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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).