(C(
    C(O7)C)O)O)[NH2+]C)C=CC6(C8COC(=O)O8)O)O
    C; O=C1OCC(O1)C3(O)c2cc7c(cc2C=C3)C(OC4O
    C(C(O)C(O)C4[NH2+]C)C)C8OC(=O)C6(c5cc(OC
    )cc(c5C=CC6=O)C)C78; C[NH2+][CH]1[CH](O)
    [CH](O)[CH](C)O[CH]1O[CH]2[CH]3OC(=O)[C]
    4([CH]3c5cc6c(C=C[C]6(O)[CH]7COC(=O)O7)c
    c25)C(=O)C=Cc8c(C)cc(OC)cc48; Cc1cc(cc2c
    1C=CC(=O)[C@]23[C@@H]4c5cc6c(cc5[C@H]([C
    @@H]4OC3=O)O[C@@H]7[C@@H]([C@H]([C@H]([C
    @H](O7)C)O)O)[NH2+]C)C=C[C@@]6([C@H]8COC
    (=O)O8)O)OC
    34515
    NCT
    CHEMBL3
    DB00184
    ZINC000000391812    		 155 C10 H14 N2 InChI=1S/C10H14N2/c1-12-7
    -3-5-10(12)9-4-2-6-11-8-9
    /h2,4,6,8,10H,3,5,7H2,1H3
    /t10-/m0/s1;
    SNICXCGAKADSCV-JTQLQIEISA-N    		 C[N@@]1CCC[C@H]1c2cccnc2; n1cc(ccc1)C2N(
    C)CCC2; CN1CCC[C@H]1c2cccnc2; CN1CCCC1c2
    cccnc2; CN1CCC[CH]1c2cccnc2    		 (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE;
    (S)-(-)-NICOTINE;
    3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE
    34516
    NCU
    ZINC000263620791    		 0 C12 H19 N4 O8 P InChI=1S/C12H19N4O8P/c1-6
    -3-16(11(18)14-9(6)13)10-
    7-8(17)12(23-10,4-15(2)24
    -7)5-22-25(19,20)21/h3,7-
    8,10,17H,4-5H2,1-2H3,(H2,
    13,14,18)(H2,19,20,21)/t7
    -,8+,10-,12-/m1/s1;
    NFVTVBMMWKQGEV-UJYYTQATSA-N    		 CN1C[C]2(CO[P](O)(O)=O)O[CH]([CH](O1)[CH
    ]2O)N3C=C(C)C(=NC3=O)N; CN1C[C@]2(CO[P](
    O)(O)=O)O[C@H]([C@H](O1)[C@@H]2O)N3C=C(C
    )C(=NC3=O)N; O=C1N=C(N)C(=CN1C3OC2(C(O)C
    3ON(C)C2)COP(=O)(O)O)C; CC1=CN(C(=O)N=C1
    N)C2C3C(C(O2)(CN(O3)C)COP(=O)(O)O)O; CC1
    =CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](
    O2)(CN(O3)C)COP(=O)(O)O)O    		 [(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2H)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
    34517
    NCV
    ZINC000058650795    		 2 C10 H16 N2 O4 InChI=1S/C10H16N2O4/c1-6-
    8(3-7(4-13)5-14)12(2)10(1
    6)11-9(6)15/h7,13-14H,3-5
    H2,1-2H3,(H,11,15,16);
    FMPCUJIPAJPVKR-UHFFFAOYSA-N    		 CN1C(=O)NC(=O)C(=C1CC(CO)CO)C; CC1=C(N(C
    (=O)NC1=O)C)CC(CO)CO; O=C1C(=C(N(C(=O)N1
    )C)CC(CO)CO)C    		 N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine;
    6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione;
    N-methyl-DHBT
    34518
    NCW
    DB08260
    ZINC000053683045    		 2 C15 H28 N2 O4 S InChI=1S/C15H28N2O4S/c1-2
    -3-4-5-6-7-8-16-15(22)17-
    10-9-21-14(17)13(20)12(19
    )11(10)18/h10-14,18-20H,2
    -9H2,1H3,(H,16,22)/t10-,1
    1+,12-,13+,14+/m0/s1;
    LFSNQOFOMJLHIW-MEBFFEOJSA-N    		 CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@H](O)[
    C@@H](O)[C@@H]2O; CCCCCCCCNC(=S)N1[C@H]2
    CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O; CCCC
    CCCCNC(=S)N1[CH]2CO[CH]1[CH](O)[CH](O)[C
    H]2O; CCCCCCCCNC(=S)N1C2COC1C(C(C2O)O)O;
    S=C(N2C1C(O)C(O)C(O)C2OC1)NCCCCCCCC    		 (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide
    34519
    NCX
    ZINC000058649829    		 0 C14 H16 N3 O9 P InChI=1S/C14H16N3O9P/c15-
    14(19)9-5-16(10-2-1-7(17(
    20)21)3-8(9)10)13-4-11(18
    )12(26-13)6-25-27(22,23)2
    4/h1-3,5,11-13,18H,4,6H2,
    (H2,15,19)(H2,22,23,24)/t
    11-,12+,13+/m0/s1;
    AWLFWQPJPLUSDJ-YNEHKIRRSA-N    		 [O-][N+](=O)c2cc1c(cn(c1cc2)C3OC(C(O)C3)
    COP(=O)(O)O)C(=O)N; NC(=O)c1cn([CH]2C[CH
    ](O)[CH](CO[P](O)(O)=O)O2)c3ccc(cc13)[N+
    ]([O-])=O; NC(=O)c1cn([C@H]2C[C@H](O)[C@
    @H](CO[P](O)(O)=O)O2)c3ccc(cc13)[N+]([O-
    ])=O; c1cc2c(cc1[N+](=O)[O-])c(cn2[C@H]3
    C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N; c
    1cc2c(cc1[N+](=O)[O-])c(cn2C3CC(C(O3)COP
    (=O)(O)O)O)C(=O)N    		 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE-3-CARBOXAMIDE
    34520
    NCY
    ZINC000004280685    		 0 C4 H9 N O2 S InChI=1S/C4H9NO2S/c1-5-3(
    2-8)4(6)7/h3,5,8H,2H2,1H3
    ,(H,6,7)/t3-/m0/s1;
    DVOOXRTYGGLORL-VKHMYHEASA-N    		 CNC(CS)C(=O)O; CN[C@@H](CS)C(O)=O; CN[CH
    ](CS)C(O)=O; CN[C@@H](CS)C(=O)O; O=C(O)C
    (NC)CS    		 N-METHYLCYSTEINE
    34521
    NCZ
    CHEMBL291386
    DB08261
    ZINC000100036551    		 1 C18 H18 O6 InChI=1S/C18H18O6/c1-9-7-
    10(23-2)8-12-11(9)3-4-13(
    19)16(12)18(22)24-17-14(2
    0)5-6-15(17)21/h3-8,14-15
    ,17,19-21H,1-2H3/t14-,15+
    ,17+;
    XILHLKXLRFUQFI-QLPKVWCKSA-N    		 COc1cc(C)c2ccc(O)c(C(=O)O[C@H]3[C@H](O)C
    =C[C@@H]3O)c2c1; Cc1cc(cc2c1ccc(c2C(=O)O
    C3[C@H](C=C[C@H]3O)O)O)OC; O=C(OC1C(O)C=
    CC1O)c3c2cc(OC)cc(c2ccc3O)C; Cc1cc(cc2c1
    ccc(c2C(=O)OC3C(C=CC3O)O)O)OC; COc1cc(C)
    c2ccc(O)c(C(=O)O[CH]3[CH](O)C=C[CH]3O)c2
    c1    		 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-CYCLOPENT-3-ENYL ESTER
    34522
    ND    		 6 Nd InChI=1S/Nd/q+3;
    UYIXUPGBIXNDHN-UHFFFAOYSA-N    		 [Nd+3] Neodymium Ion
    34523
    ND0    		 2 C22 H14 F3 N3 O2 S InChI=1S/C22H14F3N3O2S/c2
    3-22(24,25)17-4-2-1-3-16(
    17)20(29)14-9-18(27-10-14
    )21(30)28-15-7-5-13(6-8-1
    5)19-11-26-12-31-19/h1-12
    ,27H,(H,28,30);
    HLKQNAGWYQKBSH-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)c2cc([nH]c2)C(=O)Nc3ccc(
    cc3)c4cncs4)C(F)(F)F; FC(F)(F)c1ccccc1C(
    =O)c2c[nH]c(c2)C(=O)Nc3ccc(cc3)c4scnc4    		 N-[4-(1,3-thiazol-5-yl)phenyl]-4-[2-(trifluoromethyl)phenyl]carbonyl-1H-pyrrole-2-carboxamide;
    YL-5092
    34524
    ND1    		 2 C30 H29 F4 N5 O2 InChI=1S/C30H29F4N5O2/c1-
    39(2)27(40)9-6-14-35-15-1
    6-41-26-13-11-22(19-36-26
    )28(21-10-12-25-23(17-21)
    29(31)38-37-25)24(18-30(3
    2,33)34)20-7-4-3-5-8-20/h
    3-13,17,19,35H,14-16,18H2
    ,1-2H3,(H,37,38)/b9-6?,28
    -24-;
    JPFTZIJTXCHJNE-LTZHIIGJSA-N    		 CN(C)C(=O)C=CCNCCOc1ccc(cn1)C(=C(CC(F)(F
    )F)c2ccccc2)c3ccc4c(c3)c([nH]n4)F; CN(C)
    C(=O)C=CCNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)
    \c2ccccc2)/c3ccc4c(c3)c([nH]n4)F; CN(C)C
    (=O)C=CCNCCOc1ccc(cn1)C(=C(CC(F)(F)F)c2c
    cccc2)c3ccc4n[nH]c(F)c4c3; c1cc(cnc1OCCN
    C[C@H]=[C@H]C(N(C)C)=O)\C(=C(/c2ccccc2)C
    C(F)(F)F)c4cc3c(F)nnc3cc4; CN(C)C(=O)\C=
    C/CNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)c2cccc
    c2)c3ccc4n[nH]c(F)c4c3    		 (2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
    34525
    ND2
    CHEMBL5266181    		 4 C24 H29 N9 O InChI=1S/C24H29N9O/c1-24(
    8-9-24)34-22-21-20(5-4-19
    (28-21)16-12-25-32(3)14-1
    6)29-23(30-22)27-17-13-26
    -33(15-17)18-6-10-31(2)11
    -7-18/h4-5,12-15,18H,6-11
    H2,1-3H3,(H,27,29,30);
    WGMWEVJCHUDPID-UHFFFAOYSA-N    		 CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc
    5n3)c6cnn(C)c6)cn2; CC1(CC1)Oc2c3c(ccc(n
    3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C    		 4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine
    34526
    ND3
    ZINC000230505609    		 1 C9 H14 O6 InChI=1S/C9H14O6/c1-8(2)6
    (12)5(11)4(10)3-9(8,15)7(
    13)14/h4-5,10-11,15H,3H2,
    1-2H3,(H,13,14)/t4-,5+,9+
    /m1/s1;
    FWOMLGVRVSLROK-YZNMAWMESA-N    		 CC1(C(=O)C(C(CC1(C(=O)O)O)O)O)C; O=C1C(C
    (O)(C(=O)O)CC(O)C1O)(C)C; CC1(C(=O)[C@H]
    ([C@@H](C[C@@]1(C(=O)O)O)O)O)C; CC1(C)C(
    =O)[CH](O)[CH](O)C[C]1(O)C(O)=O; CC1(C)C
    (=O)[C@@H](O)[C@H](O)C[C@]1(O)C(O)=O    		 2,2-dimethyl-3-dehydroquinic acid
    34527
    ND4    		 3 N InChI=1S/H3N/h1H3/p+1/i/h
    D4;
    QGZKDVFQNNGYKY-JBISRTOLSA-O    		 [N+]([2H])([2H])([2H])[2H]; [2H][N+]([2H
    ])([2H])[2H]    		 AMMONIUM CATION WITH D
    34528
    ND5
    CHEMBL4795232    		 2 C10 H9 Br2 N O4 InChI=1S/C10H9Br2NO4/c11-
    7-3-6(10(16)8(12)4-7)5-13
    -17-2-1-9(14)15/h3-5,16H,
    1-2H2,(H,14,15)/b13-5+;
    VPPGEQCITQLSNE-WLRTZDKTSA-N    		 OC(=O)CCON=Cc1cc(Br)cc(Br)c1O; c1c(cc(c(
    c1C=NOCCC(=O)O)O)Br)Br; OC(=O)CCO\N=C\c1
    cc(Br)cc(Br)c1O; c1c(cc(c(c1/C=N/OCCC(=O
    )O)O)Br)Br    		 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid
    34529
    ND6    		 1 C20 H23 N5 O2 InChI=1S/C20H23N5O2/c1-15
    (14-26)17-4-2-16(3-5-17)1
    2-20(27)25-10-8-24(9-11-2
    5)19-7-6-18(13-21)22-23-1
    9/h2-7,15,26H,8-12,14H2,1
    H3/t15-/m0/s1;
    YTRLPBJDLDKLMQ-HNNXBMFYSA-N    		 O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#
    N)nn1; C[C@@H](CO)c1ccc(cc1)CC(=O)N2CCN(
    CC2)c3ccc(nn3)C#N; C[C@@H](CO)c1ccc(CC(=
    O)N2CCN(CC2)c3ccc(nn3)C#N)cc1; CC(CO)c1c
    cc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N; C[
    CH](CO)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C
    #N)cc1    		 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
    34530
    ND7
    CHEMBL583986
    ZINC000004096224    		 2 C10 H15 N6 O6 P InChI=1S/C10H15N6O6P/c11-
    8-5-9(14-2-13-8)16(3-15-5
    )10-7(18)6(17)4(22-10)1-2
    1-23(12,19)20/h2-4,6-7,10
    ,17-18H,1H2,(H2,11,13,14)
    (H3,12,19,20)/t4-,6-,7-,1
    0-/m1/s1;
    LDEMREUBLBGZBO-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(N)O
    )O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO
    [P](N)(O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n
    1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP
    (=O)(N)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[C
    H](CO[P](N)(O)=O)[CH](O)[CH]3O; OP(OCC3C
    (C(O)C(n1cnc2c1ncnc2N)O3)O)(=O)N    		 5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine
    34531
    ND8
    CHEMBL312607
    ZINC000000042511    		 3 C9 H6 O2 S InChI=1S/C9H6O2S/c10-9(11
    )8-5-6-3-1-2-4-7(6)12-8/h
    1-5H,(H,10,11);
    DYSJMQABFPKAQM-UHFFFAOYSA-N    		 c1ccc2c(c1)cc(s2)C(=O)O; OC(=O)c1sc2cccc
    c2c1    		 benzothiophene 2 carboxylic acid
    34532
    ND9    		 1 C21 H30 Cl N3 O3 InChI=1S/C21H30ClN3O3/c22
    -14-19(26)24-15-16-8-12-2
    5(13-9-16)20(27)21(10-6-1
    7(23)7-11-21)28-18-4-2-1-
    3-5-18/h1-5,16-17H,6-15,2
    3H2,(H,24,26)/t17-,21-;
    KYZPVSMGBRSVOQ-CYWCHRQTSA-N    		 N[C@@H]1CC[C@](CC1)(Oc2ccccc2)C(=O)N3CC[
    C@H](CC3)CNC(=O)CCl; N[CH]1CC[C](CC1)(Oc
    2ccccc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl; c1
    ccc(cc1)OC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC
    (=O)CCl    		 N-[[1-(4-azanyl-1-phenoxy-cyclohexyl)carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
    34533
    NDA
    DB03797    		 1 C21 H29 N7 O13 P2 InChI=1S/C21H29N7O13P2/c2
    2-4-10-2-1-3-27(5-10)20-1
    6(31)14(29)11(39-20)6-37-
    42(33,34)41-43(35,36)38-7
    -12-15(30)17(32)21(40-12)
    28-9-26-13-18(23)24-8-25-
    19(13)28/h1-3,5,8-9,11-12
    ,14-17,20-21,29-32H,4,6-7
    ,22H2,(H3-,23,24,25,33,34
    ,35,36)/t11-,12-,14-,15-,
    16-,17-,20-,21-/m1/s1;
    HMCRLFVYYFBZEZ-PLEFRAQWSA-N    		 NCc1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])
    (=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[
    C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2
    O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-]
    )OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)
    O)O)O)CN; c1cc(c[n+](c1)[C@H]2[C@@H]([C@
    @H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)
    (O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5
    c4ncnc5N)O)O)O)O)CN; NCc1ccc[n+](c1)[CH]
    2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3
    O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH
    ](O)[CH]2O    		 3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE
    34534
    NDB
    ZINC000002379127    		 2 C7 H18 N O4 S InChI=1S/C7H17NO4S/c1-8(2
    ,5-6-9)4-3-7-13(10,11)12/
    h9H,3-7H2,1-2H3/p+1;
    CNXPCGBLGHKAIL-UHFFFAOYSA-O    		 C[N+](C)(CCCS(=O)(=O)O)CCO; C[N+](C)(CCO
    )CCC[S](O)(=O)=O; O=S(=O)(O)CCC[N+](C)(C
    CO)C    		 N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium
    34535
    NDC
    DB03168    		 1 C27 H35 N7 O15 P2 InChI=1S/C27H35N7O15P2/c2
    8-23-18-25(31-10-30-23)34
    (11-32-18)27-22(39)20(37)
    17(48-27)9-46-51(43,44)49
    -50(41,42)45-8-16-19(36)2
    1(38)26(47-16)33-6-5-12(1
    4(7-33)24(29)40)13-3-1-2-
    4-15(13)35/h5-7,10-11,13,
    16-17,19-22,26-27,36-39H,
    1-4,8-9H2,(H5-,28,29,30,3
    1,40,41,42,43,44)/t13-,16
    +,17+,19+,20+,21+,22+,26+
    ,27+/m0/s1;
    HTFHWJHTWKCYLR-RINXRSLZSA-N    		 c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H
    ]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[
    P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O
    4)n5cnc6c5ncnc6N)O)O)O)O; NC(=O)c1c[n+](
    ccc1[CH]2CCCCC2=O)[CH]3O[CH](CO[P]([O-])
    (=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4
    O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O; c1c[n+
    ](cc(c1C2CCCCC2=O)C(=O)N)C3C(C(C(O3)COP(
    =O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5n
    cnc6N)O)O)O)O; NC(=O)c1c[n+](ccc1[C@@H]2
    CCCCC2=O)[C@@H]3O[C@H](CO[P]([O-])(=O)O[
    P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O
    )n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O    		 NICOTINAMIDE ADENINE DINUCLEOTIDE CYCLOHEXANONE
    34536
    NDD
    CHEMBL1205452
    DB08262
    ZINC000000156288    		 1 C12 H8 O4 InChI=1S/C12H8O4/c13-11(1
    4)9-3-1-7-5-10(12(15)16)4
    -2-8(7)6-9/h1-6H,(H,13,14
    )(H,15,16);
    RXOHFPCZGPKIRD-UHFFFAOYSA-N    		 c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O; O=C(O)c1
    ccc2c(c1)ccc(C(=O)O)c2; OC(=O)c1ccc2cc(c
    cc2c1)C(O)=O    		 2,6-DICARBOXYNAPHTHALENE
    34537
    NDE    		 2 C24 H32 N7 O20 P3 InChI=1S/C24H32N7O20P3/c2
    5-20-14-22(28-7-27-20)31(
    8-29-14)24-19(37)17(35)13
    (50-24)6-48-54(44,45)51-5
    3(42,43)47-5-12-16(34)18(
    36)23(49-12)30-2-1-9(10(3
    -30)21(26)38)15(33)11(32)
    4-46-52(39,40)41/h1-3,7-8
    ,12-13,15-19,23-24,33-37H
    ,4-6H2,(H7-,25,26,27,28,3
    8,39,40,41,42,43,44,45)/t
    12-,13-,15?,16-,17-,18-,1
    9-,23-,24-/m1/s1;
    IVZPTIKSOMOSEU-WPIGAQFXSA-N    		 NC(=O)c1c[n+](ccc1[C@@H](O)C(=O)CO[P](O)
    (O)=O)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@]
    (O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n
    4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O; c1c[n+
    ](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[
    C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(
    [O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([
    C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O; NC(=O)c
    1c[n+](ccc1[CH](O)C(=O)CO[P](O)(O)=O)[CH
    ]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]
    3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[C
    H](O)[CH]2O; c1c[n+](cc(c1C(C(=O)COP(=O)
    (O)O)O)C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O
    )O    		 ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT;
    NAD WITH (1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPANE)
    34538
    NDF
    CHEMBL486146
    DB08263
    ZINC000026637924    		 4 C11 H11 N O5 InChI=1S/C11H11NO5/c13-9(
    11(16)17)12-8(10(14)15)6-
    7-4-2-1-3-5-7/h1-5,8H,6H2
    ,(H,12,13)(H,14,15)(H,16,
    17)/t8-/m1/s1;
    ULQWGBCNOHBNDB-MRVPVSSYSA-N    		 OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O; O=C
    (O)C(=O)NC(C(=O)O)Cc1ccccc1; OC(=O)[CH](
    Cc1ccccc1)NC(=O)C(O)=O; c1ccc(cc1)CC(C(=
    O)O)NC(=O)C(=O)O; c1ccc(cc1)C[C@H](C(=O)
    O)NC(=O)C(=O)O    		 N-(CARBOXYCARBONYL)-D-PHENYLALANINE
    34539
    NDG
    CHEMBL1234669
    DB03740
    ZINC000003860151    		 0 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6-,7
    -,8+/m1/s1;
    OVRNDRQMDRJTHS-PVFLNQBWSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H
    ](O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO)C
    ; CC(=O)NC1C(C(C(OC1O)CO)O)O; CC(=O)N[C@
    @H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O    		 2-acetamido-2-deoxy-alpha-D-glucopyranose;
    N-acetyl-alpha-D-glucosamine;
    2-acetamido-2-deoxy-alpha-D-glucose;
    2-acetamido-2-deoxy-D-glucose;
    2-acetamido-2-deoxy-glucose;
    2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
    34540
    NDH
    DB08264
    ZINC000000388541    		 1 C10 H10 O2 InChI=1S/C10H10O2/c11-9-6
    -5-7-3-1-2-4-8(7)10(9)12/
    h1-6,9-12H/t9-,10+/m0/s1;
    QPUHWUSUBHNZCG-VHSXEESVSA-N    		 O[CH]1C=Cc2ccccc2[CH]1O; O[C@H]1C=Cc2ccc
    cc2[C@H]1O; OC2C=Cc1c(cccc1)C2O; c1ccc2c
    (c1)C=C[C@@H]([C@@H]2O)O; c1ccc2c(c1)C=C
    C(C2O)O    		 (1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE;
    (1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL
    34541
    NDI    		 1 C14 H20 N4 O2 InChI=1S/C14H20N4O2/c1-11
    -3-4-15-9-13(11)16-14(20)
    10-17-5-7-18(8-6-17)12(2)
    19/h3-4,9H,5-8,10H2,1-2H3
    ,(H,16,20);
    YHXAYSKGSZLMHI-UHFFFAOYSA-N    		 O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C; Cc1ccn
    cc1NC(=O)CN2CCN(CC2)C(=O)C; CC(=O)N1CCN(
    CC1)CC(=O)Nc2cnccc2C    		 2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
    34542
    NDJ
    ZINC000098209217    		 4 C11 H22 N2 O4 S InChI=1S/C11H22N2O4S/c1-2
    -3-4-12-11(18)13-5-8(15)1
    0(17)9(16)7(13)6-14/h7-10
    ,14-17H,2-6H2,1H3,(H,12,1
    8)/t7-,8+,9+,10-/m1/s1;
    VCRXDLDGTLMSHK-XFWSIPNHSA-N    		 CCCCNC(=S)N1C[C@@H]([C@H]([C@H]([C@H]1CO
    )O)O)O; CCCCNC(=S)N1CC(C(C(C1CO)O)O)O; C
    CCCNC(=S)N1C[CH](O)[CH](O)[CH](O)[CH]1CO
    ; CCCCNC(=S)N1C[C@H](O)[C@@H](O)[C@@H](O
    )[C@H]1CO; S=C(NCCCC)N1C(C(O)C(O)C(O)C1)
    CO    		 (2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
    34543
    NDK
    CHEMBL5591781    		 1 C19 H21 F N6 O InChI=1S/C19H21FN6O/c1-13
    (2)19-16(20)9-14(12-22-19
    )10-18(27)26-7-5-25(6-8-2
    6)17-4-3-15(11-21)23-24-1
    7/h3-4,9,12-13H,5-8,10H2,
    1-2H3;
    KVGVKTZXYYUWKQ-UHFFFAOYSA-N    		 O=C(Cc1cc(F)c(nc1)C(C)C)N1CCN(CC1)c1ccc(
    C#N)nn1; CC(C)c1ncc(CC(=O)N2CCN(CC2)c3cc
    c(nn3)C#N)cc1F; CC(C)c1c(cc(cn1)CC(=O)N2
    CCN(CC2)c3ccc(nn3)C#N)F    		 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
    34544
    NDM
    ZINC000095921273    		 1 C7 H14 N5 O InChI=1S/C7H14N5O/c1-11-3
    -12(2)5-4(11)6(13)10-7(8)
    9-5/h3,6-7,9-10,13H,8H2,1
    -2H3/q+1/t6-,7+/m0/s1;
    UCYXILDOFXGENE-NKWVEPMBSA-N    		 OC2c1[n+](cn(c1NC(N)N2)C)C; Cn1c[n+](C)c
    2[CH](O)N[CH](N)Nc12; Cn1c[n+](C)c2[C@H]
    (O)N[C@H](N)Nc12; Cn1c[n+](c2c1NC(NC2O)N
    )C    		 7,9-DIMETHYLGUANINE
    34545
    NDN
    CHEMBL1234672    		 2 C9 H12 N3 O10 P InChI=1S/C9H12N3O10P/c13-
    5-1-7(22-6(5)3-21-23(18,1
    9)20)11-2-4(12(16)17)8(14
    )10-9(11)15/h2,5-7,13H,1,
    3H2,(H,10,14,15)(H2,18,19
    ,20)/t5-,6+,7+/m0/s1;
    LVLPVLNNXRTCHP-RRKCRQDMSA-N    		 [O-][N+](=O)C=1C(=O)NC(=O)N(C=1)C2OC(C(O
    )C2)COP(=O)(O)O; C1[C@@H]([C@H](O[C@H]1N
    2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O
    )O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O
    )N2C=C(C(=O)NC2=O)[N+]([O-])=O; C1C(C(OC
    1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O
    )O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2
    C=C(C(=O)NC2=O)[N+]([O-])=O    		 2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE);
    [(2R,3S,5R)-3-HYDROXY-5-(5-NITRO-2,4-DIOXO-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
    34546
    NDO    		 1 C21 H27 N6 O18 P3 InChI=1S/C21H27N6O18P3/c2
    2-17(31)9-2-1-3-26(4-9)20
    -15(30)13(28)10(42-20)5-4
    0-47(36,37)45-48(38,39)41
    -6-11-14(29)16(44-46(33,3
    4)35)21(43-11)27-8-25-12-
    18(27)23-7-24-19(12)32/h1
    -4,7-8,10-11,13-16,20-21,
    28-30H,5-6H2,(H6-,22,23,2
    4,31,32,33,34,35,36,37,38
    ,39)/t10-,11-,13-,14-,15-
    ,16-,20-,21-/m1/s1;
    WKSUSMNNBQFESD-NNYOXOHSSA-N    		 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([
    O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H]
    (O[P](O)(O)=O)[C@@H]3O)n4cnc5c(O)ncnc45)
    [C@@H](O)[C@H]2O; c1cc(c[n+](c1)[C@H]2[C
    @@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[
    P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O
    3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N
    ; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])
    OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5O)OP(
    =O)(O)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1
    )[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC
    [CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cn
    c5c(O)ncnc45)[CH](O)[CH]2O    		 NICOTINAMIDE-(6-DEAMINO-6-HYDROXY-ADENINE)-DINUCLEOTIDE PHOSPHATE
    34547
    NDP
    CHEMBL407009
    DB02338
    ZINC000008215411    		 2776 C21 H30 N7 O17 P3 InChI=1S/C21H30N7O17P3/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(44-46(33,34
    )35)14(30)11(43-21)6-41-4
    8(38,39)45-47(36,37)40-5-
    10-13(29)15(31)20(42-10)2
    7-3-1-2-9(4-27)18(23)32/h
    1,3-4,7-8,10-11,13-16,20-
    21,29-31H,2,5-6H2,(H2,23,
    32)(H,36,37)(H,38,39)(H2,
    22,24,25)(H2,33,34,35)/t1
    0-,11-,13-,14-,15-,16-,20
    -,21-/m1/s1;
    ACFIXJIJDZMPPO-NNYOXOHSSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H
    ]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O
    )N)O)O)O)OP(=O)(O)O)N; NC(=O)C1=CN(C=CC1
    )[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH
    ]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c
    (N)ncnc45)[CH](O)[CH]2O; NC(=O)C1=CN(C=C
    C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(
    =O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@
    @H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O;
    c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)
    OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N
    )O)O)O)OP(=O)(O)O)N    		 NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
    34548
    NDQ
    ZINC000040447672    		 8 C12 H19 N4 O8 P2 S InChI=1S/C12H18N4O8P2S/c1
    -8-10(3-4-23-26(20,21)24-
    25(17,18)19)27-7-16(8)6-9
    -5-14-12(22-2)15-11(9)13/
    h5,7H,3-4,6H2,1-2H3,(H4-,
    13,14,15,17,18,19,20,21)/
    p+1;
    PWBCVHDHRGCQHM-UHFFFAOYSA-O    		 Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP
    (=O)(O)O; COc1ncc(C[n+]2csc(CCO[P](O)(=O
    )O[P](O)(O)=O)c2C)c(N)n1    		 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
    34549
    NDR
    CHEMBL1162
    DB00717
    ZINC000085205451    		 3 C20 H26 O2 InChI=1S/C20H26O2/c1-3-20
    (22)11-9-18-17-6-4-13-12-
    14(21)5-7-15(13)16(17)8-1
    0-19(18,20)2/h1,12,15-18,
    22H,4-11H2,2H3/t15-,16+,1
    7+,18-,19-,20-/m0/s1;
    VIKNJXKGJWUCNN-XGXHKTLJSA-N    		 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)
    O)CCC4=CC(=O)CC[C@H]34; C[C]12CC[CH]3[CH
    ](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C;
    C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H
    ]34)[C@@H]1CC[C@@]2(O)C#C; CC12CCC3C(C1C
    CC2(C#C)O)CCC4=CC(=O)CCC34    		 (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one
    34550
    NDS
    CHEMBL1234674
    DB02618    		 15 C7 H17 N O3 S InChI=1S/C7H17NO3S/c1-4-8
    (2,3)6-5-7-12(9,10)11/h4-
    7H2,1-3H3;
    NNCRHRDBFDCWPA-UHFFFAOYSA-N    		 CC[N+](C)(C)CCC[S]([O-])(=O)=O; CC[N+](C
    )(C)CCCS(=O)(=O)[O-]; [O-]S(=O)(=O)CCC[N
    +](C)(CC)C    		 ETHYL DIMETHYL AMMONIO PROPANE SULFONATE
    34551
    NDT
    CHEMBL168634
    DB08265
    ZINC000169748506    		 23 C14 H13 B N2 O3 S InChI=1S/C14H13BN2O3S/c1-
    11-6-8-13(9-7-11)21(19,20
    )17-15(18)14-5-3-2-4-12(1
    4)10-16-17/h2-10,18H,1H3;
    UQIDNSKBUXCODH-UHFFFAOYSA-N    		 B1(c2ccccc2C=NN1S(=O)(=O)c3ccc(cc3)C)O;
    B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C
    )O; Cc1ccc(cc1)[S](=O)(=O)N2N=Cc3ccccc3B
    2O; O=S(=O)(N2N=Cc1c(cccc1)B2O)c3ccc(cc3
    )C    		 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL
    34552
    NDU
    ZINC000103550818    		 13 C9 H14 N3 O10 P InChI=1S/C9H14N3O10P/c13-
    5-1-7(22-6(5)3-21-23(18,1
    9)20)11-2-4(12(16)17)8(14
    )10-9(11)15/h4-7,13H,1-3H
    2,(H,10,14,15)(H2,18,19,2
    0)/t4-,5+,6-,7-/m1/s1;
    ZYBJIJYGXJSDTC-XZBKPIIZSA-N    		 C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N
    +](=O)[O-])COP(=O)(O)O)O; O[CH]1C[CH](O[
    CH]1CO[P](O)(O)=O)N2C[CH](C(=O)NC2=O)[N+
    ]([O-])=O; C1C(C(OC1N2CC(C(=O)NC2=O)[N+]
    (=O)[O-])COP(=O)(O)O)O; O[C@H]1C[C@@H](O
    [C@@H]1CO[P](O)(O)=O)N2C[C@H](C(=O)NC2=O
    )[N+]([O-])=O; [O-][N+](=O)C1C(=O)NC(=O)
    N(C1)C2OC(C(O)C2)COP(=O)(O)O    		 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE
    34553
    NDV
    ZINC000095921040    		 2 C16 H21 N3 O4 S InChI=1S/C16H21N3O4S/c1-1
    6(2)12(15(22)23)19-14(24-
    16)10(8-20)18-13(21)11(17
    )9-6-4-3-5-7-9/h3-8,10-12
    ,14,19H,17H2,1-2H3,(H,18,
    21)(H,22,23)/t10-,11-,12+
    ,14+/m1/s1;
    WHAIWIUXAXKSOT-NMKXLXIOSA-N    		 CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)N)C(=
    O)O)C; CC1([C@@H](N[C@@H](S1)[C@@H](C=O)
    NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C; O=C(NC
    (C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N;
    CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH
    ](N)c2ccccc2)C=O; CC1(C)S[C@H](N[C@H]1C(
    O)=O)[C@H](NC(=O)[C@H](N)c2ccccc2)C=O    		 (2S,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    34554
    NDW    		 1 C21 H30 N7 O17 P3 InChI=1S/C21H30N7O17P3/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(44-46(33,34
    )35)14(30)11(43-21)6-41-4
    8(38,39)45-47(36,37)40-5-
    10-13(29)15(31)20(42-10)2
    7-3-1-2-9(4-27)18(23)32/h
    1,3-4,7-8,10-11,13-16,20-
    21,29-31H,2,5-6H2,(H2,23,
    32)(H,36,37)(H,38,39)(H2,
    22,24,25)(H2,33,34,35)/t1
    0-,11-,13-,14-,15-,16-,20
    +,21-/m1/s1;
    ACFIXJIJDZMPPO-OPDHFMQKSA-N    		 NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O
    )O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)
    =O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
    ; NC(=O)C1=CN(C=CC1)[C@H]2O[C@H](CO[P](O
    )(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O[P
    ](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@
    H](O)[C@H]2O; c1nc(c2c(n1)n(cn2)C3C(C(C(
    O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=C
    CC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N; c1nc(c
    2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3
    )COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]
    ([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O
    )(O)O)N    		 alpha-NADPH;
    [[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
    34555
    NDX    		 1 C44 H66 N9 O19 P3 InChI=1S/C44H66N9O19P3/c1
    -42(2,3)51-39(59)26-8-7-2
    4-21-6-9-29-44(5,25(21)10
    -12-43(24,26)4)14-22(38(5
    8)50-29)20-11-13-52(15-23
    (20)36(46)57)40-33(56)31(
    54)27(69-40)16-67-74(63,6
    4)72-75(65,66)68-17-28-32
    (55)34(71-73(60,61)62)41(
    70-28)53-19-49-30-35(45)4
    7-18-48-37(30)53/h11,13,1
    5,18-22,24-29,31-34,40-41
    ,54-56H,6-10,12,14,16-17H
    2,1-5H3,(H2,46,57)(H,50,5
    8)(H,51,59)(H,63,64)(H,65
    ,66)(H2,45,47,48)(H2,60,6
    1,62)/t20-,21+,22+,24+,25
    +,26-,27-,28-,29-,31-,32-
    ,33-,34-,40-,41-,43+,44-/
    m1/s1;
    SBPCUEDRMWGINQ-DAPYLVMHSA-N    		 CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC
    (=O)[CH](C[C]4(C)[CH]3CC[C]12C)[CH]5C=CN
    (C=C5C(N)=O)[CH]6O[CH](CO[P](O)(=O)O[P](
    O)(=O)OC[CH]7O[CH]([CH](O[P](O)(O)=O)[CH
    ]7O)n8cnc9c(N)ncnc89)[CH](O)[CH]6O; CC12
    CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(CC(C(=
    O)N4)C5C=CN(C=C5C(=O)N)C6C(C(C(O6)COP(=O
    )(O)OP(=O)(O)OCC7C(C(C(O7)n8cnc9c8ncnc9N
    )OP(=O)(O)O)O)O)O)C; C[C@]12CC[C@H]3[C@H
    ]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H
    ]4[C@@]3(C[C@H](C(=O)N4)C5C=CN(C=C5C(=O)
    N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O
    )OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7
    )n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C; CC(C
    )(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N
    C(=O)[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)[C@
    H]5C=CN(C=C5C(N)=O)[C@@H]6O[C@H](CO[P](O
    )(=O)O[P](O)(=O)OC[C@H]7O[C@H]([C@H](O[P
    ](O)(O)=O)[C@@H]7O)n8cnc9c(N)ncnc89)[C@@
    H](O)[C@H]6O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
    34556
    NDY
    CHEMBL3233398
    ZINC000098209218    		 1 C15 H18 O6 InChI=1S/C15H18O6/c16-11(
    6-9-4-2-1-3-5-9)10-7-15(2
    1,14(19)20)8-12(17)13(10)
    18/h1-5,7,11-13,16-18,21H
    ,6,8H2,(H,19,20)/t11-,12-
    ,13-,15+/m1/s1;
    TUXIFONUTATTJM-BHPKHCPMSA-N    		 O=C(O)C2(O)C=C(C(O)Cc1ccccc1)C(O)C(O)C2;
    O[CH]1C[C](O)(C=C([CH](O)Cc2ccccc2)[CH]
    1O)C(O)=O; c1ccc(cc1)C[C@H](C2=C[C@](C[C
    @H]([C@@H]2O)O)(C(=O)O)O)O; O[C@@H]1C[C@
    @](O)(C=C([C@H](O)Cc2ccccc2)[C@H]1O)C(O)
    =O; c1ccc(cc1)CC(C2=CC(CC(C2O)O)(C(=O)O)
    O)O    		 (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
    34557
    NDZ
    CHEMBL221868
    ZINC000035838253    		 5 C11 H17 N O8 InChI=1S/C11H17NO8/c12-4(
    9(15)16)1-11(10(17)18)2-6
    -8(20-11)7(14)5(13)3-19-6
    /h4-8,13-14H,1-3,12H2,(H,
    15,16)(H,17,18)/t4-,5+,6+
    ,7+,8-,11+/m0/s1;
    NRTJEXLNSCGBJU-FQYLSUDWSA-N    		 C1C2C(C(C(CO2)O)O)OC1(CC(C(=O)O)N)C(=O)O
    ; C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)
    O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O; N[C@@H]
    (C[C@@]1(C[C@H]2OC[C@@H](O)[C@@H](O)[C@H
    ]2O1)C(O)=O)C(O)=O; O=C(O)C(N)CC2(OC1C(O
    CC(O)C1O)C2)C(=O)O; N[CH](C[C]1(C[CH]2OC
    [CH](O)[CH](O)[CH]2O1)C(O)=O)C(O)=O    		 (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid
    34558
    NE0    		 1 C9 H16 N2 O18 P4 InChI=1S/C9H16N2O18P4/c12
    -5-1-2-11(9(14)10-5)8-7(2
    7-30(15,16)17)6(13)4(26-8
    )3-25-32(21,22)29-33(23,2
    4)28-31(18,19)20/h1-2,4,6
    -8,13H,3H2,(H,21,22)(H,23
    ,24)(H,10,12,14)(H2,15,16
    ,17)(H2,18,19,20)/t4-,6-,
    7-,8-/m1/s1;
    OATQDFNIQGUFQP-XVFCMESISA-N    		 O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O
    )(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O
    )NC2=O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(
    =O)(O)OP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O;
    C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OP
    (=O)(O)O; O[C@@H]1[C@@H](CO[P](O)(=O)O[P
    ](O)(=O)O[P](O)(O)=O)O[C@H]([C@@H]1O[P](
    O)(O)=O)N2C=CC(=O)NC2=O    		 [[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    34559
    NE1
    CHEMBL1234676    		 2 C12 H5 Cl5 O InChI=1S/C12H5Cl5O/c13-7-
    2-1-6(10(16)11(7)17)5-3-8
    (14)12(18)9(15)4-5/h1-4,1
    8H;
    YICLFMBHTHJFHZ-UHFFFAOYSA-N    		 Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl; Clc
    2ccc(c1cc(Cl)c(O)c(Cl)c1)c(Cl)c2Cl; c1cc
    (c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl    		 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL
    34560
    NE2
    CHEMBL1234677
    ZINC000006092189    		 2 C12 H6 Cl4 O InChI=1S/C12H6Cl4O/c13-8-
    2-1-6(3-9(8)14)7-4-10(15)
    12(17)11(16)5-7/h1-5,17H;
    RQGVZEFZWFEKQR-UHFFFAOYSA-N    		 Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)cc2Cl; c1cc(
    c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl; Oc1c(Cl)
    cc(cc1Cl)c2ccc(Cl)c(Cl)c2    		 3,3',4',5-TETRACHLOROBIPHENYL-4-OL
    34561
    NE3
    CHEMBL5592363    		 1 C20 H20 F N5 O InChI=1S/C20H20FN5O/c21-1
    8-11-14(1-5-17(18)15-2-3-
    15)12-20(27)26-9-7-25(8-1
    0-26)19-6-4-16(13-22)23-2
    4-19/h1,4-6,11,15H,2-3,7-
    10,12H2;
    SDZXVXWCRYXAOH-UHFFFAOYSA-N    		 O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(
    C#N)nn1; Fc1cc(CC(=O)N2CCN(CC2)c3ccc(nn3
    )C#N)ccc1C4CC4; c1cc(c(cc1CC(=O)N2CCN(CC
    2)c3ccc(nn3)C#N)F)C4CC4    		 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
    34562
    NE4
    CHEMBL489140
    ZINC000004102257    		 2 C20 H30 O2 InChI=1S/C20H30O2/c1-13-1
    1-20-10-7-15-18(2,16(20)6
    -5-14(13)12-20)8-4-9-19(1
    5,3)17(21)22/h14-16H,1,4-
    12H2,2-3H3,(H,21,22)/t14-
    ,15+,16+,18-,19-,20-/m1/s
    1;
    NIKHGUQULKYIGE-OTCXFQBHSA-N    		 C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[
    C@H](C3)C(=C)C4)(C)C(=O)O; C324C(C1(CCCC
    (C(O)=O)(C1CC2)C)C)CCC(C3)/C(=C)C4; CC12
    CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O;
    C[C@@]12CCC[C@](C)([C@H]1CC[C@@]34C[C@@H
    ](CC[C@@H]23)C(=C)C4)C(O)=O; C[C]12CCC[C
    ](C)([CH]1CC[C]34C[CH](CC[CH]23)C(=C)C4)
    C(O)=O    		 (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid;
    ent-kaurenoic acid
    34563
    NE5    		 1 C24 H16 N2 O8 InChI=1S/C24H16N2O8/c27-1
    8-11-10-16(12-17(18)24(31
    )32)25-20(13-6-8-15(9-7-1
    3)26(33)34)19(22(29)23(25
    )30)21(28)14-4-2-1-3-5-14
    /h1-12,20,27,29H,(H,31,32
    )/q+1/t20-/m1/s1;
    JFULNDGRPQGBFO-HXUWFJFHSA-N    		 c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[
    N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O; OC(=O)c
    1cc(ccc1O)N2[C@H](c3ccc(cc3)[N+](=O)=O)C
    (=C(O)C2=O)C(=O)c4ccccc4; OC(=O)c1cc(ccc
    1O)N2[CH](c3ccc(cc3)[N+](=O)=O)C(=C(O)C2
    =O)C(=O)c4ccccc4; c1ccc(cc1)C(=O)C2=C(C(
    =O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c
    (c4)C(=O)O)O)O    		 5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
    34564
    NE6    		 6 C23 H31 N O6 InChI=1S/C23H31NO6/c1-6-9
    -15(2)11-12-17(4)21(26)20
    -18(25)14-19(30-22(20)27)
    16(3)10-7-8-13-24-23(28)2
    9-5/h11-14,16,20H,6-10H2,
    1-5H3/b15-11+,17-12+,24-1
    3+/t16-,20?/m1/s1;
    LTDLIPXLSBMTFP-FSAISGGASA-N    		 CCCC(C)=CC=C(C)C(=O)[CH]1C(=O)OC(=CC1=O)
    [CH](C)CCCC=NC(=O)OC; CCCC(/C)=C/C=C(C)/
    C(=O)[C@H]1C(=O)OC(=CC1=O)[C@H](C)CCCC=N
    C(=O)OC; CCC/C(=C/C=C(\C)/C(=O)C1C(=O)C=
    C(OC1=O)[C@H](C)CCC\C=N\C(=O)OC)/C; O=C(
    \C(=C\C=C(/C)CCC)C)C1C(=O)C=C(OC1=O)C(C)
    CCC\C=N\C(=O)OC; CCCC(=CC=C(C)C(=O)C1C(=
    O)C=C(OC1=O)C(C)CCCC=NC(=O)OC)C    		 methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate
    34565
    NE7
    CHEMBL4456326    		 2 C30 H42 N2 O8 S InChI=1S/C30H42N2O8S/c1-4
    -20(2)17-32(41(36,37)24-1
    2-10-23(11-13-24)21(3)33)
    18-27(34)26(16-22-8-6-5-7
    -9-22)31-30(35)40-28-19-3
    9-29-25(28)14-15-38-29/h5
    -13,20-21,25-29,33-34H,4,
    14-19H2,1-3H3,(H,31,35)/t
    20-,21+,25-,26-,27+,28-,2
    9+/m0/s1;
    SPEKXEILCYOTSL-COKGOQGVSA-N    		 CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N
    C(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(
    =O)c4ccc(cc4)[C@@H](C)O; CCC(C)CN(CC(C(C
    c1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)
    c4ccc(cc4)C(C)O; C(C(Cc1ccccc1)NC(OC2C3C
    (OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C
    )O)(=O)=O)O; CC[C@H](C)CN(C[C@H]([C@H](C
    c1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO
    3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O; CC[CH
    ](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH
    ]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)
    [CH](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
    34566
    NE8
    DB08267
    ZINC000033836604    		 5 C17 H15 N5 O InChI=1S/C17H15N5O/c18-17
    -21-14-11(7-6-10-4-2-1-3-
    5-10)15-13(19-9-20-15)8-1
    2(14)16(23)22-17/h1-5,8-9
    H,6-7H2,(H,19,20)(H3,18,2
    1,22,23);
    PBZAIUVFRISTSZ-UHFFFAOYSA-N    		 c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]c
    n3; NC1=Nc2c(CCc3ccccc3)c4nc[nH]c4cc2C(=
    O)N1; O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccccc
    4)N    		 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
    34567
    NE9    		 1 C22 H29 Cl2 N3 O3 InChI=1S/C22H29Cl2N3O3/c2
    3-15-19(28)25-18-13-21(14
    -18)5-9-27(10-6-21)20(29)
    22(7-11-30-12-8-22)26-17-
    3-1-16(24)2-4-17/h1-4,18,
    26H,5-15H2,(H,25,28);
    BCCVMEZMRYSIML-UHFFFAOYSA-N    		 c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC4(CC3)CC(C
    4)NC(=O)CCl)Cl; ClCC(=O)NC1CC2(CCN(CC2)C
    (=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1    		 2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide
    34568
    NEA
    CHEMBL563938
    ZINC000005941246    		 14 C12 H18 N6 O3 S InChI=1S/C12H18N6O3S/c13-
    1-2-22-3-6-8(19)9(20)12(2
    1-6)18-5-17-7-10(14)15-4-
    16-11(7)18/h4-6,8-9,12,19
    -20H,1-3,13H2,(H2,14,15,1
    6)/t6-,8-,9-,12-/m1/s1;
    APAPOJUCRZTCHD-WOUKDFQISA-N    		 NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc
    3c(N)ncnc23; c1nc(c2c(n1)n(cn2)[C@H]3[C@
    @H]([C@@H]([C@H](O3)CSCCN)O)O)N; n2c1c(n
    cnc1n(c2)C3OC(C(O)C3O)CSCCN)N; c1nc(c2c(
    n1)n(cn2)C3C(C(C(O3)CSCCN)O)O)N; NCCSC[C
    H]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23    		 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE
    34569
    NEB    		 0 C6 H15 N2 O3 InChI=1S/C6H14N2O3/c7-2-1
    -3(8)5(10)6(11)4(2)9/h2-6
    ,9-11H,1,7-8H2/p+1/t2-,3+
    ,4+,5-,6-;
    DTFAJAKTSMLKAT-JDCCYXBGSA-O    		 C1C(C(C(C(C1N)O)O)O)[NH3+]; N[CH]1C[CH](
    [NH3+])[CH](O)[CH](O)[CH]1O; N[C@H]1C[C@
    @H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O; OC
    1C(N)CC(C(O)C1O)[NH3+]; C1[C@H]([C@@H]([
    C@H]([C@@H]([C@H]1N)O)O)O)[NH3+]    		 2-DEOXY-D-STREPTAMINE
    34570
    NEC
    CHEMBL464859
    ZINC000003995401    		 11 C12 H16 N6 O4 InChI=1S/C12H16N6O4/c1-2-
    14-11(21)8-6(19)7(20)12(2
    2-8)18-4-17-5-9(13)15-3-1
    6-10(5)18/h3-4,6-8,12,19-
    20H,2H2,1H3,(H,14,21)(H2,
    13,15,16)/t6-,7+,8-,12+/m
    0/s1;
    JADDQZYHOWSFJD-FLNNQWSLSA-N    		 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2
    cnc3c(N)ncnc23; CCNC(=O)[C@@H]1[C@H]([C@
    H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; CCNC(=O
    )C1C(C(C(O1)n2cnc3c2ncnc3N)O)O; O=C(NCC)
    C3OC(n2cnc1c(ncnc12)N)C(O)C3O; CCNC(=O)[
    CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23    		 N-ETHYL-5'-CARBOXAMIDO ADENOSINE
    34571
    NED    		 0 C6 H16 N2 O4 InChI=1/C6H14N2O4/c7-1-2-
    4(9)5(10)3(8)6(11)12-2/h2
    -6,9-11H,1,7-8H2/p+2/t2-,
    3+,4+,5+,6-/m0/s1/fC6H16N
    2O4/h7-8H/q+2;
    SQTHUUHOUPJYLK-QFMCUJGMDC    		 [NH3+]C[CH]1O[CH](O)[CH]([NH3+])[CH](O)[
    CH]1O; C([C@H]1[C@H]([C@@H]([C@H]([C@H](
    O1)O)[NH3+])O)O)[NH3+]; [NH3+]C[C@@H]1O[
    C@H](O)[C@H]([NH3+])[C@@H](O)[C@@H]1O; C
    (C1C(C(C(C(O1)O)[NH3+])O)O)[NH3+]; OC1C(
    O)C(OC(O)C1[NH3+])C[NH3+]    		 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE
    34572
    NEE
    CHEMBL2326053
    ZINC000095581655    		 1 C18 H17 Cl N2 O InChI=1S/C18H17ClN2O/c1-1
    3-8-17(9-14(2)18(13)19)22
    -16-5-3-4-15(10-16)11-21-
    7-6-20-12-21/h3-10,12H,11
    H2,1-2H3;
    KRDUMXYLMIWMMP-UHFFFAOYSA-N    		 Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3; Cc1
    cc(Oc2cccc(Cn3ccnc3)c2)cc(C)c1Cl; Clc3c(
    cc(Oc1cc(ccc1)Cn2ccnc2)cc3C)C    		 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole
    34573
    NEF    		 3 C21 H18 N4 O9 S2 InChI=1S/C21H18N4O9S2/c26
    -16(9-14-2-1-7-35-14)22-1
    8(21(29)30)19-23-17(20(27
    )28)12(10-36-19)4-3-11-5-
    6-13(24(31)32)8-15(11)25(
    33)34/h1-8,18-19,23H,9-10
    H2,(H,22,26)(H,27,28)(H,2
    9,30)/b4-3+/t18-,19+/m0/s
    1;
    PYBZXZZHQKFSGC-CZHQAMEJSA-N    		 OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2
    )C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C
    (O)=O; c1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=C
    c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)
    O)C(=O)O; c1cc(sc1)CC(=O)N[C@@H]([C@@H]2
    NC(=C(CS2)/C=C/c3ccc(cc3[N+](=O)[O-])[N+
    ](=O)[O-])C(=O)O)C(=O)O; OC(=O)[C@@H](NC
    (=O)Cc1sccc1)[C@@H]2NC(=C(CS2)\C=C\c3ccc
    (cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O    		 Nitrocefin - open form;
    (2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    34574
    NEG
    CHEMBL78628    		 0 C9 H20 N4 O4 InChI=1S/C9H20N4O4/c1-13(
    5-9(16)17)12-8(15)3-6(11)
    2-7(14)4-10/h6-7,14H,2-5,
    10-11H2,1H3,(H,12,15)(H,1
    6,17)/t6-,7-/m1/s1;
    IKHFJPZQZVMLRH-RNFRBKRXSA-N    		 O=C(O)CN(NC(=O)CC(N)CC(O)CN)C; C[N@@](CC
    (=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N; CN(CC
    (O)=O)NC(=O)C[C@H](N)C[C@@H](O)CN; CN(CC
    (O)=O)NC(=O)C[CH](N)C[CH](O)CN; CN(CC(=O
    )O)NC(=O)CC(CC(CN)O)N    		 NEGAMYCIN;
    3,6-DIAMINO-1-[2-(CARBOXYMETHYL)-2-METHYLHYDRAZINO]-2,3,4,6-TETRADEOXY-L-THREO-HEXOSE
    34575
    NEH
    CHEMBL14449    		 23 C2 H7 N InChI=1S/C2H7N/c1-2-3/h2-
    3H2,1H3;
    QUSNBJAOOMFDIB-UHFFFAOYSA-N    		 CCN; NCC ETHANAMINE
    34576
    NEI
    ZINC000016052106    		 2 C12 H15 I N6 O4 InChI=1S/C12H15IN6O4/c1-2
    -15-10(22)7-5(20)6(21)11(
    23-7)19-3-16-4-8(14)17-12
    (13)18-9(4)19/h3,5-7,11,2
    0-21H,2H2,1H3,(H,15,22)(H
    2,14,17,18)/t5-,6+,7-,11+
    /m0/s1;
    YEBHQRSEUJCFMN-QMWPFBOUSA-N    		 CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2c
    nc3c2nc(nc3N)I)O)O; CCNC(=O)C1C(C(C(O1)n
    2cnc3c2nc(nc3N)I)O)O; Ic1nc(c2ncn(c2n1)C
    3OC(C(=O)NCC)C(O)C3O)N; CCNC(=O)[CH]1O[C
    H]([CH](O)[CH]1O)n2cnc3c(N)nc(I)nc23; CC
    NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cn
    c3c(N)nc(I)nc23    		 (2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE
    34577
    NEJ
    CHEMBL4441340    		 2 C30 H42 N2 O8 S InChI=1S/C30H42N2O8S/c1-4
    -20(2)17-32(41(36,37)24-1
    2-10-23(11-13-24)21(3)33)
    18-27(34)26(16-22-8-6-5-7
    -9-22)31-30(35)40-28-19-3
    9-29-25(28)14-15-38-29/h5
    -13,20-21,25-29,33-34H,4,
    14-19H2,1-3H3,(H,31,35)/t
    20-,21-,25-,26-,27+,28-,2
    9+/m0/s1;
    SPEKXEILCYOTSL-DYJPOHNRSA-N    		 CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C
    CO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; CC[C@H](
    C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C
    @H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4ccc
    (cc4)[C@H](C)O; C(C(Cc1ccccc1)NC(OC2C3C(
    OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C)
    O)(=O)=O)O; CC[C@H](C)CN(C[C@H]([C@H](Cc
    1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3
    )O)S(=O)(=O)c4ccc(cc4)[C@H](C)O; CC[CH](
    C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2
    CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[C
    H](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
    34578
    NEK
    CHEMBL4761303    		 0 C10 H11 N O4 InChI=1S/C10H11NO4/c12-9-
    3-1-8(2-4-9)7-11-15-6-5-1
    0(13)14/h1-4,7,12H,5-6H2,
    (H,13,14)/b11-7+;
    RWWIOUDUCKNDSJ-YRNVUSSQSA-N    		 c1cc(ccc1C=NOCCC(=O)O)O; OC(=O)CCON=Cc1c
    cc(O)cc1; c1cc(ccc1/C=N/OCCC(=O)O)O; OC(
    =O)CCO\N=C\c1ccc(O)cc1    		 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
    34579
    NEL    		 1 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c16-
    11-4-1-3-10(7-11)8-15(20)
    18-13-5-2-6-14-12(13)9-17
    -19-14/h1-7,9H,8H2,(H,17,
    19)(H,18,20);
    CYQCEAJKJVOFMS-UHFFFAOYSA-N    		 Clc1cccc(c1)CC(=O)Nc1cccc2[NH]ncc12; c1c
    c(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3; Clc1
    cccc(CC(=O)Nc2cccc3[nH]ncc23)c1    		 2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide
    34580
    NEM
    CHEMBL1233327
    DB04151    		 0 C7 H11 N3 O2 InChI=1/C7H11N3O2/c1-10-3
    -5(9-4-10)2-6(8)7(11)12/h
    3-4,6H,2,8H2,1H3,(H,11,12
    )/t6-/m0/s1/f/h11H;
    BRMWTNUJHUMWMS-LBISWHJPDF    		 Cn1cc(nc1)CC(C(=O)O)N; Cn1cnc(C[CH](N)C(
    O)=O)c1; Cn1cc(nc1)C[C@@H](C(=O)O)N; Cn1
    cnc(C[C@H](N)C(O)=O)c1; O=C(O)C(N)Cc1ncn
    (c1)C    		 NE2-METHYLATED HISTIDINE
    34581
    NEN
    DB01902
    ZINC000001670837    		 17 C6 H9 N O2 InChI=1S/C6H9NO2/c1-2-7-5
    (8)3-4-6(7)9/h2-4H2,1H3;
    GHAZCVNUKKZTLG-UHFFFAOYSA-N    		 CCN1C(=O)CCC1=O; O=C1N(C(=O)CC1)CC 1-ETHYL-PYRROLIDINE-2,5-DIONE
    34582
    NEO
    DB02385
    ZINC000018169010    		 1 C9 H11 N5 O4 InChI=1S/C9H11N5O4/c10-9-
    13-7-5(8(18)14-9)12-3(1-1
    1-7)6(17)4(16)2-15/h1,4,6
    ,15-17H,2H2,(H3,10,11,13,
    14,18)/t4-,6-/m1/s1;
    BMQYVXCPAOLZOK-INEUFUBQSA-N    		 c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO)
    O)O; c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O;
    NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)CO;
    NC1=Nc2ncc(nc2C(=O)N1)[C@@H](O)[C@H](O)
    CO; O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO    		 NEOPTERIN
    34583
    NEP    		 0 C6 H10 N3 O5 P InChI=1S/C6H10N3O5P/c7-5(
    6(10)11)1-4-2-9(3-8-4)15(
    12,13)14/h2-3,5H,1,7H2,(H
    ,10,11)(H2,12,13,14)/t5-/
    m0/s1;
    MOYPZVWCTBPWEH-YFKPBYRVSA-N    		 O=P(O)(O)n1cc(nc1)CC(C(=O)O)N; N[CH](Cc1
    cn(cn1)[P](O)(O)=O)C(O)=O; c1c(ncn1P(=O)
    (O)O)CC(C(=O)O)N; c1c(ncn1P(=O)(O)O)C[C@
    @H](C(=O)O)N; N[C@@H](Cc1cn(cn1)[P](O)(O
    )=O)C(O)=O    		 N1-PHOSPHONOHISTIDINE
    34584
    NEQ
    CHEMBL8211
    DB02967
    ZINC000000901367    		 11 C6 H7 N O2 InChI=1S/C6H7NO2/c1-2-7-5
    (8)3-4-6(7)9/h3-4H,2H2,1H
    3;
    HDFGOPSGAURCEO-UHFFFAOYSA-N    		 CCN1C(=O)C=CC1=O; O=C1C=CC(=O)N1CC N-ETHYLMALEIMIDE
    34585
    NER
    CHEMBL1173379
    ZINC000006920440    		 0 C24 H46 O2 InChI=1S/C24H46O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18-19-20-21-22
    -23-24(25)26/h9-10H,2-8,1
    1-23H2,1H3,(H,25,26)/b10-
    9-;
    GWHCXVQVJPWHRF-KTKRTIGZSA-N    		 CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O; CCCCCC
    CCC=CCCCCCCCCCCCCCC(=O)O; CCCCCCCC\C=C/C
    CCCCCCCCCCCCC(=O)O; CCCCCCCCC=CCCCCCCCCC
    CCCCC(O)=O; O=C(O)CCCCCCCCCCCCC\C=C/CCCC
    CCCC    		 (15E)-TETRACOS-15-ENOIC ACID;
    CIS-15-TETRACOSENOIC ACID
    34586
    NES
    DB02371
    ZINC000001530141    		 7 C6 H15 N O6 S InChI=1S/C6H15NO6S/c8-3-6
    (4-9,5-10)7-1-2-14(11,12)
    13/h7-10H,1-5H2,(H,11,12,
    13);
    JOCBASBOOFNAJA-UHFFFAOYSA-N    		 O=S(=O)(O)CCNC(CO)(CO)CO; C(CS(=O)(=O)O)
    NC(CO)(CO)CO; OCC(CO)(CO)NCC[S](O)(=O)=O    		 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID
    34587
    NET
    CHEMBL9324
    DB08837
    ZINC000000896981    		 0 C8 H20 N InChI=1S/C8H20N/c1-5-9(6-
    2,7-3)8-4/h5-8H2,1-4H3/q+
    1;
    CBXCPBUEXACCNR-UHFFFAOYSA-N    		 CC[N+](CC)(CC)CC TETRAETHYLAMMONIUM ION
    34588
    NEU
    DB15050
    ZINC000012428336    		 11 C9 H11 N5 O4 InChI=1S/C9H11N5O4/c10-9-
    13-7-5(8(18)14-9)12-3(1-1
    1-7)6(17)4(16)2-15/h1,4,6
    ,15-17H,2H2,(H3,10,11,13,
    14,18)/t4-,6+/m1/s1;
    BMQYVXCPAOLZOK-XINAWCOVSA-N    		 NC1=Nc2ncc(nc2C(=O)N1)[C@H](O)[C@H](O)CO
    ; c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O; c1
    c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O
    )O; NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)
    CO; O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO    		 L-NEOPTERIN;
    2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE
    34589
    NEV
    CHEMBL57
    DB00238    		 0 C15 H14 N4 O InChI=1/C15H14N4O/c1-9-6-
    8-17-14-12(9)18-15(20)11-
    3-2-7-16-13(11)19(14)10-4
    -5-10/h2-3,6-8,10H,4-5H2,
    1H3,(H,18,20)/f/h18H;
    NQDJXKOVJZTUJA-GPQMBLKYCB    		 Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12; O=C2N
    c1c(ccnc1N(c3ncccc23)C4CC4)C; Cc1ccnc2c1
    NC(=O)c3cccnc3N2C4CC4    		 NEVIRAPINE
    34590
    NEW
    CHEMBL83116
    DB03346    		 0 C12 H6 Cl4 O2 InChI=1/C12H6Cl4O2/c13-7-
    1-5(2-8(14)11(7)17)6-3-9(
    15)12(18)10(16)4-6/h1-4,1
    7-18H;
    YCYDXOVJXVALHY-UHFFFAOYAL    		 Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2; c1
    c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl; Oc
    1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2    		 3,3',5,5'-TETRACHLOROBIPHENYL-4,4'-DIOL
    34591
    NEX    		 0 C40 H56 O4 InChI=1S/C40H56O4/c1-29(1
    7-13-19-31(3)21-22-35-36(
    5,6)25-33(41)27-38(35,9)4
    3)15-11-12-16-30(2)18-14-
    20-32(4)23-24-40-37(7,8)2
    6-34(42)28-39(40,10)44-40
    /h11-21,23-24,33-34,41-43
    H,25-28H2,1-10H3/b12-11+,
    17-13+,18-14+,24-23+,29-1
    5+,30-16+,31-19+,32-20-/t
    22-,33-,34-,38+,39+,40-/m
    0/s1;
    PGYAYSRVSAJXTE-OQASCVKESA-N    		 CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)
    O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)
    (C)C; CC(=CC=CC=C(C)C=CC=C(C)[CH]=[C]=[C
    ]1C(C)(C)C[CH](O)C[C]1(C)O)C=CC=C(C)C=C[
    C]23O[C]2(C)C[CH](O)CC3(C)C; CC(=C/C=C/C
    =C(C)/C=C/C=C(C)/[CH]=[C@@]=[C]1C(C)(C)C
    [C@H](O)C[C@@]1(C)O)\C=C\C=C(C)/C=C/[C@@
    ]23O[C@]2(C)C[C@@H](O)CC3(C)C; OC3CC(\C(
    =C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C
    \C12OC2(C)CC(O)CC1(C)C)C)C)C)C)C(O)(C)C3
    )(C)C; C\C(=C/C=C/C=C(\C)/C=C/C=C(C)C=C=
    C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)\C=C\C=C(
    \C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C
    )C    		 (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL;
    (3S,5R,6R,3'S,5'R,6'S)-5',6'-EPOXY-6,7-DIDEHYDRO- 5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-3,5,3'-TRIOL;
    9'-CIS-NEOXANTHIN
    34592
    NEZ
    DB08268
    ZINC000016051686    		 3 C18 H17 N5 O InChI=1S/C18H17N5O/c1-10-
    2-4-11(5-3-10)6-7-12-15-1
    3(17(24)23-18(19)22-15)8-
    14-16(12)21-9-20-14/h2-5,
    8-9H,6-7H2,1H3,(H,20,21)(
    H3,19,22,23,24);
    SPVJRTJUEVXOMS-UHFFFAOYSA-N    		 Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]
    cn3; O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(cc
    4)C)N; Cc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=
    Nc24)N)cc1    		 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
    34593
    NF    		 0 C31 H30 N4 O4 InChI=1S/C31H28N4O4/c36-2
    8-22-10-1-6-20-7-2-11-23(
    26(20)22)29(37)34(28)18-1
    6-32-14-5-15-33-17-19-35-
    30(38)24-12-3-8-21-9-4-13
    -25(27(21)24)31(35)39/h1-
    4,6-13,32-33H,5,14-19H2/p
    +2;
    QUNOQBDEVTWCTA-UHFFFAOYSA-P    		 O=C1N(CC[NH2+]CCC[NH2+]CCN2C(=O)c3cccc4c
    ccc(C2=O)c34)C(=O)c5cccc6cccc1c56; O=C3c
    1c2c(ccc1)cccc2C(=O)N3CC[NH2+]CCC[NH2+]C
    CN6C(=O)c5cccc4cccc(c45)C6=O; c1cc2cccc3
    c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4
    C(=O)c5cccc6c5c(ccc6)C4=O    		 N,N'-(3,7-DIAZANONYLENE)-BIS-NAPHTHALIMIDE;
    LU-79553
    34594
    NF0
    CHEMBL494005
    ZINC000001665979    		 24 C11 H14 O5 InChI=1S/C11H14O5/c1-2-3-
    4-16-11(15)7-5-8(12)10(14
    )9(13)6-7/h5-6,12-14H,2-4
    H2,1H3;
    XOPOEBVTQYAOSV-UHFFFAOYSA-N    		 CCCCOC(=O)c1cc(c(c(c1)O)O)O; CCCCOC(=O)c
    1cc(O)c(O)c(O)c1    		 butyl 3,4,5-tris(oxidanyl)benzoate;
    butyl gallate
    34595
    NF1
    CHEMBL4592668
    ZINC000224698038    		 1 C18 H16 N4 O2 S InChI=1S/C18H16N4O2S/c1-1
    1-20-21-15(25-11)10-19-8-
    9-22-17(23)13-6-2-4-12-5-
    3-7-14(16(12)13)18(22)24/
    h2-7,19H,8-10H2,1H3;
    YHPDOCZSFWEMOD-UHFFFAOYSA-N    		 O=C3c1c2c(ccc1)cccc2C(=O)N3CCNCc4nnc(s4)
    C; Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4)
    C2=O; Cc1sc(CNCCN2C(=O)c3cccc4cccc(C2=O)
    c34)nn1    		 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
    34596
    NF2
    ZINC000058638767    		 0 C12 H15 F2 O7 P InChI=1S/C12H15F2O7P/c1-5
    -2-6(8(14)3-7(5)13)12-11(
    16)10(15)9(21-12)4-20-22(
    17,18)19/h2-3,9-12,15-16H
    ,4H2,1H3,(H2,17,18,19)/t9
    -,10-,11-,12+/m1/s1;
    DMROPYMHNVLDPZ-KKOKHZNYSA-N    		 Cc1cc([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[C
    H]2O)c(F)cc1F; Cc1cc([C@@H]2O[C@H](CO[P]
    (O)(O)=O)[C@@H](O)[C@H]2O)c(F)cc1F; O=P(
    OCC2OC(c1cc(c(F)cc1F)C)C(O)C2O)(O)O; Cc1
    cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2
    )COP(=O)(O)O)O)O; Cc1cc(c(cc1F)F)C2C(C(C
    (O2)COP(=O)(O)O)O)O    		 (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-METHYLPHENYL)-5-O-PHOSPHONO-D-RIBITOL
    34597
    NF3
    ZINC000100004911    		 2 C6 H8 O4 InChI=1S/C6H8O4/c1-2-10-6
    (9)4-3-5(7)8/h3-4H,2H2,1H
    3,(H,7,8)/b4-3-;
    XLYMOEINVGRTEX-ARJAWSKDSA-N    		 CCOC(=O)C=CC(O)=O; CCOC(=O)C=CC(=O)O; CC
    OC(=O)/C=C\C(=O)O; CCOC(=O)\C=C/C(O)=O    		 (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid
    34598
    NF4
    CHEMBL4570309    		 2 C31 H44 N2 O8 S InChI=1S/C31H44N2O8S/c1-4
    -22(5-2)18-33(42(37,38)25
    -13-11-24(12-14-25)21(3)3
    4)19-28(35)27(17-23-9-7-6
    -8-10-23)32-31(36)41-29-2
    0-40-30-26(29)15-16-39-30
    /h6-14,21-22,26-30,34-35H
    ,4-5,15-20H2,1-3H3,(H,32,
    36)/t21-,26-,27-,28+,29-,
    30+/m0/s1;
    QJTBJHOQMPDSSA-ACNJIEPASA-N    		 CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=
    O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)
    c4ccc(cc4)[C@H](C)O; C(C)C(CN(CC(C(Cc1cc
    ccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C
    (C)O)(=O)=O)CC; CCC(CC)CN(C[CH](O)[CH](C
    c1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S
    ](=O)(=O)c4ccc(cc4)[CH](C)O; CCC(CC)CN(C
    C(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O
    )(=O)c4ccc(cc4)C(C)O; CCC(CC)CN(C[C@H]([
    C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@
    H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
    34599
    NF5
    CHEMBL3355057
    ZINC000213028927    		 6 C17 H17 Br N2 O InChI=1S/C17H17BrN2O/c18-
    15-4-1-13(2-5-15)17(21)20
    -16-6-3-12-7-9-19-10-8-14
    (12)11-16/h1-6,11,19H,7-1
    0H2,(H,20,21);
    YMOUEQZHQYODQT-UHFFFAOYSA-N    		 Brc1ccc(cc1)C(=O)Nc2ccc3CCNCCc3c2; c1cc(
    ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br; Brc1ccc(
    cc1)C(=O)Nc2cc3c(cc2)CCNCC3    		 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
    34600
    NF6
    CHEMBL4544229
    ZINC000224698099    		 1 C20 H21 N5 O2 S InChI=1S/C20H21N5O2S/c1-1
    2-22-23-17(28-12)11-21-9-
    10-25-19(26)14-6-4-5-13-1
    6(24(2)3)8-7-15(18(13)14)
    20(25)27/h4-8,21H,9-11H2,
    1-3H3;
    MZVBLDCRQKXSHR-UHFFFAOYSA-N    		 O=C3c1c2c(c(N(C)C)cc1)cccc2C(=O)N3CCNCc4
    nnc(s4)C; Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3
    c(ccc4N(C)C)C2=O; CN(C)c1ccc2C(=O)N(CCNC
    c3sc(C)nn3)C(=O)c4cccc1c24    		 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).