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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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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    30001 NN9
    CHEMBL5268916    		 1 C14 H16 N4 O InChI=1S/C14H16N4O/c15-7-
    10-2-1-3-11(6-10)8-17-13-
    5-4-12(9-18-13)14(16)19/h
    1-6,9H,7-8,15H2,(H2,16,19
    )(H,17,18);
    WXURPGONLMDDHC-UHFFFAOYSA-N    		 c1cc(cc(c1)CNc2ccc(cn2)C(=O)N)CN; NCc1cc
    cc(CNc2ccc(cn2)C(N)=O)c1    		 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
    30002 NNA
    ZINC000098209237    		 5 C36 H63 N5 O7 S InChI=1S/C36H63N5O7S/c1-1
    0-11-15-24(27(42)30(44)37
    -22-16-17-22)38-29(43)26-
    25-23(35(25,8)9)20-41(26)
    31(45)28(33(2,3)4)39-32(4
    6)40-36(18-13-12-14-19-36
    )21-49(47,48)34(5,6)7/h22
    -28,42H,10-21H2,1-9H3,(H,
    37,44)(H,38,43)(H2,39,40,
    46)/t23-,24-,25-,26-,27+,
    28+/m0/s1;
    BZXRATSZUNDEEV-FZFXNXQRSA-N    		 CCCC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[C
    H](NC(=O)NC3(CCCCC3)C[S](=O)(=O)C(C)(C)C
    )C(C)(C)C)C2(C)C)[CH](O)C(=O)NC4CC4; CCC
    C[C@@H]([C@H](C(=O)NC1CC1)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
    ; CCCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3C(C3(C
    )C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)C
    S(=O)(=O)C(C)(C)C; CCCC[C@H](NC(=O)[C@@H
    ]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC3(
    CCCCC3)C[S](=O)(=O)C(C)(C)C)C(C)(C)C)C2(
    C)C)[C@@H](O)C(=O)NC4CC4; O=C(N3C(C(=O)N
    C(CCCC)C(O)C(=O)NC1CC1)C2C(C)(C2C3)C)C(N
    C(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(C)(
    C)C    		 (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;
    Narlaprevir, bound form
    30003 NNB
    CHEMBL191190
    DB08281
    ZINC000018415445    		 1 C17 H13 Br N2 O3 S InChI=1S/C17H13BrN2O3S/c1
    8-11-5-7-12(8-6-11)19-17(
    24)23-10-9-20-15(21)13-3-
    1-2-4-14(13)16(20)22/h1-8
    H,9-10H2,(H,19,24);
    BDVAWAILQCYMQE-UHFFFAOYSA-N    		 Brc1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2C3=O
    ; c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(
    cc3)Br; Brc1ccc(NC(=S)OCCN2C(=O)c3ccccc3
    C2=O)cc1    		 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate
    30004 NNC
    CHEMBL191141
    DB08282
    ZINC000013980686    		 1 C17 H13 Cl N2 O3 S InChI=1S/C17H13ClN2O3S/c1
    8-11-5-7-12(8-6-11)19-17(
    24)23-10-9-20-15(21)13-3-
    1-2-4-14(13)16(20)22/h1-8
    H,9-10H2,(H,19,24);
    BWRRXOIACQYNEK-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc
    3)Cl; Clc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2
    =O)cc1; Clc1ccc(cc1)NC(=S)OCCN3C(=O)c2cc
    ccc2C3=O    		 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate
    30005 NND
    CHEMBL408500
    DB08283
    ZINC000014253608    		 2 C15 H31 N O4 InChI=1S/C15H31NO4/c1-2-3
    -4-5-6-7-8-9-16-10-13(18)
    15(20)14(19)12(16)11-17/h
    12-15,17-20H,2-11H2,1H3/t
    12-,13+,14-,15-/m1/s1;
    FTSCEGKYKXESFF-LXTVHRRPSA-N    		 CCCCCCCCCN1CC(C(C(C1CO)O)O)O; CCCCCCCCCN
    1C[CH](O)[CH](O)[CH](O)[CH]1CO; CCCCCCCC
    CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO; C
    CCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]
    1CO)O)O)O; OCC1N(CCCCCCCCC)CC(O)C(O)C1O    		 (2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL;
    N-NONYL-DEOXYNOJIRIMYCIN
    30006 NNE 2 C30 H32 Cl4 N2 O6 InChI=1S/C30H32Cl4N2O6/c1
    -5-17(3)29(39)19-9-11-21(
    27(33)25(19)31)41-15-23(3
    7)35-13-7-8-14-36-24(38)1
    6-42-22-12-10-20(26(32)28
    (22)34)30(40)18(4)6-2/h9-
    12H,3-8,13-16H2,1-2H3,(H,
    35,37)(H,36,38);
    DJUYDJABFNZJNL-UHFFFAOYSA-N    		 C=C(/C(c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(CO
    c2ccc(c(c2Cl)Cl)C(=O)/C(CC)=C)=O)=O)CC;
    CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCC
    NC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC; CC
    C(=C)C(=O)c1ccc(OCC(=O)NCCCCNC(=O)COc2cc
    c(c(Cl)c2Cl)C(=O)C(=C)CC)c(Cl)c1Cl    		 N,N'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide}
    30007 NNF
    ZINC000017724487    		 2 C15 H17 F N4 O InChI=1S/C15H17FN4O/c1-11
    -10-14(21)18-15(17-11)20-
    8-6-19(7-9-20)13-4-2-12(1
    6)3-5-13/h2-5,10H,6-9H2,1
    H3,(H,17,18,21);
    AGOINTKVGRVJJT-UHFFFAOYSA-N    		 Fc3ccc(N2CCN(C1=NC(=CC(=O)N1)C)CC2)cc3;
    CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(F)cc3;
    CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F    		 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
    30008 NNG
    ZINC000016052348    		 2 C7 H17 N O10 P2 InChI=1S/C7H17NO10P2/c1-1
    9(12,13)8-4-6(10)5(9)3(18
    -7(4)11)2-17-20(14,15)16/
    h3-7,9-11H,2H2,1H3,(H2,8,
    12,13)(H2,14,15,16)/t3-,4
    -,5-,6-,7+/m1/s1;
    YCTZDNRMKSWCHF-GKHCUFPYSA-N    		 O=P(O)(O)OCC1OC(O)C(NP(=O)(O)C)C(O)C1O;
    C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[
    C@@H]1O)COP(=O)(O)O)O)O)O; C[P@@](O)(=O)
    N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@
    @H](O)[C@@H]1O; CP(=O)(NC1C(C(C(OC1O)COP
    (=O)(O)O)O)O)O; C[P](O)(=O)N[CH]1[CH](O)
    O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O    		 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose;
    N-ACETYLPHOSPHONOAMIDATE-D-GLUCOSAMINE-6-PHOSPHATE;
    2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucose;
    2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-D-glucose;
    2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-glucose
    30009 NNH
    CHEMBL1234777
    DB02381
    ZINC000002244322    		 11 C5 H12 N4 O3 InChI=1S/C5H12N4O3/c6-3(4
    (10)11)1-2-8-5(7)9-12/h3,
    12H,1-2,6H2,(H,10,11)(H3,
    7,8,9)/t3-/m0/s1;
    KOBHCUDVWOTEKO-VKHMYHEASA-N    		 O=C(O)C(N)CCNC(=[N@H])NO; [H]/N=C(/NCC[C
    @@H](C(=O)O)N)\NO; N[CH](CCNC(=N)NO)C(O)
    =O; [H]N=C(NCCC(C(=O)O)N)NO; N[C@@H](CCN
    C(=N)NO)C(O)=O    		 NOR-N-OMEGA-HYDROXY-L-ARGININE
    30010 NNI
    CHEMBL191910
    DB08284
    ZINC000013644801    		 1 C17 H13 I N2 O3 S InChI=1S/C17H13IN2O3S/c18
    -11-5-7-12(8-6-11)19-17(2
    4)23-10-9-20-15(21)13-3-1
    -2-4-14(13)16(20)22/h1-8H
    ,9-10H2,(H,19,24);
    CYYIBMGIJWXZEP-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc
    3)I; Ic1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2
    C3=O; Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=
    O)cc1    		 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
    30011 NNJ
    ZINC000098209238    		 0 C7 H11 N2 InChI=1S/C7H11N2/c1-9-4-2
    -3-7(5-8)6-9/h2-4,6H,5,8H
    2,1H3/q+1;
    MNWIURYABWVSGR-UHFFFAOYSA-N    		 C[n+]1cccc(CN)c1; NCc1ccc[n+](c1)C; C[n+
    ]1cccc(c1)CN    		 3-(aminomethyl)-1-methylpyridinium
    30012 NNK
    ZINC000044249405    		 1 C7 H11 N2 InChI=1S/C7H11N2/c1-9-4-2
    -7(6-8)3-5-9/h2-5H,6,8H2,
    1H3/q+1;
    BBCRICAXKQUDPF-UHFFFAOYSA-N    		 C[n+]1ccc(CN)cc1; NCc1cc[n+](cc1)C; C[n+
    ]1ccc(cc1)CN    		 4-(aminomethyl)-1-methylpyridinium
    30013 NNL
    CHEMBL1234778    		 2 C14 H14 Cl N5 InChI=1S/C14H14ClN5/c1-10
    -8-13(14-18-17-9-20(14)19
    -10)16-7-6-11-2-4-12(15)5
    -3-11/h2-5,8-9,16H,6-7H2,
    1H3;
    ANMSXJNKBNFCTH-UHFFFAOYSA-N    		 Clc1ccc(cc1)CCNc2c3nncn3nc(c2)C; Cc1cc(c
    2nncn2n1)NCCc3ccc(cc3)Cl; Cc1cc(NCCc2ccc
    (Cl)cc2)c3nncn3n1    		 N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine
    30014 NNM 2 C40 H69 O4 P InChI=1S/C40H69O4P/c1-33(
    2)17-10-18-34(3)19-11-20-
    35(4)21-12-22-36(5)23-13-
    24-37(6)25-14-26-38(7)27-
    15-28-39(8)29-16-30-40(9)
    31-32-44-45(41,42)43/h40H
    ,1,3-8,10-32H2,2,9H3,(H2,
    41,42,43)/t40-/m1/s1;
    CTKMEBTWSXRRSJ-RRHRGVEJSA-N    		 C[CH](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CC
    CC(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O;
    C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C
    CCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O; C
    (CCCC(=C)/CCC\C(=C)CCC/C(CCC\C(=C)CCC/C(
    CCC\C(=C)CCC\C(=C)C)=C)=C)(CCOP(O)(O)=O)
    C; CC(CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CC
    CC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O; C[
    C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCC
    C(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O    		 (3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
    30015 NNN
    CHEMBL482193
    DB08285    		 2 C19 H26 N6 O InChI=1S/C19H26N6O/c1-4-1
    5(12-26)22-18-23-17-16(13
    (2)3)11-21-25(17)19(24-18
    )20-10-14-8-6-5-7-9-14/h5
    -9,11,13,15,26H,4,10,12H2
    ,1-3H3,(H2,20,22,23,24)/t
    15-/m1/s1;
    SQUNOCMDMIQIQK-OAHLLOKOSA-N    		 CC[CH](CO)Nc1nc(NCc2ccccc2)n3ncc(C(C)C)c
    3n1; CC[C@H](CO)Nc1nc(NCc2ccccc2)n3ncc(C
    (C)C)c3n1; CC[C@H](CO)Nc1nc2c(cnn2c(n1)N
    Cc3ccccc3)C(C)C; n2c1c(cnn1c(nc2NC(CC)CO
    )NCc3ccccc3)C(C)C; CCC(CO)Nc1nc2c(cnn2c(
    n1)NCc3ccccc3)C(C)C    		 (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
    30016 NNO 13 C6 H5 N O4 InChI=1S/C6H5NO4/c8-5-2-1
    -4(6(9)10)3-7(5)11/h1-3,8
    H,(H,9,10);
    PQTDJLRPWRPPLV-UHFFFAOYSA-N    		 OC(=O)c1ccc(O)[n+]([O-])c1; O=C(O)c1c[n+
    ]([O-])c(O)cc1; c1cc([n+](cc1C(=O)O)[O-]
    )O    		 6-HYDROXYISONICOTINIC ACID N-OXIDE
    30017 NNQ
    CHEMBL2270128
    ZINC000070455165    		 1 C18 H25 N O InChI=1S/C18H25NO/c1-2-3-
    4-5-6-7-8-11-15-14-18(20)
    16-12-9-10-13-17(16)19-15
    /h9-10,12-14H,2-8,11H2,1H
    3,(H,19,20);
    KKRXDNYRUZGPFM-UHFFFAOYSA-N    		 CCCCCCCCCC1=CC(=O)c2ccccc2N1; O=C2c1c(cc
    cc1)NC(=C2)CCCCCCCCC    		 2-nonylquinolin-4(1H)-one
    30018 NNR
    CHEMBL438497
    DB14933
    ZINC000004096036    		 7 C11 H15 N2 O5 InChI=1S/C11H14N2O5/c12-1
    0(17)6-2-1-3-13(4-6)11-9(
    16)8(15)7(5-14)18-11/h1-4
    ,7-9,11,14-16H,5H2,(H-,12
    ,17)/p+1/t7-,8-,9-,11-/m1
    /s1;
    JLEBZPBDRKPWTD-TURQNECASA-O    		 NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO)[CH](O)
    [CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H
    ]([C@H](O2)CO)O)O)C(=O)N; NC(=O)c1ccc[n+
    ](c1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O;
    c1cc(c[n+](c1)C2C(C(C(O2)CO)O)O)C(=O)N;
    O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N    		 Nicotinamide riboside;
    3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium
    30019 NNS 0 C8 H9 N O2 InChI=1/C8H9NO2/c1-6(10)9
    -7-2-4-8(11)5-3-7/h2-5,11
    H,1H3,(H,9,10)/f/h9H;
    RZVAJINKPMORJF-BGGKNDAXCW    		 CC(=O)Nc1ccc(cc1)O; CC(=O)Nc1ccc(O)cc1;
    O=C(Nc1ccc(O)cc1)C    		 4-ACETYL-AMINOPHENOL;
    PARACETAMOL
    30020 NNT 0 C7 H10 Cl N2 InChI=1S/C7H10ClN2/c1-10-
    3-2-7(8)6(4-9)5-10/h2-3,5
    H,4,9H2,1H3/q+1;
    RRNWGKZANUHRIC-UHFFFAOYSA-N    		 C[n+]1ccc(c(c1)CN)Cl; Clc1cc[n+](cc1CN)C
    ; C[n+]1ccc(Cl)c(CN)c1    		 3-(aminomethyl)-4-chloro-1-methylpyridinium
    30021 NNU
    ZINC000035570032    		 0 C6 H7 Cl N2 InChI=1S/C6H7ClN2/c7-6-1-
    2-9-4-5(6)3-8/h1-2,4H,3,8
    H2;
    ORHVJXZYOADENO-UHFFFAOYSA-N    		 Clc1ccncc1CN; c1cncc(c1Cl)CN; NCc1cnccc1
    Cl    		 1-(4-chloropyridin-3-yl)methanamine
    30022 NNV
    ZINC000085589516    		 3 C14 H14 N2 O4 InChI=1S/C14H14N2O4/c17-1
    3(18)7-3-1-5-9-11(7)16-10
    -6-2-4-8(14(19)20)12(10)1
    5-9/h1-2,5-8,11,16H,3-4H2
    ,(H,17,18)(H,19,20)/t7-,8
    -,11+/m1/s1;
    FXTPBWZKMDQSSJ-XLDPMVHQSA-N    		 OC(=O)[CH]1CC=CC2=NC3=C(N[CH]12)C=CC[CH]
    3C(O)=O; C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)
    NC2[C@@H]1C(=O)O; OC(=O)[C@@H]1CC=CC2=NC
    3=C(N[C@@H]12)C=CC[C@H]3C(O)=O; C1C=CC2=
    NC3=C(C=CCC3C(=O)O)NC2C1C(=O)O; O=C(O)C3
    C=2N=C1C=CCC(C(=O)O)C1NC=2C=CC3    		 (1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid
    30023 NNW
    CHEMBL1188378
    ZINC000000158598    		 0 C6 H8 N2 InChI=1S/C6H8N2/c7-5-6-1-
    3-8-4-2-6/h1-4H,5,7H2;
    TXQWFIVRZNOPCK-UHFFFAOYSA-N    		 NCc1ccncc1; c1cnccc1CN; n1ccc(cc1)CN 1-(pyridin-4-yl)methanamine
    30024 NNX
    ZINC000098209240    		 0 C7 H10 Cl N2 InChI=1S/C7H10ClN2/c1-10-
    3-2-6(8)4-7(10)5-9/h2-4H,
    5,9H2,1H3/q+1;
    LNGYGZSEXVDQEO-UHFFFAOYSA-N    		 C[n+]1ccc(Cl)cc1CN; C[n+]1ccc(cc1CN)Cl;
    Clc1cc[n+](c(c1)CN)C    		 2-(aminomethyl)-4-chloro-1-methylpyridinium
    30025 NNY
    CHEMBL4588770
    ZINC000039051096    		 0 C6 H7 Cl N2 InChI=1S/C6H7ClN2/c7-5-1-
    2-9-6(3-5)4-8/h1-3H,4,8H2;
    FZCYDUZIHRNWSQ-UHFFFAOYSA-N    		 NCc1cc(Cl)ccn1; c1cnc(cc1Cl)CN; Clc1ccnc
    (c1)CN    		 1-(4-chloropyridin-2-yl)methanamine
    30026 NNZ 0 C7 H11 N2 InChI=1S/C7H11N2/c1-9-5-3
    -2-4-7(9)6-8/h2-5H,6,8H2,
    1H3/q+1;
    YORFTLSSGMZBTM-UHFFFAOYSA-N    		 NCc1[n+](cccc1)C; C[n+]1ccccc1CN 2-(aminomethyl)-1-methylpyridinium
    30027 NO
    CHEMBL1234765    		 170 N O InChI=1S/HNO/c1-2/h1H;
    ODUCDPQEXGNKDN-UHFFFAOYSA-N    		 [N]=O NITRIC OXIDE;
    Nitrogen monoxide
    30028 NO0 1 C19 H14 N2 O InChI=1S/C19H14N2O/c1-2-1
    4-6-5-7-15(10-14)11-19(22
    )21-18-13-20-12-16-8-3-4-
    9-17(16)18/h1,3-10,12-13H
    ,11H2,(H,21,22);
    CLLYBOMGFSNDSO-UHFFFAOYSA-N    		 C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21; C#Cc
    1cccc(c1)CC(=O)Nc2cncc3c2cccc3; O=C(Cc1c
    ccc(c1)C#C)Nc2cncc3ccccc23    		 2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
    30029 NO1
    ZINC000058638859    		 1 C11 H11 N O3 InChI=1S/C11H11NO3/c1-6-9
    -7(5-13)3-2-4-8(9)12-10(6
    )11(14)15/h2-4,12-13H,5H2
    ,1H3,(H,14,15);
    BSECKLZXEJBFRE-UHFFFAOYSA-N    		 Cc1c2c(cccc2[nH]c1C(=O)O)CO; O=C(O)c2c(c
    1c(cccc1n2)CO)C; Cc1c([nH]c2cccc(CO)c12)
    C(O)=O    		 4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid
    30030 NO2
    DB12529    		 402 N O2 InChI=1S/HNO2/c2-1-3/h(H,
    2,3)/p-1;
    IOVCWXUNBOPUCH-UHFFFAOYSA-M    		 [O-]N=O; N(=O)[O-] NITRITE ION
    30031 NO3
    CHEMBL186200
    DB14049    		 166 N O3 InChI=1S/NO3/c2-1(3)4/q-1;
    NHNBFGGVMKEFGY-UHFFFAOYSA-N    		 [O-][N+]([O-])=O; [N+](=O)([O-])[O-] NITRATE ION
    30032 NO4
    CHEMBL1625834
    ZINC000002132373    		 6 C15 H21 N InChI=1S/C15H21N/c1-3-7-1
    4(8-4-1)11-12-16-13-15-9-
    5-2-6-10-15/h2,5-7,9-10,1
    6H,1,3-4,8,11-13H2;
    RTJNHLXWVAXRBH-UHFFFAOYSA-N    		 c1ccc(cc1)CNCCC2=CCCCC2; C1CCC(=CC1)CCNC
    c2ccccc2; c1ccc(cc1)CNCCC=2CCCCC=2    		 N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine
    30033 NO5 2 C5 H12 N2 O4 S InChI=1S/C5H12N2O4S/c1-3(
    2)4(5(8)9)7-12(6,10)11/h3
    -4,7H,1-2H3,(H,8,9)(H2,6,
    10,11)/t4-/m0/s1;
    IIRKLFOBJZBWGF-BYPYZUCNSA-N    		 CC(C)[CH](N[S](N)(=O)=O)C(O)=O; CC(C)C(C
    (=O)O)NS(=O)(=O)N; CC(C)[C@H](N[S](N)(=O
    )=O)C(O)=O; CC(C)[C@@H](C(=O)O)NS(=O)(=O
    )N    		 (2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid
    30034 NO6 6 C9 H12 N2 O2 S InChI=1S/C9H12N2O2S/c10-8
    (9(12)13)6-14-5-7-3-1-2-4
    -11-7/h1-4,8H,5-6,10H2,(H
    ,12,13)/t8-/m0/s1;
    LHCQVBLTAYDREK-QMMMGPOBSA-N    		 c1ccnc(c1)CSCC(C(=O)O)N; c1ccnc(c1)CSC[C
    @@H](C(=O)O)N; N[CH](CSCc1ccccn1)C(O)=O;
    N[C@@H](CSCc1ccccn1)C(O)=O; O=C(O)C(N)C
    SCc1ccccn1    		 S-[(pyridin-2-yl)methyl]-L-cysteine
    30035 NO7 1 C13 H17 N5 O10 P2 InChI=1S/C13H17N5O10P2/c1
    -2-3-14-11-8-12(16-5-15-1
    1)18(6-17-8)13-10(20)9(19
    )7(27-13)4-26-30(24,25)28
    -29(21,22)23/h1,5-7,9-10,
    13,19-20H,3-4H2,(H,24,25)
    (H,14,15,16)(H2,21,22,23)
    /t7-,9-,10-,13+/m1/s1;
    DYWGWOPDXRINLT-HMMKDHSLSA-N    		 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P]
    (O)(O)=O)n2cnc3c(NCC#C)ncnc23; O[C@H]1[C
    @@H](O)[C@H](O[C@@H]1CO[P](O)(=O)O[P](O)
    (O)=O)n2cnc3c(NCC#C)ncnc23; C#CCNc1c2c(n
    cn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)
    O)O)O; C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@
    H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)
    O)O; c21ncn(c1ncnc2NCC#C)C3C(C(C(COP(O)(
    =O)OP(O)(O)=O)O3)O)O    		 9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-ribofuranosyl}-N-(prop-2-yn-1-yl)-9H-purin-6-amine
    30036 NO8 8 C33 H55 N9 O14 InChI=1S/C33H55N9O14/c1-1
    4(34)31(53)42-10-6-8-20(4
    2)29(51)36-11-22(46)39-18
    (12-43)28(50)40-23(30(52)
    37-15(2)32(54)41-9-5-7-19
    (41)27(35)49)16(3)55-33-2
    4(38-17(4)45)26(48)25(47)
    21(13-44)56-33/h14-16,18-
    21,23-26,33,43-44,47-48H,
    5-13,34H2,1-4H3,(H2,35,49
    )(H,36,51)(H,37,52)(H,38,
    45)(H,39,46)(H,40,50)/t14
    -,15-,16+,18-,19-,20-,21+
    ,23-,24+,25-,26+,33-/m0/s
    1;
    SQMBDAVTEXMIPT-PEECNIKTSA-N    		 C[CH](N)C(=O)N1CCC[CH]1C(=O)NCC(=O)N[CH]
    (CO)C(=O)N[CH]([CH](C)O[CH]2O[CH](CO)[CH
    ](O)[CH](O)[CH]2NC(C)=O)C(=O)N[CH](C)C(=
    O)N3CCC[CH]3C(N)=O; C[C@H]([C@@H](C(=O)N
    [C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C
    @H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@
    H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](
    O3)CO)O)O)NC(=O)C; C[C@H](N)C(=O)N1CCC[C
    @H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](
    [C@@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@H](
    O)[C@H]2NC(C)=O)C(=O)N[C@@H](C)C(=O)N3CC
    C[C@H]3C(N)=O; CC(C(C(=O)NC(C)C(=O)N1CCC
    C1C(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C2CCCN2
    C(=O)C(C)N)OC3C(C(C(C(O3)CO)O)O)NC(=O)C    		 (2~{S})-~{N}-[2-[[(2~{S})-1-[[(2~{S},3~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{S})-1-[(2~{S})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{S})-2-azanylpropanoyl]pyrrolidine-2-carboxamide
    30037 NO9
    ZINC000032627677    		 6 C7 H9 N O5 S InChI=1S/C7H9NO5S/c1-3-5(
    7(9)10)6(4(2)13-3)14(8,11
    )12/h1-2H3,(H,9,10)(H2,8,
    11,12);
    YPWRJNLSEWKOGW-UHFFFAOYSA-N    		 Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O; Cc1oc(C
    )c(c1C(O)=O)[S](N)(=O)=O    		 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid
    30038 NOA
    CHEMBL1234781
    DB08286
    ZINC000000038389    		 1 C12 H10 O3 InChI=1S/C12H10O3/c13-12(
    14)8-15-11-7-3-5-9-4-1-2-
    6-10(9)11/h1-7H,8H2,(H,13
    ,14);
    GHRYSOFWKRRLMI-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2OCC(=O)O; O=C(O)COc2cccc
    1ccccc12; OC(=O)COc1cccc2ccccc12    		 NAPHTHYLOXYACETIC ACID
    30039 NOB 16 B2 H3 Li O5 InChI=1S/B2H3O5.Li/c3-1(4
    )7-2(5)6;/h3-5H;/q-1;+1;
    OBDSFKZXLCSJJG-UHFFFAOYSA-N    		 [Li]OB(O)OB(O)O (dihydroxyboranyloxy-hydroxy-boranyl)oxylithium
    30040 NOC
    ZINC000058638705    		 1 C11 H15 N5 O3 InChI=1S/C11H15N5O3/c12-1
    0-7-11(14-3-13-10)16(4-15
    -7)6-1-5(2-17)8(18)9(6)19
    /h3-6,8-9,17-19H,1-2H2,(H
    2,12,13,14)/t5-,6+,8-,9-/
    m0/s1;
    UGRNVLGKAGREKS-FAYXRDSDSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3C[C@@H](CO)[C@H](
    O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3C[CH](CO
    )[CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)C3CC(C
    (C3O)O)CO)N; n1c(c2ncn(c2nc1)C3CC(CO)C(O
    )C3O)N; c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@
    H]([C@H]3O)O)CO)N    		 3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-CYCLOPENTANE-1,2-DIOL;
    NEPLANOCIN
    30041 NOD
    ZINC000043649746    		 0 C29 H33 N O12 InChI=1S/C29H33NO12/c1-12
    -24(34)15(30-6-7-31)8-19(
    41-12)42-17-10-29(39,18(3
    3)11-32)9-14-21(17)28(38)
    23-22(26(14)36)25(35)13-4
    -3-5-16(40-2)20(13)27(23)
    37/h3-5,12,15,17,19,24,30
    -32,34,36,38-39H,6-11H2,1
    -2H3/t12-,15+,17-,19-,24+
    ,29-/m0/s1;
    XZJOMGCCXRRFJX-MIDWVNFUSA-N    		 O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C
    C(O)(C(=O)CO)CC5OC4OC(C(O)C(NCCO)C4)C; C
    [C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](C
    c3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C
    (=O)CO)O)NCCO)O; CC1C(C(CC(O1)OC2CC(Cc3c
    2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O
    )CO)O)NCCO)O; COc1cccc2C(=O)c3c(O)c4C[C]
    (O)(C[CH](O[CH]5C[CH](NCCO)[CH](O)[CH](C
    )O5)c4c(O)c3C(=O)c12)C(=O)CO; COc1cccc2C
    (=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@
    H](NCCO)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)
    c12)C(=O)CO    		 N-ETHYLHYDROXY-DOXORUBICIN
    30042 NOE
    DB02646    		 4 C2 H5 N O InChI=1S/C2H5NO/c1-2-3-4/
    h2H2,1H3;
    IFYCAQIXDKZDTB-UHFFFAOYSA-N    		 O=NCC; CCN=O NITROSOETHANE
    30043 NOF 15 C34 H45 Cl Ir N5 O4 S InChI=1S/C24H31N5O4S.C10H
    15.ClH.Ir/c1-24(2,3)33-23
    (32)28-16-11-10-15(14-7-6
    -12-25-20(14)16)26-19(30)
    9-5-4-8-18-21-17(13-34-18
    )27-22(31)29-21;1-6-7(2)9
    (4)10(5)8(6)3;;/h6-7,10-1
    2,17-18,21H,4-5,8-9,13H2,
    1-3H3,(H4,25,26,27,28,29,
    30,31,32);1-5H3;1H;/q;;;+
    3/p-2/t17-,18-,21-;;;/m0.
    ../s1;
    NIFXELQADIYDEE-HVXVAELJSA-L    		 CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc
    c8c7c(ccc8NC(=O)CCCCC9C1C(CS9)NC(=O)N1)N
    6C(=O)OC(C)(C)C)Cl)C; CC12C3([Ir]1456(C2
    (C4(C53C)C)C)([n+]7cccc8c7c(ccc8NC(=O)CC
    CC[C@H]9[C@@H]1[C@H](CS9)NC(=O)N1)N6C(=O
    )OC(C)(C)C)Cl)C; CC1C(C)C(C)C(C)C1C.CC(C
    )(C)OC(=O)N2[Ir](Cl)[n+]3cccc4c(NC(=O)CC
    CC[CH]5SC[CH]6NC(=O)N[CH]56)ccc2c34; CC1
    C(C)C(C)C(C)C1C.CC(C)(C)OC(=O)N2[Ir](Cl)
    [n+]3cccc4c(NC(=O)CCCC[C@@H]5SC[C@@H]6NC
    (=O)N[C@H]56)ccc2c34    		 tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate;
    iridium catalyst for CH activation
    30044 NOG
    CHEMBL1389
    DB00367
    ZINC000003814395    		 3 C21 H28 O2 InChI=1S/C21H28O2/c1-3-20
    -11-9-17-16-8-6-15(22)13-
    14(16)5-7-18(17)19(20)10-
    12-21(20,23)4-2/h2,13,16-
    19,23H,3,5-12H2,1H3/t16-,
    17+,18+,19-,20-,21-/m0/s1;
    WWYNJERNGUHSAO-XUDSTZEESA-N    		 CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
    ; O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC
    )CC4; CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)
    CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C; CC[C@]1
    2CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4
    =CC(=O)CC[C@H]34; CC[C]12CC[CH]3[CH](CCC
    4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C    		 13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE;
    NORGESTREL
    30045 NOH
    CHEMBL1161227    		 13 C9 H14 N3 O8 P InChI=1S/C9H14N3O8P/c13-5
    -3-8(20-6(5)4-19-21(16,17
    )18)12-2-1-7(11-15)10-9(1
    2)14/h1-2,5-6,8,13,15H,3-
    4H2,(H,10,11,14)(H2,16,17
    ,18)/t5-,6+,8+/m0/s1;
    YKOWBJJOJNGCAD-SHYZEUOFSA-N    		 ONC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](
    CO[P](O)(O)=O)O2; C1[C@@H]([C@H](O[C@H]1
    N2C=CC(=NC2=O)NO)COP(=O)(O)O)O; ONC1=NC(
    =O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=
    O)O2; C1C(C(OC1N2C=CC(=NC2=O)NO)COP(=O)(
    O)O)O; O=P(O)(O)OCC2OC(N1C(=O)N=C(NO)C=C
    1)CC2O    		 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate)
    30046 NOI 1 C12 H12 Cl N3 O InChI=1S/C12H12ClN3O/c1-1
    6-8-14-7-11(16)15-12(17)6
    -9-3-2-4-10(13)5-9/h2-5,7
    -8H,6H2,1H3,(H,15,17);
    DVAZCJFDVZFHLG-UHFFFAOYSA-N    		 Cn1cncc1NC(=O)Cc2cccc(c2)Cl; Cn1cncc1NC(
    =O)Cc2cccc(Cl)c2; O=C(Nc1cncn1C)Cc1cccc(
    Cl)c1    		 2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide
    30047 NOJ
    CHEMBL307429
    DB03206
    ZINC000003794714    		 55 C6 H13 N O4 InChI=1S/C6H13NO4/c8-2-3-
    5(10)6(11)4(9)1-7-3/h3-11
    H,1-2H2/t3-,4+,5-,6-/m1/s
    1;
    LXBIFEVIBLOUGU-JGWLITMVSA-N    		 OC1C(NCC(O)C1O)CO; C1C(C(C(C(N1)CO)O)O)O
    ; C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)
    O; OC[CH]1NC[CH](O)[CH](O)[CH]1O; OC[C@H
    ]1NC[C@H](O)[C@@H](O)[C@@H]1O    		 1-DEOXYNOJIRIMYCIN;
    MORANOLINE
    30048 NOK
    CHEMBL382689
    ZINC000005167384    		 8 C8 H16 N2 O4 InChI=1S/C8H16N2O4/c1-4(1
    2)10-5-2-9-6(3-11)8(14)7(
    5)13/h5-9,11,13-14H,2-3H2
    ,1H3,(H,10,12)/t5-,6+,7+,
    8+/m0/s1;
    GBRAQQUMMCVTAV-LXGUWJNJSA-N    		 CC(=O)N[CH]1CN[CH](CO)[CH](O)[CH]1O; CC(
    =O)NC1CNC(C(C1O)O)CO; CC(=O)N[C@H]1CN[C@
    H](CO)[C@@H](O)[C@@H]1O; CC(=O)N[C@H]1CN
    [C@@H]([C@H]([C@@H]1O)O)CO; O=C(NC1C(O)C
    (O)C(NC1)CO)C    		 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN
    30049 NOL
    ZINC000016052090    		 4 C32 H50 N4 O7 InChI=1S/C32H50N4O7/c1-21
    (43-32(2,3)4)27(36-31(41)
    42-20-23-13-9-6-10-14-23)
    30(40)35-26(17-22-11-7-5-
    8-12-22)29(39)34-25(19-37
    )18-24-15-16-33-28(24)38/
    h6,9-10,13-14,21-22,24-27
    ,37H,5,7-8,11-12,15-20H2,
    1-4H3,(H,33,38)(H,34,39)(
    H,35,40)(H,36,41)/t21-,24
    +,25+,26+,27+/m1/s1;
    YIWYOEOSWRXENJ-FFXRMZKPSA-N    		 CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=
    O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C; C[CH](O
    C(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH
    ](CC2CCCCC2)C(=O)N[CH](CO)C[CH]3CCNC3=O;
    C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(
    =O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3
    ccccc3)OC(C)(C)C; C[C@@H](OC(C)(C)C)[C@H
    ](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC2CCCCC
    2)C(=O)N[C@H](CO)C[C@@H]3CCNC3=O; O=C(OC
    c1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2
    )CO)CC3CCCCC3)C(OC(C)(C)C)C    		 N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
    30050 NOM
    DB01668
    ZINC000004983927    		 1 C16 H12 O6 InChI=1S/C16H12O6/c1-6-11
    -13(16-9(21-6)5-10(18)22-
    16)14(19)7-3-2-4-8(17)12(
    7)15(11)20/h2-4,6,9,16-17
    H,5H2,1H3/t6-,9-,16-/m0/s
    1;
    XUWPJKDMEZSVTP-UOSCCXBLSA-N    		 C[CH]1O[CH]2CC(=O)O[CH]2C3=C1C(=O)c4c(O)
    cccc4C3=O; C[C@@H]1O[C@H]2CC(=O)O[C@@H]2
    C3=C1C(=O)c4c(O)cccc4C3=O; O=C1C3=C(C(=O
    )c2c1cccc2O)C(OC4CC(=O)OC34)C; C[C@H]1C2
    =C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2
    =O)O; CC1C2=C(C3C(O1)CC(=O)O3)C(=O)c4ccc
    c(c4C2=O)O    		 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE;
    NANAOMYCIN D
    30051 NON
    CHEMBL1234788
    DB01631
    ZINC000002039285    		 2 C10 H20 O2 InChI=1S/C10H20O2/c1-3-4-
    5-6-7-8-9-10(11)12-2/h3-9
    H2,1-2H3;
    IJXHLVMUNBOGRR-UHFFFAOYSA-N    		 CCCCCCCCC(=O)OC; O=C(OC)CCCCCCCC METHYL NONANOATE (ESTER)
    30052 NOO
    ZINC000066157186    		 1 C14 H23 N O2 InChI=1S/C14H23NO2/c1-2-3
    -4-5-6-10-14(17)15-12-8-7
    -9-13(16)11-12/h11H,2-10H
    2,1H3,(H,15,17);
    USNFUKCPLYEHLS-UHFFFAOYSA-N    		 O=C1C=C(NC(=O)CCCCCCC)CCC1; CCCCCCCC(=O)
    NC1=CC(=O)CCC1    		 N-(3-oxocyclohex-1-en-1-yl)octanamide
    30053 NOP
    DB03629
    ZINC000033367564    		 1 C8 H10 N O7 P InChI=1S/C8H10NO7P/c1-5-8
    (11)7(3-10)6(2-9(5)12)4-1
    6-17(13,14)15/h2-3,11H,4H
    2,1H3,(H2,13,14,15);
    BBWRYPTUKZTWFD-UHFFFAOYSA-N    		 Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O; [
    O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O; Cc
    1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-]    		 PYRIDOXAL-5'-PHOSPHATE-N-OXIDE
    30054 NOQ
    DB08287
    ZINC000016052009    		 1 C17 H26 N2 O4 S InChI=1S/C17H26N2O4S/c1-2
    3-14-6-8-15(9-7-14)24(21,
    22)12-13-4-2-3-5-16(13)17
    (20)19-11-10-18/h6-9,13,1
    6H,2-5,10-12,18H2,1H3,(H,
    19,20)/t13-,16+/m0/s1;
    QTGNVZPFJQOWFL-XJKSGUPXSA-N    		 O=S(=O)(c1ccc(OC)cc1)CC2C(C(=O)NCCN)CCCC
    2; COc1ccc(cc1)S(=O)(=O)CC2CCCCC2C(=O)NC
    CN; COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@
    H]2C(=O)NCCN; COc1ccc(cc1)[S](=O)(=O)C[C
    H]2CCCC[CH]2C(=O)NCCN; COc1ccc(cc1)[S](=
    O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN    		 (1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
    30055 NOR
    DB08288
    ZINC000005977113    		 0 C13 H25 N O3 InChI=1S/C13H25NO3/c1-9(2
    )17-13(16)12(15)11(14)8-1
    0-6-4-3-5-7-10/h9-12,15H,
    3-8,14H2,1-2H3/t11-,12+/m
    0/s1;
    GSYSEQUYQXPNHH-NWDGAFQWSA-N    		 CC(C)OC(=O)C(C(CC1CCCCC1)N)O; CC(C)OC(=O
    )[CH](O)[CH](N)CC1CCCCC1; CC(C)OC(=O)[C@
    @H]([C@H](CC1CCCCC1)N)O; CC(C)OC(=O)[C@H
    ](O)[C@@H](N)CC1CCCCC1; O=C(OC(C)C)C(O)C
    (N)CC1CCCCC1    		 CYCLOHEXYL-NORSTATINE
    30056 NOS
    CHEMBL1556
    DB04335
    ZINC000008855117    		 64 C10 H12 N4 O5 InChI=1S/C10H12N4O5/c15-1
    -4-6(16)7(17)10(19-4)14-3
    -13-5-8(14)11-2-12-9(5)18
    /h2-4,6-7,10,15-17H,1H2,(
    H,11,12,18)/t4-,6-,7-,10-
    /m1/s1;
    UGQMRVRMYYASKQ-KQYNXXCUSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(
    =O)NC=Nc23; OC[CH]1O[CH]([CH](O)[CH]1O)n
    2cnc3C(=O)NC=Nc23; c1nc2c(n1C3C(C(C(O3)C
    O)O)O)N=CNC2=O; c1nc2c(n1[C@H]3[C@@H]([C
    @@H]([C@H](O3)CO)O)O)N=CNC2=O    		 INOSINE
    30057 NOT
    ZINC000035854941    		 1 C6 H12 N4 O2 InChI=1S/C6H12N4O2/c7-5(6
    (11)12)3-1-2-4-9-10-8/h5H
    ,1-4,7H2,(H,11,12)/t5-/m0
    /s1;
    HTFFMYRVHHNNBE-YFKPBYRVSA-N    		 C(CCN=[N+]=[N-])CC(C(=O)O)N; N[C@@H](CCC
    CN=[N+]=[N-])C(O)=O; C(CCN=[N+]=[N-])C[C
    @@H](C(=O)O)N; [N-]=[N+]=N/CCCCC(N)C(=O)
    O; N[CH](CCCCN=[N+]=[N-])C(O)=O    		 6-azido-L-norleucine;
    AZIDONORLEUCINE
    30058 NOU 2 C9 H13 N3 O2 InChI=1S/C9H13N3O2/c10-7(
    9(13)14)4-6-12-8-3-1-2-5-
    11-8/h1-3,5,7H,4,6,10H2,(
    H,11,12)(H,13,14)/t7-/m0/
    s1;
    QJIQHEBKRNDRHG-ZETCQYMHSA-N    		 N[CH](CCNc1ccccn1)C(O)=O; N[C@@H](CCNc1c
    cccn1)C(O)=O; c1ccnc(c1)NCCC(C(=O)O)N; c
    1ccnc(c1)NCC[C@@H](C(=O)O)N; O=C(O)C(N)C
    CNc1ccccn1    		 (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid
    30059 NOV
    CHEMBL36506
    DB01051
    ZINC000014879999    		 30 C31 H36 N2 O11 InChI=1S/C31H36N2O11/c1-1
    4(2)7-8-16-13-17(9-11-19(
    16)34)27(37)33-21-22(35)1
    8-10-12-20(15(3)24(18)42-
    28(21)38)41-29-23(36)25(4
    3-30(32)39)26(40-6)31(4,5
    )44-29/h7,9-13,23,25-26,2
    9,34-36H,8H2,1-6H3,(H2,32
    ,39)(H,33,37)/t23-,25+,26
    -,29-/m1/s1;
    YJQPYGGHQPGBLI-KGSXXDOSSA-N    		 Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3
    )CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C
    (O4)(C)C)OC)OC(=O)N)O; CO[CH]1[CH](OC(N)
    =O)[CH](O)[CH](Oc2ccc3C(=C(NC(=O)c4ccc(O
    )c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C; O=
    C(c1ccc(O)c(c1)C\C=C(/C)C)NC3=C(O)c4ccc(
    OC2OC(C(OC)C(OC(=O)N)C2O)(C)C)c(c4OC3=O)
    C; CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H
    ](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c
    4)C(=O)Oc3c2C)O)OC1(C)C; Cc1c(ccc2c1OC(=
    O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)OC4
    C(C(C(C(O4)(C)C)OC)OC(=O)N)O    		 NOVOBIOCIN;
    4-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)benzamido]-8-methylcoumarin-7-yl 3-O-carbamoyl-5,5-di-C-methyl-alpha-l-lyxofuranoside
    30060 NOW 4 C21 H29 N5 O2 InChI=1S/C21H29N5O2/c1-14
    -7-6-8-15(11-14)12-16(19(
    27)23-10-9-22)24-20(28)17
    -13-18(21(2,3)4)25-26(17)
    5/h6-9,11,13,16,22H,10,12
    H2,1-5H3,(H,23,27)(H,24,2
    8)/b22-9+/t16-/m0/s1;
    TVOGNNSPACVESK-QPCOYWRUSA-N    		 [H]N=CCNC(=O)C(Cc1cccc(c1)C)NC(=O)c2cc(n
    n2C)C(C)(C)C; [H]/N=C\CNC(=O)[C@H](Cc1cc
    cc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C; Cn1nc(
    cc1C(=O)N[C@@H](Cc2cccc(C)c2)C(=O)NCC=N)
    C(C)(C)C; Cn1nc(cc1C(=O)N[CH](Cc2cccc(C)
    c2)C(=O)NCC=N)C(C)(C)C; O=C(c1cc(nn1C)C(
    C)(C)C)NC(C(=O)NCC=[N@H])Cc2cccc(c2)C    		 Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide
    30061 NOX
    DB08289
    ZINC000006251339    		 2 C18 H26 N2 O4 InChI=1S/C18H26N2O4/c21-1
    7(5-4-6-18(22)23)19-16-9-
    7-15(8-10-16)11-14-20(24)
    12-2-1-3-13-20/h7-10H,1-6
    ,11-14H2,(H,19,21)(H,22,2
    3);
    RKJXWOJUCCBWSC-UHFFFAOYSA-N    		 c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(
    =O)O; OC(=O)CCCC(=O)Nc1ccc(CC[N+]2([O-])
    CCCCC2)cc1; [O-][N+]2(CCc1ccc(NC(=O)CCCC
    (=O)O)cc1)CCCCC2    		 N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE
    30062 NOY 8 C6 H13 N O4 InChI=1S/C6H13NO4/c8-2-3-
    1-7-6(11)5(10)4(3)9/h3-11
    H,1-2H2/t3-,4-,5+,6-/m1/s
    1;
    BHOYFRIRWXBNHP-ARQDHWQXSA-N    		 C1C(C(C(C(N1)O)O)O)CO; OC[CH]1CN[CH](O)[
    CH](O)[CH]1O; OC[C@H]1CN[C@H](O)[C@@H](O
    )[C@@H]1O; OC1C(CNC(O)C1O)CO; C1[C@@H]([
    C@H]([C@@H]([C@H](N1)O)O)O)CO    		 (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL
    30063 NOZ 0 C6 H13 N O4 InChI=1/C6H13NO4/c8-2-3-1
    -7-6(11)5(10)4(3)9/h3-11H
    ,1-2H2/t3-,4-,5+,6+/m1/s1;
    BHOYFRIRWXBNHP-ZXXMMSQZBS    		 C1C(C(C(C(N1)O)O)O)CO; OC[CH]1CN[CH](O)[
    CH](O)[CH]1O; OC[C@H]1CN[C@@H](O)[C@@H](
    O)[C@@H]1O; C1[C@@H]([C@H]([C@@H]([C@@H]
    (N1)O)O)O)CO; OC1C(CNC(O)C1O)CO    		 (2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol
    30064 NP 3 C14 H18 N2 O6 InChI=1S/C14H18N2O6/c17-1
    2-6-5-10(8-11(12)16(21)22
    )9-13(18)15-7-3-1-2-4-14(
    19)20/h5-6,8,17H,1-4,7,9H
    2,(H,15,18)(H,19,20);
    XAYGJFACOIKJCT-UHFFFAOYSA-N    		 O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC(=O)
    O; c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)
    [O-])O; OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[
    N+]([O-])=O    		 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID
    30065 NP0 0 C3 H9 N O InChI=1S/C3H9NO/c1-2-3-4-
    5/h4-5H,2-3H2,1H3;
    OMXHKVKIKSASRV-UHFFFAOYSA-N    		 CCCNO N-hydroxypropan-1-amine;
    1-nitrosopropane, bound form
    30066 NP1
    CHEMBL609728
    DB05492
    ZINC000028644947    		 1 C10 H15 N3 O2 InChI=1S/C10H15N3O2/c1-8-
    3-4-9(12-6-2-5-11)10(7-8)
    13(14)15/h3-4,7,12H,2,5-6
    ,11H2,1H3;
    FKZUPMCBVURANR-UHFFFAOYSA-N    		 Cc1ccc(c(c1)[N+](=O)[O-])NCCCN; Cc1ccc(N
    CCCN)c(c1)[N+]([O-])=O; [O-][N+](=O)c1cc
    (ccc1NCCCN)C    		 N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE
    30067 NP2
    CHEMBL1234797
    DB08291
    ZINC000004045568    		 1 C9 H13 N3 O2 InChI=1S/C9H13N3O2/c10-6-
    3-7-11-8-4-1-2-5-9(8)12(1
    3)14/h1-2,4-5,11H,3,6-7,1
    0H2;
    GVGDDEYVTBKACE-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccccc1NCCCN; c1ccc(c(c1)NC
    CCN)[N+](=O)[O-]; NCCCNc1ccccc1[N+]([O-]
    )=O    		 N-(3-AMINOPROPYL)-2-NITROBENZENAMINE
    30068 NP3
    ZINC000033370746    		 0 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-7
    -3-9(10-2-1-6(4-10)11(13)
    14)19-8(7)5-18-20(15,16)1
    7/h1-2,4,7-9,12H,3,5H2,(H
    2,15,16,17)/t7-,8+,9+/m0/
    s1;
    RZUPPTSNKSBSQO-DJLDLDEBSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccc(c2
    )[N+]([O-])=O; [O-][N+](=O)c1ccn(c1)C2OC
    (C(O)C2)COP(=O)(O)O; c1cn(cc1[N+](=O)[O-
    ])C2CC(C(O2)COP(=O)(O)O)O; c1cn(cc1[N+](
    =O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O
    )O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)
    =O)n2ccc(c2)[N+]([O-])=O    		 1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITRO-PYRROL]-5'-PHOSPHATE
    30069 NP4
    DB08292
    ZINC000036966122    		 1 C16 H17 Cl O5 InChI=1S/C16H17ClO5/c17-1
    5-11-8-10(18)6-4-2-1-3-5-
    7-22-16(21)14(11)12(19)9-
    13(15)20/h1,3,9,19-20H,2,
    4-8H2/b3-1-;
    AQKZYZQONWDDLS-IWQZZHSRSA-N    		 Oc1cc(O)c2C(=O)OCC\C=C/CCCC(=O)Cc2c1Cl;
    c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C/CCOC2=O)O
    ; O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl;
    Oc1cc(O)c2C(=O)OCCC=CCCCC(=O)Cc2c1Cl; c1
    c(c2c(c(c1O)Cl)CC(=O)CCCC=CCCOC2=O)O    		 (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
    30070 NP5
    DB08293
    ZINC000036966121    		 1 C16 H17 Cl O5 InChI=1S/C16H17ClO5/c17-1
    5-11-8-10(18)6-4-2-1-3-5-
    7-22-16(21)14(11)12(19)9-
    13(15)20/h1,3,9,19-20H,2,
    4-8H2/b3-1+;
    AQKZYZQONWDDLS-HNQUOIGGSA-N    		 c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C\CCOC2=O)O
    ; O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl;
    Oc1cc(O)c2C(=O)OCCC=CCCCC(=O)Cc2c1Cl; Oc
    1cc(O)c2C(=O)OCC/C=C/CCCC(=O)Cc2c1Cl; c1
    c(c2c(c(c1O)Cl)CC(=O)CCCC=CCCOC2=O)O    		 (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
    30071 NP6
    CHEMBL255476
    DB07432
    ZINC000034600850    		 2 C17 H23 N3 O7 InChI=1S/C17H23N3O7/c1-2-
    6-12(22)19-13-15(24)14(23
    )11(9-21)26-16(13)20-27-1
    7(25)18-10-7-4-3-5-8-10/h
    3-5,7-8,11,13-15,21,23-24
    H,2,6,9H2,1H3,(H,18,25)(H
    ,19,22)/b20-16-/t11-,13-,
    14-,15-/m1/s1;
    ITVRELFVFCOUMV-ZVZWZHPPSA-N    		 CCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=
    NOC(=O)Nc2ccccc2; CCCC(=O)NC1C(C(C(OC1=N
    OC(=O)Nc2ccccc2)CO)O)O; O=C(O\N=C1/OC(CO
    )C(O)C(O)C1NC(=O)CCC)Nc2ccccc2; CCCC(=O)
    N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O
    )Nc2ccccc2)CO)O)O; CCCC(=O)N[C@@H]\1[C@@
    H](O)[C@H](O)[C@@H](CO)OC\1=N\OC(=O)Nc2c
    cccc2    		 [[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE
    30072 NP7
    CHEMBL1609857    		 4 C18 H19 Cl N4 O3 InChI=1S/C18H19ClN4O3/c1-
    21-8-10-22(11-9-21)17-7-6
    -13(23(25)26)12-16(17)20-
    18(24)14-4-2-3-5-15(14)19
    /h2-7,12H,8-11H2,1H3,(H,2
    0,24);
    WOGZFCMBPXJNFI-UHFFFAOYSA-N    		 Clc1ccccc1C(=O)Nc3c(N2CCN(C)CC2)ccc([N+]
    ([O-])=O)c3; CN1CCN(CC1)c2ccc(cc2NC(=O)c
    3ccccc3Cl)[N+](=O)[O-]; CN1CCN(CC1)c2ccc
    (cc2NC(=O)c3ccccc3Cl)[N+]([O-])=O    		 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
    30073 NP8
    CHEMBL3585455
    ZINC000263620429    		 2 C20 H23 N5 O2 InChI=1S/C20H23N5O2/c1-12
    -7-16-17(13-8-15(27-2)10-
    22-9-13)11-23-19(18(16)25
    -20(12)26)24-14-3-5-21-6-
    4-14/h7-11,14,21H,3-6H2,1
    -2H3,(H,23,24)(H,25,26);
    FPQQERRFPULCIK-UHFFFAOYSA-N    		 COc1cncc(c1)c2cnc(NC3CCNCC3)c4NC(=O)C(=C
    c24)C; CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4
    cc(cnc4)OC    		 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
    30074 NPA
    CHEMBL501822
    DB08294
    ZINC000003861564    		 3 C8 H7 N O5 InChI=1S/C8H7NO5/c10-7-2-
    1-5(4-8(11)12)3-6(7)9(13)
    14/h1-3,10H,4H2,(H,11,12);
    QBHBHOSRLDPIHG-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O; c1cc(c
    (cc1CC(=O)O)[N+](=O)[O-])O; O=[N+]([O-])
    c1cc(ccc1O)CC(=O)O    		 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID
    30075 NPB
    CHEMBL20945
    DB02797
    ZINC000169743203    		 3 C6 H6 B N O4 InChI=1S/C6H6BNO4/c9-7(10
    )5-2-1-3-6(4-5)8(11)12/h1
    -4,9-10H;
    ZNRGSYUVFVNSAW-UHFFFAOYSA-N    		 [O-][N+](=O)c1cc(B(O)O)ccc1; OB(O)c1cccc
    (c1)[N+]([O-])=O; B(c1cccc(c1)[N+](=O)[O
    -])(O)O    		 3-NITROPHENYLBORONIC ACID
    30076 NPC
    DB08295    		 6 C14 H17 N2 O6 InChI=1S/C14H18N2O6/c17-1
    2-6-5-10(8-11(12)16(21)22
    )9-13(18)15-7-3-1-2-4-14(
    19)20/h5-6,8,17H,1-4,7,9H
    2,(H,15,18)(H,19,20)/p-1;
    XAYGJFACOIKJCT-UHFFFAOYSA-M    		 c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)
    [O-])O; Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1
    [N+]([O-])=O; O=[N+]([O-])c1cc(ccc1O)CC(
    =O)NCCCCCC([O-])=O    		 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION
    30077 NPD 0 C14 H14 O InChI=1S/C14H14O/c1-11(10
    -15)9-13-7-4-6-12-5-2-3-8
    -14(12)13/h2-8,10-11H,9H2
    ,1H3/t11-/m0/s1;
    RZTRQNRBKAAPDM-NSHDSACASA-N    		 C[CH](Cc1cccc2ccccc12)C=O; C[C@@H](Cc1cc
    cc2c1cccc2)C=O; O=CC(C)Cc2cccc1ccccc12;
    CC(Cc1cccc2c1cccc2)C=O; C[C@@H](Cc1cccc2
    ccccc12)C=O    		 2-METHYL-3-NAPHTHALEN-1-YL-PROPIONALDEHYDE
    30078 NPE
    DB08296    		 4 C11 H13 N O7 P InChI=1S/C11H14NO7P/c13-1
    1(14)3-1-2-8-20(17,18)19-
    10-6-4-9(5-7-10)12(15)16/
    h4-7H,1-3,8H2,(H,13,14)(H
    ,17,18)/p-1;
    XVVZSEXTAACTPS-UHFFFAOYSA-M    		 OC(=O)CCCC[P]([O-])(=O)Oc1ccc(cc1)[N+]([
    O-])=O; c1cc(ccc1[N+](=O)[O-])OP(=O)(CCC
    CC(=O)O)[O-]; O=P([O-])(Oc1ccc(cc1)[N+](
    [O-])=O)CCCCC(=O)O; c1cc(ccc1[N+](=O)[O-
    ])O[P@@](=O)(CCCCC(=O)O)[O-]    		 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID
    30079 NPF
    DB08297
    ZINC000006031723    		 8 C12 H15 N O7 InChI=1S/C12H15NO7/c1-6-9
    (14)10(15)11(16)12(19-6)2
    0-8-5-3-2-4-7(8)13(17)18/
    h2-6,9-12,14-16H,1H3/t6-,
    9+,10+,11-,12+/m1/s1;
    SWRPIVXPHLYETN-BVWHHUJWSA-N    		 C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O
    )[CH](O)[CH]1O; C[C@@H]1[C@@H]([C@@H]([C
    @H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)
    O; C[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)
    [C@H](O)[C@@H](O)[C@H]1O; CC1C(C(C(C(O1)
    Oc2ccccc2[N+](=O)[O-])O)O)O; [O-][N+](=O
    )c2c(OC1OC(C(O)C(O)C1O)C)cccc2    		 2-nitrophenyl beta-D-fucopyranoside;
    ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE;
    2-nitrophenyl 6-deoxy-beta-D-galactopyranoside;
    2-nitrophenyl beta-D-fucoside;
    2-nitrophenyl D-fucoside;
    2-nitrophenyl fucoside
    30080 NPG
    DB03299    		 8 C12 H13 N O5 InChI=1S/C12H13NO5/c14-9(
    6-7-10(15)16)13-11(12(17)
    18)8-4-2-1-3-5-8/h1-5,11H
    ,6-7H2,(H,13,14)(H,15,16)
    (H,17,18)/t11-/m1/s1;
    GQFHIYFXQQEWME-LLVKDONJSA-N    		 OC(=O)CCC(=O)N[CH](C(O)=O)c1ccccc1; c1cc
    c(cc1)C(C(=O)O)NC(=O)CCC(=O)O; OC(=O)CCC
    (=O)N[C@@H](C(O)=O)c1ccccc1; O=C(O)CCC(=
    O)NC(C(=O)O)c1ccccc1; c1ccc(cc1)[C@H](C(
    =O)O)NC(=O)CCC(=O)O    		 N-SUCCINYL PHENYLGLYCINE
    30081 NPH
    DB04437
    ZINC000006079992    		 0 C17 H16 N4 O3 S InChI=1S/C17H16N4O3S/c18-
    12(17(23)24)8-25-9-14(22)
    21-13-7-10-3-1-5-19-15(10
    )16-11(13)4-2-6-20-16/h1-
    7,12H,8-9,18H2,(H,21,22)(
    H,23,24)/t12-/m0/s1;
    ZFGIPRHDRFOMFO-LBPRGKRZSA-N    		 c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(
    =O)O)N; N[CH](CSCC(=O)Nc1cc2cccnc2c3nccc
    c13)C(O)=O; c1cc2cc(c3cccnc3c2nc1)NC(=O)
    CSCC(C(=O)O)N; O=C(O)C(N)CSCC(=O)Nc2cc1c
    ccnc1c3ncccc23; N[C@@H](CSCC(=O)Nc1cc2cc
    cnc2c3ncccc13)C(O)=O    		 CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE
    30082 NPI
    DB03134
    ZINC000001594926    		 11 C7 H13 N O4 InChI=1S/C7H13NO4/c8-5(7(
    11)12)3-1-2-4-6(9)10/h5H,
    1-4,8H2,(H,9,10)(H,11,12)
    /t5-/m0/s1;
    JUQLUIFNNFIIKC-YFKPBYRVSA-N    		 O=C(O)C(N)CCCCC(=O)O; C(CCC(=O)O)CC(C(=O
    )O)N; C(CCC(=O)O)C[C@@H](C(=O)O)N; N[CH]
    (CCCCC(O)=O)C(O)=O; N[C@@H](CCCCC(O)=O)C
    (O)=O    		 (2S)-2-aminoheptanedioic acid;
    L-2-AMINOPIMELIC ACID
    30083 NPJ
    ZINC000004282193    		 3 C18 H25 N O13 InChI=1S/C18H25NO13/c20-5
    -9-11(22)12(23)14(25)18(3
    0-9)32-16-10(6-21)31-17(1
    5(26)13(16)24)29-8-3-1-7(
    2-4-8)19(27)28/h1-4,9-18,
    20-26H,5-6H2/t9-,10-,11-,
    12+,13-,14-,15-,16-,17+,1
    8-/m1/s1;
    IAYJZWFYUSNIPN-LTHBGAKLSA-N    		 c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O
    C3C(C(C(C(O3)CO)O)O)O)O)O; OC[CH]1O[CH](
    O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)Oc3ccc
    (cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;
    [O-][N+](=O)c3ccc(OC2OC(C(OC1OC(CO)C(O)C
    (O)C1O)C(O)C2O)CO)cc3; c1cc(ccc1[N+](=O)
    [O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O
    2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O
    3)CO)O)O)O)O)O; OC[C@H]1O[C@H](O[C@H]2[C
    @H](O)[C@@H](O)[C@H](O[C@@H]2CO)Oc3ccc(c
    c3)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1
    O    		 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE;
    P-NITROPHENYL MALTOSIDE
    30084 NPK
    ZINC000095920565    		 5 C20 H23 N3 O9 S InChI=1S/C20H23N3O9S/c1-1
    0(11-6-14-15(31-9-30-14)7
    -12(11)23(28)29)32-20(27)
    22-13-8-33-16(18(13)21-19
    (22)26)4-2-3-5-17(24)25/h
    6-7,10,13,16,18H,2-5,8-9H
    2,1H3,(H,21,26)(H,24,25)/
    t10-,13+,16-,18+/m1/s1;
    MVOCLTWEOIJKEV-JTWAPGJUSA-N    		 C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O
    )N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O
    ; CC(c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N
    3C4CSC(C4NC3=O)CCCCC(=O)O; C[CH](OC(=O)N
    1[CH]2CS[CH](CCCCC(O)=O)[CH]2NC1=O)c3cc4
    OCOc4cc3[N+]([O-])=O; C[C@@H](OC(=O)N1[C
    @H]2CS[C@H](CCCCC(O)=O)[C@H]2NC1=O)c3cc4
    OCOc4cc3[N+]([O-])=O; [O-][N+](=O)c1cc4O
    COc4cc1C(OC(=O)N2C(=O)NC3C(SCC23)CCCCC(=
    O)O)C    		 5-[(3aS,4R,6aR)-1-{[(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
    30085 NPL
    ZINC000006232635    		 2 C9 H16 N2 O5 P InChI=1S/C9H15N2O5P/c1-6-
    9(12)8(3-10)7(4-11(6)2)5-
    16-17(13,14)15/h4H,3,5,10
    H2,1-2H3,(H2-,12,13,14,15
    )/p+1;
    BDHMQTZHNOSTBZ-UHFFFAOYSA-O    		 Cc1c(O)c(CN)c(CO[P](O)(O)=O)c[n+]1C; Cc1
    c(c(c(c[n+]1C)COP(=O)(O)O)CN)O; O=P(O)(O
    )OCc1c[n+](c(c(O)c1CN)C)C    		 N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5-PHOSPHATE
    30086 NPM
    ZINC000001045493    		 0 C25 H20 N4 InChI=1S/C25H20N4/c1-3-15
    -26-24(5-1)18-28-22-11-7-
    20(8-12-22)17-21-9-13-23(
    14-10-21)29-19-25-6-2-4-1
    6-27-25/h1-16,18-19H,17H2
    /b28-18+,29-19+;
    OMZVNZJNZUGOJK-UOSOPFLXSA-N    		 c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C
    /c4ccccn4; N(/c1ccc(cc1)Cc3ccc(/N=C/c2nc
    ccc2)cc3)=C\c4ncccc4; C(c1ccc(cc1)N=Cc2c
    cccn2)c3ccc(cc3)N=Cc4ccccn4; c1ccnc(c1)C
    =Nc2ccc(cc2)Cc3ccc(cc3)N=Cc4ccccn4    		 N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE;
    1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE
    30087 NPN
    DB04050    		 4 C4 H7 N InChI=1S/C4H7N/c1-3-4-5-2
    /h3-4H2,1H3;
    FFDKYFGBIQQMSR-UHFFFAOYSA-N    		 isocyanide; CCC[N+]#[C-] N-PROPYL ISOCYANIDE
    30088 NPO
    CHEMBL14130
    DB04417
    ZINC000034828682    		 127 C6 H5 N O3 InChI=1S/C6H5NO3/c8-6-3-1
    -5(2-4-6)7(9)10/h1-4,8H;
    BTJIUGUIPKRLHP-UHFFFAOYSA-N    		 Oc1ccc(cc1)[N+]([O-])=O; O=[N+]([O-])c1c
    cc(O)cc1; c1cc(ccc1[N+](=O)[O-])O    		 P-NITROPHENOL
    30089 NPP 1 C17 H27 N6 O5 InChI=1S/C17H27N6O5/c1-16
    (2)9-11(10-17(3,4)23(16)2
    8)20-13-7-12(19-6-5-18)14
    (21(24)25)8-15(13)22(26)2
    7/h7-8,11,19-20H,5-6,9-10
    ,18H2,1-4H3/q-1;
    FOFORQYTEPGQOY-UHFFFAOYSA-N    		 [O-]N2C(CC(Nc1cc(NCCN)c([N+]([O-])=O)cc1
    [N+]([O-])=O)CC2(C)C)(C)C; CC1(C)CC(CC(C
    )(C)N1[O-])Nc2cc(NCCN)c(cc2[N+]([O-])=O)
    [N+]([O-])=O; CC1(CC(CC(N1[O-])(C)C)Nc2c
    c(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C    		 N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE
    30090 NPQ
    ZINC000000128209    		 10 C15 H15 N O3 InChI=1S/C15H15NO3/c1-10(
    17)16-14(15(18)19)9-11-6-
    7-12-4-2-3-5-13(12)8-11/h
    2-8,14H,9H2,1H3,(H,16,17)
    (H,18,19)/t14-/m0/s1;
    HGTIILKZSFKZMS-AWEZNQCLSA-N    		 CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O; CC(=O)N
    [C@@H](Cc1ccc2ccccc2c1)C(=O)O; CC(=O)N[C
    H](Cc1ccc2ccccc2c1)C(O)=O; CC(=O)N[C@@H]
    (Cc1ccc2ccccc2c1)C(O)=O    		 N-acetyl naphthylalanine
    30091 NPR 17 C9 H13 N5 O4 InChI=1S/C9H13N5O4/c10-9-
    13-7-5(8(18)14-9)12-3(1-1
    1-7)6(17)4(16)2-15/h4,6,1
    5-17H,1-2H2,(H4,10,11,13,
    14,18)/t4-,6-/m0/s1;
    YQIFAMYNGGOTFB-NJGYIYPDSA-N    		 NC1=NC(=O)C2=C(NCC(=N2)[CH](O)[CH](O)CO)
    N1; C1C(=NC2=C(N1)NC(=NC2=O)N)C(C(CO)O)O
    ; NC1=NC(=O)C2=C(NCC(=N2)[C@H](O)[C@@H](
    O)CO)N1; O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O)
    CO)N; C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([
    C@@H](CO)O)O    		 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE;
    7,8-DIHYDRONEOPTERIN
    30092 NPS
    CHEMBL154
    DB00788
    ZINC000000105216    		 23 C14 H14 O3 InChI=1S/C14H14O3/c1-9(14
    (15)16)10-3-4-12-8-13(17-
    2)6-5-11(12)7-10/h3-9H,1-
    2H3,(H,15,16)/t9-/m0/s1;
    CMWTZPSULFXXJA-VIFPVBQESA-N    		 CC(c1ccc2cc(ccc2c1)OC)C(=O)O; COc1ccc2cc
    (ccc2c1)[C@H](C)C(O)=O; O=C(O)C(c1ccc2c(
    c1)ccc(OC)c2)C; C[C@@H](c1ccc2cc(ccc2c1)
    OC)C(=O)O; COc1ccc2cc(ccc2c1)[CH](C)C(O)
    =O    		 (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
    NAPROXEN
    30093 NPT
    ZINC000001648992    		 0 C5 H13 N InChI=1S/C5H13N/c1-5(2,3)
    4-6/h4,6H2,1-3H3;
    XDIAMRVROCPPBK-UHFFFAOYSA-N    		 CC(C)(C)CN; NCC(C)(C)C NEOPENTYLAMINE
    30094 NPU
    CHEMBL1788114
    ZINC000000157548    		 1 C9 H13 N O InChI=1S/C9H13NO/c1-7(10)
    9(11)8-5-3-2-4-6-8/h2-7,9
    ,11H,10H2,1H3/t7-,9+/m1/s
    1;
    DLNKOYKMWOXYQA-APPZFPTMSA-N    		 CC(C(c1ccccc1)O)N; C[CH](N)[CH](O)c1cccc
    c1; OC(c1ccccc1)C(N)C; C[C@H]([C@@H](c1c
    cccc1)O)N; C[C@@H](N)[C@H](O)c1ccccc1    		 (1R,2R)-2-amino-1-phenylpropan-1-ol
    30095 NPV
    CHEMBL74078
    DB08299    		 5 C21 H13 N3 O4 InChI=1S/C21H13N3O4/c25-2
    1(26)14-8-6-13(7-9-14)18-
    12-16-4-2-10-22-19(16)20(
    23-18)15-3-1-5-17(11-15)2
    4(27)28/h1-12H,(H,25,26);
    QTNUWEKKZHSUQO-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1)c2cc3cccnc3c(n2)c4cccc(c
    4)[N+]([O-])=O; [O-][N+](=O)c1cccc(c1)c3
    nc(cc2c3nccc2)c4ccc(C(=O)O)cc4; c1cc(cc(
    c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(
    cc4)C(=O)O    		 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid
    30096 NPW
    ZINC000008219707    		 3 C21 H32 N7 O18 P3 InChI=1S/C21H32N7O18P3/c2
    2-17-12-19(25-6-24-17)28(
    7-26-12)21-16(45-47(34,35
    )36)14(31)10(44-21)5-42-4
    9(39,40)46-48(37,38)41-4-
    9-13(30)15(32)20(43-9)27-
    3-8(18(23)33)1-2-11(27)29
    /h3,6-7,9-11,13-16,20-21,
    29-32H,1-2,4-5H2,(H2,23,3
    3)(H,37,38)(H,39,40)(H2,2
    2,24,25)(H2,34,35,36)/t9-
    ,10-,11+,13-,14-,15-,16-,
    20-,21-/m1/s1;
    SZKXTJUOKARGIY-VPHRTNKSSA-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)OP(=O)(O)O)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[P](O)(O)=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[
    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(CCC5O)C(=O)N)O)O)O)OP(=O)(O)O)N    		 BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE
    30097 NPX
    CHEMBL1618254
    ZINC000000113439    		 13 C14 H14 O3 InChI=1S/C14H14O3/c1-9(14
    (15)16)10-3-4-12-8-13(17-
    2)6-5-11(12)7-10/h3-9H,1-
    2H3,(H,15,16)/t9-/m1/s1;
    CMWTZPSULFXXJA-SECBINFHSA-N    		 CC(c1ccc2cc(ccc2c1)OC)C(=O)O; C[C@H](c1c
    cc2cc(ccc2c1)OC)C(=O)O; COc1ccc2cc(ccc2c
    1)[C@@H](C)C(O)=O; O=C(O)C(c1ccc2c(c1)cc
    c(OC)c2)C; COc1ccc2cc(ccc2c1)[CH](C)C(O)
    =O    		 (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
    (R)-Naproxen
    30098 NPY
    CHEMBL16293
    ZINC000000967522    		 3 C10 H8 InChI=1S/C10H8/c1-2-6-10-
    8-4-3-7-9(10)5-1/h1-8H;
    UFWIBTONFRDIAS-UHFFFAOYSA-N    		 c12ccccc1cccc2; c1ccc2ccccc2c1 NAPHTHALENE
    30099 NPZ
    CHEMBL1234815
    DB08300
    ZINC000020149030    		 1 C16 H13 N5 InChI=1S/C16H13N5/c1-21-1
    6-13(15(17)18-9-19-16)14(
    20-21)12-7-6-10-4-2-3-5-1
    1(10)8-12/h2-9H,1H3,(H2,1
    7,18,19);
    UOKGZPYGRJDACN-UHFFFAOYSA-N    		 Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N; n1c
    (c2c(nc1)n(nc2c4cc3ccccc3cc4)C)N; Cn1nc(
    c2ccc3ccccc3c2)c4c(N)ncnc14    		 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    30100 NQ
    CHEMBL240963
    DB04744
    ZINC000004632115    		 2 C10 H6 O3 InChI=1S/C10H6O3/c11-8-5-
    9(12)10(13)7-4-2-1-3-6(7)
    8/h1-5,12H;
    CSFWPUWCSPOLJW-UHFFFAOYSA-N    		 OC1=CC(=O)c2ccccc2C1=O; O=C2c1c(cccc1)C(
    =O)C(O)=C2; c1ccc2c(c1)C(=O)C=C(C2=O)O    		 2-HYDROXYNAPHTHOQUINONE;
    2-HYDROXY-1,4-NAPHTHOQUINONE
    30101 NQ0 1 C18 H23 Cl2 N3 O2 InChI=1S/C18H23Cl2N3O2/c1
    9-11-16(24)21-12-13-5-9-2
    3(10-6-13)17(25)18(7-8-18
    )22-15-3-1-14(20)2-4-15/h
    1-4,13,22H,5-12H2,(H,21,2
    4);
    DHBSEKKUOIXZLH-UHFFFAOYSA-N    		 ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Nc3ccc(C
    l)cc3; c1cc(ccc1NC2(CC2)C(=O)N3CCC(CC3)C
    NC(=O)CCl)Cl    		 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
    30102 NQ1
    CHEMBL4520903    		 6 C20 H15 F N2 O InChI=1S/C20H15FN2O/c21-1
    5-10-11-18-19(12-15)23(13
    -14-6-2-1-3-7-14)20(24)16
    -8-4-5-9-17(16)22-18/h1-1
    2,22H,13H2;
    NKFCUHMOEKHJLB-UHFFFAOYSA-N    		 c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F; c
    32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O;
    Fc1ccc2Nc3ccccc3C(=O)N(Cc4ccccc4)c2c1    		 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
    30103 NQ2
    CHEMBL4556087    		 1 C25 H35 N3 O6 S InChI=1S/C25H35N3O6S/c1-2
    5(2,29)20-5-7-28(8-6-20)9
    -10-34-23-13-17(11-19-15-
    33-16-21(19)23)18-12-22(2
    7-35(4,30)31)24(32-3)26-1
    4-18/h11-14,20,27,29H,5-1
    0,15-16H2,1-4H3;
    YTBODSVQSOILIJ-UHFFFAOYSA-N    		 COc1ncc(cc1N[S](C)(=O)=O)c2cc3COCc3c(OCC
    N4CCC(CC4)C(C)(C)O)c2; CC(C)(C1CCN(CC1)C
    COc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O
    )C)O    		 ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide
    30104 NQ3 1 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c1-1
    1-5-6-17-10-14(11)19-8-7-
    18(15(19)20)13-4-2-3-12(1
    6)9-13/h2-10H,1H3;
    NCRWUWJGTHEGCI-UHFFFAOYSA-N    		 Cc1ccncc1N2C=CN(c3cccc(Cl)c3)C2=O; Cc1cc
    ncc1N2C=CN(C2=O)c3cccc(c3)Cl; Clc1cccc(c
    1)N1C=CN(c2cnccc2C)C1=O    		 (1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one
    30105 NQ4 1 C9 H16 N3 O12 P3 InChI=1S/C9H16N3O12P3/c10
    -7-3-4-12(9(13)11-7)8-2-1
    -6(22-8)5-21-26(17,18)24-
    27(19,20)23-25(14,15)16/h
    3-4,6,8H,1-2,5H2,(H,17,18
    )(H,19,20)(H2,10,11,13)(H
    2,14,15,16)/t6-,8+/m1/s1;
    ARLKCWCREKRROD-SVRRBLITSA-N    		 NC1=NC(=O)N(C=C1)[C@@H]2CC[C@H](CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)O2; C1CC(OC1
    COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC
    2=O)N; C1C[C@H](O[C@H]1COP(=O)(O)OP(=O)(
    O)OP(=O)(O)O)N2C=CC(=NC2=O)N; NC1=NC(=O)
    N(C=C1)[CH]2CC[CH](CO[P](O)(=O)O[P](O)(=
    O)O[P](O)(O)=O)O2    		 [[(2~{R},5~{S})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    30106 NQ5
    CHEMBL4579923    		 1 C25 H33 N3 O8 S InChI=1S/C25H33N3O8S/c1-3
    1-5-6-37(29,30)27-23-8-18
    (10-26-25(23)32-2)17-7-19
    -12-33-16-22(19)24(9-17)3
    6-15-21-11-28(3-4-35-21)2
    0-13-34-14-20/h7-10,20-21
    ,27H,3-6,11-16H2,1-2H3/t2
    1-/m1/s1;
    ZWPJBXLFZFLGMV-OAQYLSRUSA-N    		 COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(
    OC[C@H]4CN(CCO4)C5COC5)c2; COCCS(=O)(=O)
    Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4
    )C5COC5)COC3; COCCS(=O)(=O)Nc1cc(cnc1OC)
    c2cc3c(c(c2)OCC4CN(CCO4)C5COC5)COC3; COC
    C[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[
    CH]4CN(CCO4)C5COC5)c2    		 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide
    30107 NQ6 2 C9 H11 N3 O3 InChI=1S/C9H11N3O3/c10-6(
    9(14)15)5-8(13)12-7-3-1-2
    -4-11-7/h1-4,6H,5,10H2,(H
    ,14,15)(H,11,12,13)/t6-/m
    0/s1;
    HEYRGJOINQMKAJ-LURJTMIESA-N    		 N[CH](CC(=O)Nc1ccccn1)C(O)=O; c1ccnc(c1)
    NC(=O)CC(C(=O)O)N; c1ccnc(c1)NC(=O)C[C@@
    H](C(=O)O)N; O=C(Nc1ccccn1)CC(N)C(=O)O;
    N[C@@H](CC(=O)Nc1ccccn1)C(O)=O    		 N-(pyridin-2-yl)-L-asparagine
    30108 NQ7 4 C13 H13 N3 O2 InChI=1S/C13H13N3O2/c1-7(
    11-12(17)16-13(14)18-11)9
    -6-15-10-5-3-2-4-8(9)10/h
    2-7,11,15H,1H3,(H2,14,16,
    17)/t7-,11+/m1/s1;
    JMQXZRUQJGJVSC-HQJQHLMTSA-N    		 C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O
    3)N; C[CH]([CH]1OC(=NC1=O)N)c2c[nH]c3ccc
    cc23; c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23
    ; C[C@@H]([C@@H]1OC(=NC1=O)N)c2c[nH]c3cc
    ccc23; CC(c1c[nH]c2c1cccc2)C3C(=O)N=C(O3
    )N    		 (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
    30109 NQ8
    ZINC000004721039    		 2 C19 H30 O InChI=1S/C19H30O/c1-18-9-
    3-4-16(18)15-6-5-13-12-14
    (20)7-11-19(13,2)17(15)8-
    10-18/h13,15-17H,3-12H2,1
    -2H3/t13-,15-,16-,17-,18-
    ,19-/m0/s1;
    VMNRNUNYBVFVQI-QYXZOKGRSA-N    		 C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC
    [C@@]4([C@H]3CC2)C; C[C]12CCC[CH]1[CH]3C
    C[CH]4CC(=O)CC[C]4(C)[CH]3CC2; CC12CCCC1
    C3CCC4CC(=O)CCC4(C3CC2)C; C[C@@]12CCC[C@
    H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3
    CC2    		 (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
    30110 NQ9 1 C21 H29 Cl2 N3 O3 InChI=1S/C21H29Cl2N3O3/c2
    2-13-19(27)25-14-15-7-11-
    26(12-8-15)20(28)21(9-5-1
    7(24)6-10-21)29-18-3-1-16
    (23)2-4-18/h1-4,15,17H,5-
    14,24H2,(H,25,27)/t17-,21
    +;
    KWPFQQCLIJGRNM-UEDWGHLCSA-N    		 N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC
    [CH](CC3)CNC(=O)CCl; c1cc(ccc1OC2(CCC(CC
    2)N)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl; N[C@H]
    1CC[C@](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC[C@@
    H](CC3)CNC(=O)CCl    		 N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
    30111 NQB
    CHEMBL2031465
    ZINC000084651956    		 1 C24 H27 N5 O2 InChI=1S/C24H27N5O2/c1-16
    -3-4-17(23(30)26-18-5-6-1
    8)13-22(16)29-15-25-21-8-
    7-19(14-20(21)24(29)31)28
    -11-9-27(2)10-12-28/h3-4,
    7-8,13-15,18H,5-6,9-12H2,
    1-2H3,(H,26,30);
    ZMAZXHICVRYLQN-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(ccc
    4C)C(=O)NC5CC5; Cc1ccc(cc1N2C=Nc3ccc(cc3
    C2=O)N4CCN(CC4)C)C(=O)NC5CC5; O=C(NC1CC1
    )c2cc(c(cc2)C)N3C(=O)c4cc(ccc4N=C3)N5CCN
    (C)CC5    		 N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE
    30112 NQC 1 C25 H21 Cl N2 O5 InChI=1S/C25H21ClN2O5/c1-
    14-17(23(31)22-19(29)7-4-
    8-20(22)30)9-10-18-21(14)
    24(32)28(25(33)27(18)2)12
    -11-15-5-3-6-16(26)13-15/
    h3-7,9-10,13,29H,8,11-12H
    2,1-2H3;
    VETBCFZZZDFSIR-UHFFFAOYSA-N    		 Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCc3cccc(c3)C
    l)C(=O)C4=C(C=CCC4=O)O; CN1C(=O)N(CCc2cc
    cc(Cl)c2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)
    C=CCC4=O    		 3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione
    30113 NQD
    ZINC000238752930    		 4 C27 H38 O4 InChI=1S/C27H38O4/c1-19(1
    1-7-13-21(3)26(29)30)9-6-
    10-20(2)12-8-15-27(5)16-1
    4-23-18-24(28)17-22(4)25(
    23)31-27/h9,12-13,17-18,2
    8H,6-8,10-11,14-16H2,1-5H
    3,(H,29,30)/b19-9+,20-12+
    ,21-13-/t27-/m1/s1;
    QOFWRHWADNWKSU-HGPKLCRWSA-N    		 C\C(CC\C=C(\C)C(O)=O)=C/CC\C(C)=C\CC[C@]
    1(C)CCc2cc(O)cc(C)c2O1; C(C\C(=C\CCC2(C)
    CCc1cc(cc(c1O2)C)O)C)[C@H]=C(C)CC\C=C(/C
    (=O)O)C; Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(
    \C)/CC/C=C(\C)/CC/C=C(/C)\C(=O)O)O; CC(C
    CC=C(C)C(O)=O)=CCCC(C)=CCC[C]1(C)CCc2cc(
    O)cc(C)c2O1; Cc1cc(cc2c1OC(CC2)(C)CCC=C(
    C)CCC=C(C)CCC=C(C)C(=O)O)O    		 (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid;
    garcinoic acid
    30114 NQE
    CHEMBL4471490
    ZINC000075094274    		 1 C15 H13 N5 O InChI=1S/C15H13N5O/c1-19-
    12-6-5-11(8-13(12)20(2)15
    (19)21)18-14-10(9-16)4-3-
    7-17-14/h3-8H,1-2H3,(H,17
    ,18);
    PLONIHFWCNPQPN-UHFFFAOYSA-N    		 CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N; CN1
    C(=O)N(C)c2cc(Nc3ncccc3C#N)ccc12    		 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
    30115 NQF
    CHEMBL5221942    		 8 C23 H24 N4 O3 InChI=1S/C23H24N4O3/c1-14
    -17-5-3-4-6-19(17)30-20(1
    4)13-27(2)21(28)10-7-15-1
    1-16-8-9-18(24)23(29)26-2
    2(16)25-12-15/h3-7,10-12,
    18H,8-9,13,24H2,1-2H3,(H,
    25,26,29)/b10-7+/t18-/m1/
    s1;
    ZWQNEFFHBSGFHV-RUJXFNLJSA-N    		 NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2
    ccccc2c1C; CN(Cc1oc2ccccc2c1C)C(=O)C=Cc3
    cnc4NC(=O)[CH](N)CCc4c3; Cc1c2ccccc2oc1C
    N(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)[C@@H](CC
    4)N; CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c3cnc4
    NC(=O)[C@H](N)CCc4c3; Cc1c2ccccc2oc1CN(C
    )C(=O)C=Cc3cc4c(nc3)NC(=O)C(CC4)N    		 (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
    30116 NQG
    ZINC000016052252    		 1 C28 H39 N9 O7 InChI=1S/C28H39N9O7/c1-2-
    44-23(39)14-22(38)27(43)3
    6-19(9-5-11-29)25(41)35-2
    0(10-6-12-33-28(31)32)26(
    42)37-21(24(30)40)13-16-1
    5-34-18-8-4-3-7-17(16)18/
    h3-4,7-8,15,19-22,34,38H,
    2,5-6,9-10,12-14H2,1H3,(H
    2,30,40)(H,35,41)(H,36,43
    )(H,37,42)(H4,31,32,33)/t
    19-,20-,21-,22-/m0/s1;
    QRCIRXHNWBRPBN-CMOCDZPBSA-N    		 O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=
    O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CCC#N;
    [H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1
    c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N)
    NC(=O)[C@H](CC(=O)OCC)O; CCOC(=O)C[CH](O
    )C(=O)N[CH](CCC#N)C(=O)N[CH](CCCNC(N)=N)
    C(=O)N[CH](Cc1c[nH]c2ccccc12)C(N)=O; CCO
    C(=O)C[C@H](O)C(=O)N[C@@H](CCC#N)C(=O)N[
    C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2
    ccccc12)C(N)=O; [H]N=C(N)NCCCC(C(=O)NC(C
    c1c[nH]c2c1cccc2)C(=O)N)NC(=O)C(CCC#N)NC
    (=O)C(CC(=O)OCC)O    		 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE
    30117 NQH
    CHEMBL4464160    		 1 C10 H10 Cl N3 InChI=1S/C10H10ClN3/c11-1
    0-8(5-12)9(3-4-13-10)14-6
    -7-1-2-7/h3-4,7H,1-2,6H2,
    (H,13,14);
    NLBNRXHKCJFZBY-UHFFFAOYSA-N    		 c1cnc(c(c1NCC2CC2)C#N)Cl; Clc1nccc(NCC2C
    C2)c1C#N    		 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile
    30118 NQI
    ZINC000016052253    		 1 C28 H40 N8 O7 InChI=1S/C28H40N8O7/c1-3-
    8-19(35-27(42)22(37)14-23
    (38)43-4-2)25(40)34-20(11
    -7-12-32-28(30)31)26(41)3
    6-21(24(29)39)13-16-15-33
    -18-10-6-5-9-17(16)18/h3,
    5-6,9-10,15,19-22,33,37H,
    1,4,7-8,11-14H2,2H3,(H2,2
    9,39)(H,34,40)(H,35,42)(H
    ,36,41)(H4,30,31,32)/t19-
    ,20-,21-,22+/m0/s1;
    ZPQHLTRUUXVSLS-MYGLTJDJSA-N    		 CCOC(=O)C[CH](O)C(=O)N[CH](CC=C)C(=O)N[C
    H](CCCNC(N)=N)C(=O)N[CH](Cc1c[nH]c2ccccc
    12)C(N)=O; [H]N=C(N)NCCCC(C(=O)NC(Cc1c[n
    H]c2c1cccc2)C(=O)N)NC(=O)C(CC=C)NC(=O)C(
    CC(=O)OCC)O; [H]/N=C(\N)/NCCC[C@@H](C(=O
    )N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)
    [C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O; CCO
    C(=O)C[C@@H](O)C(=O)N[C@@H](CC=C)C(=O)N[
    C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2
    ccccc12)C(N)=O; O=C(OCC)CC(O)C(=O)NC(C(=
    O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC
    (=[N@H])N)C\C=C    		 N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE
    30119 NQJ
    CHEMBL4560286    		 1 C23 H20 Cl F3 N2 O5 S2 InChI=1S/C23H20ClF3N2O5S2
    /c1-13-10-19(20(30)28-18(
    21(31)34-2)11-14-6-4-3-5-
    7-14)35-22(13)36(32,33)29
    -17-12-15(23(25,26)27)8-9
    -16(17)24/h3-10,12,18,29H
    ,11H2,1-2H3,(H,28,30)/t18
    -/m1/s1;
    YYXGZAWTALWJLJ-GOSISDBHSA-N    		 Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)
    C(=O)N[C@H](Cc3ccccc3)C(=O)OC; COC(=O)[C
    H](Cc1ccccc1)NC(=O)c2sc(c(C)c2)[S](=O)(=
    O)Nc3cc(ccc3Cl)C(F)(F)F; COC(C(Cc1ccccc1
    )NC(c3cc(C)c(S(Nc2c(ccc(c2)C(F)(F)F)Cl)(
    =O)=O)s3)=O)=O; Cc1cc(sc1S(=O)(=O)Nc2cc(
    ccc2Cl)C(F)(F)F)C(=O)NC(Cc3ccccc3)C(=O)O
    C; COC(=O)[C@@H](Cc1ccccc1)NC(=O)c2sc(c(
    C)c2)[S](=O)(=O)Nc3cc(ccc3Cl)C(F)(F)F    		 methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
    30120 NQK
    CHEMBL4542555    		 1 C15 H12 Cl N5 O InChI=1S/C15H12ClN5O/c1-2
    0-12-4-3-9(7-13(12)21(2)1
    5(20)22)19-11-5-6-18-14(1
    6)10(11)8-17/h3-7H,1-2H3,
    (H,18,19);
    OTSZAULBNXSOMT-UHFFFAOYSA-N    		 CN1C(=O)N(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc12;
    CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl    		 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
    30121 NQL 1 C20 H29 Cl N4 O2 InChI=1S/C20H29ClN4O2/c21
    -14-18(26)23-15-16-6-12-2
    5(13-7-16)19(27)20(8-10-2
    2-11-9-20)24-17-4-2-1-3-5
    -17/h1-5,16,22,24H,6-15H2
    ,(H,23,26);
    XANXFUXIXRLBSI-UHFFFAOYSA-N    		 c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(
    =O)CCl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNC
    C2)Nc3ccccc3    		 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide
    30122 NQM 4 C7 H6 O7 InChI=1S/C7H6O7/c8-4(7(13
    )14)1-3(6(11)12)2-5(9)10/
    h2H,1H2,(H,9,10)(H,11,12)
    (H,13,14)/b3-2+;
    ODTDYYZJDQGKQT-NSCUHMNNSA-N    		 OC(=O)C=C(CC(=O)C(O)=O)C(O)=O; O=C(C(CC(
    =C/C(O)=O)\C(O)=O)=O)O; C(/C(=C\C(=O)O)/
    C(=O)O)C(=O)C(=O)O; C(C(=CC(=O)O)C(=O)O)
    C(=O)C(=O)O; OC(=O)\C=C(CC(=O)C(O)=O)\C(
    O)=O    		 (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
    30123 NQN
    CHEMBL4550751    		 1 C18 H18 Cl N5 O2 InChI=1S/C18H18ClN5O2/c1-
    11(25)6-8-24-16-9-12(3-4-
    15(16)23(2)18(24)26)22-14
    -5-7-21-17(19)13(14)10-20
    /h3-5,7,9,11,25H,6,8H2,1-
    2H3,(H,21,22)/t11-/m1/s1;
    YEBUIPXITBJLFQ-LLVKDONJSA-N    		 CC(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)C
    l)O; C[CH](O)CCN1C(=O)N(C)c2ccc(Nc3ccnc(
    Cl)c3C#N)cc12; C[C@H](CCN1c2cc(ccc2N(C1=
    O)C)Nc3ccnc(c3C#N)Cl)O; C[C@@H](O)CCN1C(
    =O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12    		 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
    30124 NQO 1 C13 H12 Cl N3 O InChI=1S/C13H12ClN3O/c1-9
    -5-6-15-17-13(9)16-12(18)
    8-10-3-2-4-11(14)7-10/h2-
    7H,8H2,1H3,(H,16,17,18);
    ZNGNXXLXHHJCCJ-UHFFFAOYSA-N    		 Cc1ccnnc1NC(=O)Cc2cccc(Cl)c2; Cc1ccnnc1N
    C(=O)Cc2cccc(c2)Cl; Cc1ccnnc1NC(=O)Cc1cc
    cc(Cl)c1    		 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
    30125 NQP
    CHEMBL4474288    		 2 C31 H42 N6 O4 InChI=1S/C31H42N6O4/c1-5-
    6-15-36-26-9-10-28(34-29(
    26)37(21(2)31(36)39)24-13
    -18-41-19-14-24)33-25-8-7
    -22(20-27(25)40-4)30(38)3
    2-23-11-16-35(3)17-12-23/
    h5,7-10,20-21,23-24H,1,6,
    11-19H2,2-4H3,(H,32,38)(H
    ,33,34)/t21-/m1/s1;
    YEZKKIMJJAQTOO-OAQYLSRUSA-N    		 CC1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4
    OC)C(=O)NC5CCN(CC5)C)CCC=C; C[C@@H]1C(=O
    )N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O
    )NC5CCN(CC5)C)CCC=C; [C@H](=C)CCN5c3ccc(
    Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CC
    OCC4)C(C5=O)C; COc1cc(ccc1Nc2ccc3N(CCC=C
    )C(=O)[CH](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN
    (C)CC5; COc1cc(ccc1Nc2ccc3N(CCC=C)C(=O)[
    C@@H](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN(C)CC
    5    		 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
    30126 NQQ
    CHEMBL4572689    		 1 C19 H20 Cl N5 O2 InChI=1S/C19H20ClN5O2/c1-
    19(2,27)7-9-25-16-10-12(4
    -5-15(16)24(3)18(25)26)23
    -14-6-8-22-17(20)13(14)11
    -21/h4-6,8,10,27H,7,9H2,1
    -3H3,(H,22,23);
    MSNMXJGUICGVME-UHFFFAOYSA-N    		 CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#
    N)Cl)O; CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3ccn
    c(Cl)c3C#N)ccc12    		 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
    30127 NQR
    ZINC000004902118    		 1 C18 H18 N2 O2 InChI=1S/C18H18N2O2/c1-12
    -14-11-16(18(21)20-9-5-2-
    6-10-20)22-17(14)13-7-3-4
    -8-15(13)19-12/h3-4,7-8,1
    1H,2,5-6,9-10H2,1H3;
    CKBASHMUSIQRHS-UHFFFAOYSA-N    		 Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1; Cc1
    c2cc(oc2c3ccccc3n1)C(=O)N4CCCCC4; Cc1nc2
    ccccc2c3oc(cc13)C(=O)N4CCCCC4    		 (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone
    30128 NQS
    CHEMBL4475735
    ZINC000001729754    		 2 C12 H10 O3 S InChI=1S/C12H10O3S/c13-5-
    6-16-11-7-10(14)8-3-1-2-4
    -9(8)12(11)15/h1-4,7,13H,
    5-6H2;
    IBLOZMPODBITIK-UHFFFAOYSA-N    		 O=C2c1c(cccc1)C(=O)C(SCCO)=C2; c1ccc2c(c
    1)C(=O)C=C(C2=O)SCCO; OCCSC1=CC(=O)c2ccc
    cc2C1=O    		 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione
    30129 NQT
    CHEMBL4451702    		 1 C22 H26 Cl N7 O2 InChI=1S/C22H26ClN7O2/c1-
    13-10-14(2)30(27-13)20-24
    -12-16(23)19(26-20)25-15-
    6-7-17-18(11-15)29(21(31)
    28(17)5)9-8-22(3,4)32/h6-
    7,10-12,32H,8-9H2,1-5H3,(
    H,24,25,26);
    UQSUWLFWPLYJIQ-UHFFFAOYSA-N    		 CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)n
    4nc(C)cc4C)ccc12; Cc1cc(n(n1)c2ncc(c(n2)
    Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C    		 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30130 NQU 1 C21 H28 Cl2 N2 O3 InChI=1S/C21H28Cl2N2O3/c2
    2-14-19(26)24-15-16-8-12-
    25(13-9-16)20(27)21(10-2-
    1-3-11-21)28-18-6-4-17(23
    )5-7-18/h4-7,16H,1-3,8-15
    H2,(H,24,26);
    DPPVFRFCFQIPRQ-UHFFFAOYSA-N    		 c1cc(ccc1OC2(CCCCC2)C(=O)N3CCC(CC3)CNC(=
    O)CCl)Cl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC
    CCC2)Oc3ccc(Cl)cc3    		 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
    30131 NQV
    CHEMBL4539891    		 1 C30 H42 N6 O3 InChI=1S/C30H42N6O3/c1-19
    (2)39-26-18-21(29(37)31-2
    2-14-16-34(4)17-15-22)10-
    11-24(26)32-27-13-12-25-2
    8(33-27)36(23-8-6-7-9-23)
    20(3)30(38)35(25)5/h10-13
    ,18-20,22-23H,6-9,14-17H2
    ,1-5H3,(H,31,37)(H,32,33)
    /t20-/m1/s1;
    AGCMTUNUCHFYSQ-HXUWFJFHSA-N    		 CC(C)Oc1cc(ccc1Nc2ccc3N(C)C(=O)[C@@H](C)
    N(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5; C[C@@H
    ]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC
    (C)C)C(=O)NC5CCN(CC5)C)C; CC1C(=O)N(c2cc
    c(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5
    CCN(CC5)C)C; CC(C)Oc1cc(ccc1Nc2ccc3N(C)C
    (=O)[CH](C)N(C4CCCC4)c3n2)C(=O)NC5CCN(C)
    CC5; c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC
    (C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O    		 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide
    30132 NQW
    CHEMBL4476234    		 1 C23 H31 Cl N6 O3 InChI=1S/C23H31ClN6O3/c1-
    14-12-29(13-15(2)33-14)21
    -25-11-17(24)20(27-21)26-
    16-6-7-18-19(10-16)30(22(
    31)28(18)5)9-8-23(3,4)32/
    h6-7,10-11,14-15,32H,8-9,
    12-13H2,1-5H3,(H,25,26,27
    )/t14-,15+;
    JPAZTMKUVSFPAZ-GASCZTMLSA-N    		 C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3cc
    c4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl; CC1CN(C
    C(O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C
    )CCC(C)(C)O)Cl; C[CH]1CN(C[CH](C)O1)c2nc
    c(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3
    )n2; C[C@@H]1CN(C[C@H](C)O1)c2ncc(Cl)c(N
    c3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2    		 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30133 NQX 1 C23 H28 N4 O5 InChI=1S/C23H28N4O5/c1-11
    -10-12(2)25-22(24-11)27-2
    1(31)18-13(3)14(8-9-15(18
    )26(4)23(27)32)20(30)19-1
    6(28)6-5-7-17(19)29/h8-10
    ,16-17,19-20,28-30H,5-7H2
    ,1-4H3/t16-,17-,20+/m1/s1;
    MLZUNIVRBBBYRG-HLIPFELVSA-N    		 CN1C(=O)N(C(=O)c2c(C)c(ccc12)[C@H](O)C3[
    C@H](O)CCC[C@H]3O)c4nc(C)cc(C)n4; Cc1cc(
    nc(n1)N2C(=O)c3c(c(ccc3N(C2=O)C)C(C4C(CC
    CC4O)O)O)C)C; Cc1cc(nc(n1)N2C(=O)c3c(c(c
    cc3N(C2=O)C)[C@@H](C4[C@@H](CCC[C@H]4O)O
    )O)C)C; CN1C(=O)N(C(=O)c2c(C)c(ccc12)[CH
    ](O)C3[CH](O)CCC[CH]3O)c4nc(C)cc(C)n4    		 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(4,6-dimethylpyrimidin-2-yl)-1,5-dimethyl-quinazoline-2,4-dione
    30134 NQY
    CHEMBL4573352    		 1 C26 H34 N6 O3 InChI=1S/C26H34N6O3/c1-30
    -14-11-18(12-15-30)27-25(
    33)17-7-8-19(22(16-17)35-
    3)28-23-10-9-20-24(29-23)
    32-13-5-4-6-21(32)26(34)3
    1(20)2/h7-10,16,18,21H,4-
    6,11-15H2,1-3H3,(H,27,33)
    (H,28,29)/t21-/m1/s1;
    AVGGLPRMVXANOV-OAQYLSRUSA-N    		 CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c(
    n3)N5CCCCC5C(=O)N4C; CN1CCC(CC1)NC(=O)c2
    ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(=
    O)N4C; COc1cc(ccc1Nc2ccc3N(C)C(=O)[C@H]4
    CCCCN4c3n2)C(=O)NC5CCN(C)CC5; COc1cc(ccc
    1Nc2ccc3N(C)C(=O)[CH]4CCCCN4c3n2)C(=O)NC
    5CCN(C)CC5; c2c1N(C(=O)C5CCCCN5c1nc(c2)N
    c4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C    		 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide
    30135 NQZ
    CHEMBL4445645    		 1 C24 H31 Cl F2 N6 O2 InChI=1S/C24H31ClF2N6O2/c
    1-14-12-32(13-15(2)24(14,
    26)27)21-28-11-17(25)20(3
    0-21)29-16-6-7-18-19(10-1
    6)33(22(34)31(18)5)9-8-23
    (3,4)35/h6-7,10-11,14-15,
    35H,8-9,12-13H2,1-5H3,(H,
    28,29,30)/t14-,15+;
    VFNPUAOAEFMXQI-GASCZTMLSA-N    		 C[CH]1CN(C[CH](C)C1(F)F)c2ncc(Cl)c(Nc3cc
    c4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2; CC1CN(C
    C(C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O
    )N4C)CCC(C)(C)O)Cl; C[C@@H]1CN(C[C@H](C)
    C1(F)F)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(
    C)(C)O)c4c3)n2; C[C@@H]1CN(C[C@@H](C1(F)
    F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CC
    C(C)(C)O)Cl    		 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30136 NR0 0 C13 H17 N7 O4 InChI=1S/C13H17N7O4/c14-7
    -3-24-4-8(7)20(2-10(22)23
    )9(21)1-19-6-18-11-12(15)
    16-5-17-13(11)19/h5-8H,1-
    4,14H2,(H,22,23)(H2,15,16
    ,17)/t7-,8-/m0/s1;
    NDSRPVXXSCHUPN-YUMQZZPRSA-N    		 c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)C3COCC
    3N)N; c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)
    [C@H]3COC[C@@H]3N)N; N[CH]1COC[CH]1N(CC(
    O)=O)C(=O)Cn2cnc3c(N)ncnc23; N[C@H]1COC[
    C@@H]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23;
    OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21    		 N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide
    30137 NR1 0 C5 H13 N O5 P InChI=1S/C5H12NO5P/c7-5-2
    -6-1-4(5)3-11-12(8,9)10/h
    4-7H,1-3H2,(H2,8,9,10)/p+
    1/t4-,5+/m1/s1;
    DZBMWXHITVAZTC-UHNVWZDZSA-O    		 P(O)(O)(=O)OCC1C(C[NH2+]C1)O; O[CH]1C[NH
    2+]C[CH]1CO[P](O)(O)=O; C1C(C(C[NH2+]1)O
    )COP(=O)(O)O; C1[C@@H]([C@H](C[NH2+]1)O)
    COP(=O)(O)O; O[C@H]1C[NH2+]C[C@@H]1CO[P]
    (O)(O)=O    		 (3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium
    30138 NR2
    CHEMBL78755
    DB08301
    ZINC000026474822    		 2 C14 H15 N3 O5 S2 InChI=1S/C14H15N3O5S2/c1-
    10-2-6-13(7-3-10)24(21,22
    )17-14(18)16-11-4-8-12(9-
    5-11)23(15,19)20/h2-9H,1H
    3,(H2,15,19,20)(H2,16,17,
    18);
    HDCXQTPVTAIPNZ-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(cc1)C)NC(=O)Nc2ccc(cc2)S(=
    O)(=O)N; Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2
    ccc(cc2)[S](N)(=O)=O; Cc1ccc(cc1)S(=O)(=
    O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N    		 N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE
    30139 NR3 1 C12 H24 O12 S2 InChI=1S/C12H24O12S2/c13-
    1-5(15)10(19)11(20)12(24-
    26(21,22)23)7(17)4-25-3-6
    (16)9(18)8(25)2-14/h5-20H
    ,1-4H2/t5-,6+,7+,8+,9-,10
    -,11+,12+,25-/m0/s1;
    OMKXVFDVAGCPBS-HTOPOKEGSA-N    		 C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]
    ([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[
    O-])O)CO)O)O; C1C(C(C([S+]1CC(C(C(C(C(CO
    )O)O)O)OS(=O)(=O)[O-])O)CO)O)O; OC[CH](O
    )[CH](O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH
    ](O)C[S+]1C[CH](O)[CH](O)[CH]1CO; OC[C@H
    ](O)[C@H](O)[C@@H](O)[C@H](O[S]([O-])(=O
    )=O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@
    H]1CO    		 (1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
    30140 NR4 1 C12 H24 O12 S2 InChI=1S/C12H24O12S2/c13-
    1-5(15)10(19)11(20)12(24-
    26(21,22)23)7(17)4-25-3-6
    (16)9(18)8(25)2-14/h5-20H
    ,1-4H2/t5-,6-,7-,8-,9+,10
    +,11-,12-,25+/m1/s1;
    OMKXVFDVAGCPBS-WJKNVNJGSA-N    		 C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)OS(=O)(
    =O)[O-])O)CO)O)O; OC[CH](O)[CH](O)[CH](O
    )[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH
    ](O)[CH](O)[CH]1CO; OC[C@@H](O)[C@H](O)[
    C@@H](O)[C@H](O[S]([O-])(=O)=O)[C@H](O)C
    [S@+]1C[C@@H](O)[C@H](O)[C@H]1CO; C1[C@H
    ]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H
    ]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O
    )CO)O)O    		 (1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
    30141 NR5
    CHEMBL4574515    		 1 C25 H35 Cl N6 O3 InChI=1S/C25H35ClN6O3/c1-
    23(2,34)10-11-32-19-12-16
    (8-9-18(19)30(7)22(32)33)
    28-20-17(26)13-27-21(29-2
    0)31-14-24(3,4)35-25(5,6)
    15-31/h8-9,12-13,34H,10-1
    1,14-15H2,1-7H3,(H,27,28,
    29);
    BGCPLWWYPZAURQ-UHFFFAOYSA-N    		 CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3
    )N(C(=O)N4C)CCC(C)(C)O)Cl)C; CN1C(=O)N(C
    CC(C)(C)O)c2cc(Nc3nc(ncc3Cl)N4CC(C)(C)OC
    (C)(C)C4)ccc12    		 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30142 NR6 1 C18 H22 Cl2 N2 O3 InChI=1S/C18H22Cl2N2O3/c1
    9-11-16(23)21-12-13-5-9-2
    2(10-6-13)17(24)18(7-8-18
    )25-15-3-1-14(20)2-4-15/h
    1-4,13H,5-12H2,(H,21,23);
    QXDWNDTZFISQJX-UHFFFAOYSA-N    		 ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Oc3ccc(C
    l)cc3; c1cc(ccc1OC2(CC2)C(=O)N3CCC(CC3)C
    NC(=O)CCl)Cl    		 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
    30143 NR7
    CHEMBL4438562
    ZINC000205444408    		 1 C29 H30 Cl N5 O4 InChI=1S/C29H30ClN5O4/c1-
    39-29(38)32-21-10-11-22-2
    3(16-21)33-26(36)9-4-2-3-
    8-25(28-31-17-24(22)34-28
    )35-13-12-19(15-27(35)37)
    18-6-5-7-20(30)14-18/h2-3
    ,5-7,10-11,14,16-17,19,25
    H,4,8-9,12-13,15H2,1H3,(H
    ,31,34)(H,32,38)(H,33,36)
    /b3-2+/t19-,25-/m0/s1;
    YMEHWISYYMKMFO-WOMRJYOTSA-N    		 COC(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH]
    cc2n3)N4CCC(CC4=O)c5cccc(c5)Cl; COC(=O)N
    c1ccc2c(NC(=O)CCC=CC[CH](N3CC[CH](CC3=O)
    c4cccc(Cl)c4)c5[nH]cc2n5)c1; COC(=O)Nc1c
    cc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n
    3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl; COC(=O)
    Nc1ccc2c(NC(=O)CC/C=C/C[C@H](N3CC[C@@H](
    CC3=O)c4cccc(Cl)c4)c5[nH]cc2n5)c1; c1c(c
    c2c(c1)c5cnc(C(CC=CCCC(N2)=O)N4C(CC(c3cc
    cc(Cl)c3)CC4)=O)n5)NC(OC)=O    		 methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
    30144 NR8
    CHEMBL4550911    		 1 C18 H18 Cl N5 O2 InChI=1S/C18H18ClN5O2/c1-
    3-12(25)10-24-16-8-11(4-5
    -15(16)23(2)18(24)26)22-1
    4-6-7-21-17(19)13(14)9-20
    /h4-8,12,25H,3,10H2,1-2H3
    ,(H,21,22)/t12-/m0/s1;
    YYQGUWHFXVXQOO-LBPRGKRZSA-N    		 CC[C@H](O)CN1C(=O)N(C)c2ccc(Nc3ccnc(Cl)c
    3C#N)cc12; CC[CH](O)CN1C(=O)N(C)c2ccc(Nc
    3ccnc(Cl)c3C#N)cc12; CC[C@@H](CN1c2cc(cc
    c2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O; CCC(CN1c2
    cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O    		 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
    30145 NR9
    CHEMBL393929
    ZINC000028821265    		 3 C18 H13 N3 O S2 InChI=1S/C18H13N3OS2/c22-
    17-16(24-18(21-17)20-11-1
    4-4-2-8-23-14)10-12-5-6-1
    5-13(9-12)3-1-7-19-15/h1-
    10H,11H2,(H,20,21,22)/b16
    -10-;
    XOLMRFUGOINFDQ-YBEGLDIGSA-N    		 O=C\1N=C(NCc2sccc2)SC\1=C\c3ccc4ncccc4c3
    ; c1cc2cc(ccc2nc1)C=C3C(=O)N=C(S3)NCc4cc
    cs4; O=C1N=C(S/C1=C\c3cc2cccnc2cc3)NCc4s
    ccc4; c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3
    )NCc4cccs4; O=C1N=C(NCc2sccc2)SC1=Cc3ccc
    4ncccc4c3    		 (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
    30146 NRA
    CHEMBL187265
    ZINC000006090922    		 1 C13 H8 O6 InChI=1S/C13H8O6/c14-5-1-
    9(17)12-11(2-5)19-10-4-8(
    16)7(15)3-6(10)13(12)18/h
    1-4,14-17H;
    ZHTQCPCDXKMMLU-UHFFFAOYSA-N    		 O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3; c1
    c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O; Oc1c
    c(O)c2C(=O)c3cc(O)c(O)cc3Oc2c1    		 norathyriol;
    1,3,6,7-tetrahydroxy-9H-xanthen-9-one
    30147 NRB
    ZINC000016051866    		 5 C28 H47 N O7 InChI=1S/C28H47NO7/c1-10-
    23-15(2)11-12-22(30)16(3)
    13-17(4)26(19(6)24(31)20(
    7)27(33)35-23)36-28-25(32
    )21(29(8)9)14-18(5)34-28/
    h11-12,15-21,23,25-26,28,
    32H,10,13-14H2,1-9H3/b12-
    11+/t15-,16-,17+,18+,19-,
    20-,21-,23-,25-,26+,28-/m
    1/s1;
    OXFYAOOMMKGGAI-ZMIJTAGNSA-N    		 CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[C
    H]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[C
    H](C)C(=O)C=C[CH]1C; CCC1C(C=CC(=O)C(CC(
    C(C(C(=O)C(C(=O)O1)C)C)OC2C(C(CC(O2)C)N(
    C)C)O)C)C)C; CC[C@@H]1[C@@H](\C=C\C(=O)[
    C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C
    (=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H]
    (O2)C)N(C)C)O)C)C)C; CC[C@H]1OC(=O)[C@H]
    (C)C(=O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C
    )C[C@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C
    )C(=O)\C=C\[C@H]1C; O=C2C(C(OC1OC(CC(N(C
    )C)C1O)C)C(C)CC(C(=O)C=CC(C)C(OC(=O)C2C)
    CC)C)C    		 NARBOMYCIN
    30148 NRC 1 C16 H15 Cl N2 O3 InChI=1S/C16H15ClN2O3/c1-
    10-6-7-18-9-13(10)19-15(2
    0)14(16(21)22-2)11-4-3-5-
    12(17)8-11/h3-9,14H,1-2H3
    ,(H,19,20)/t14-/m1/s1;
    LOFUGDOYUSJHEA-CQSZACIVSA-N    		 O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(=O)OC; C
    c1ccncc1NC(=O)[C@@H](c2cccc(c2)Cl)C(=O)O
    C; COC(=O)[C@@H](C(=O)Nc1cnccc1C)c2cccc(
    Cl)c2; Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(=
    O)OC; COC(=O)[CH](C(=O)Nc1cnccc1C)c2cccc
    (Cl)c2    		 methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate
    30149 NRD
    CHEMBL55214
    DB11620
    ZINC000001999491    		 4 C6 H17 N O7 P2 InChI=1S/C6H17NO7P2/c7-5-
    3-1-2-4-6(8,15(9,10)11)16
    (12,13)14/h8H,1-5,7H2,(H2
    ,9,10,11)(H2,12,13,14);
    PUUSSSIBPPTKTP-UHFFFAOYSA-N    		 C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN; NCCCCC
    C(O)([P](O)(O)=O)[P](O)(O)=O    		 (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid
    30150 NRE
    CHEMBL2413522
    ZINC000096917227    		 2 C20 H23 Br F N3 O2 InChI=1S/C20H23BrFN3O2/c1
    -13-6-8-15(11-24-18-9-7-1
    4(21)10-23-18)25(12-13)20
    (26)16-4-3-5-17(22)19(16)
    27-2/h3-5,7,9-10,13,15H,6
    ,8,11-12H2,1-2H3,(H,23,24
    )/t13-,15-/m0/s1;
    TWCRHJLMMAYSTE-ZFWWWQNUSA-N    		 CC1CCC(N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(c
    n3)Br; COc1c(F)cccc1C(=O)N2C[CH](C)CC[CH
    ]2CNc3ccc(Br)cn3; COc1c(F)cccc1C(=O)N2C[
    C@@H](C)CC[C@H]2CNc3ccc(Br)cn3; C[C@H]1C
    C[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(c
    n3)Br    		 [(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone
    30151 NRF
    CHEMBL1881194
    ZINC000000271610    		 5 C12 H9 Cl F3 N3 O InChI=1S/C12H9ClF3N3O/c1-
    17-9-6-18-19(11(20)10(9)1
    3)8-4-2-3-7(5-8)12(14,15)
    16/h2-6,17H,1H3;
    NVGOPFQZYCNLDU-UHFFFAOYSA-N    		 CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl
    ; CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F
    )F    		 Norflurazon
    30152 NRG
    CHEMBL227744
    DB04223
    ZINC000019796052    		 7 C6 H13 N5 O4 InChI=1S/C6H13N5O4/c7-4(5
    (12)13)2-1-3-9-6(8)10-11(
    14)15/h4H,1-3,7H2,(H,12,1
    3)(H3,8,9,10)/t4-/m0/s1;
    MRAUNPAHJZDYCK-BYPYZUCNSA-N    		 N[CH](CCCNC(=N)N[N+]([O-])=O)C(O)=O; [O-
    ][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N; N[C@@
    H](CCCNC(=N)N[N+]([O-])=O)C(O)=O; [H]/N=
    C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-]; [
    H]N=C(NCCCC(C(=O)O)N)N[N+](=O)[O-]    		 N-OMEGA-NITRO-L-ARGININE;
    NNA
    30153 NRH
    CHEMBL275224
    ZINC000000066039    		 2 C11 H8 N2 InChI=1S/C11H8N2/c1-2-4-1
    0-8(3-1)9-5-6-12-7-11(9)1
    3-10/h1-7,13H;
    AIFRHYZBTHREPW-UHFFFAOYSA-N    		 n3ccc2c1c(cccc1)nc2c3; c1ccc2c(c1)c3ccnc
    c3[nH]2; [nH]1c2ccccc2c3ccncc13    		 Norharmane;
    9H-beta-carboline
    30154 NRI
    ZINC000005975943    		 0 C5 H12 N O5 P InChI=1S/C5H12NO5P/c7-5-2
    -6-1-4(5)3-11-12(8,9)10/h
    4-7H,1-3H2,(H2,8,9,10)/t4
    -,5+/m1/s1;
    DZBMWXHITVAZTC-UHNVWZDZSA-N    		 O[C@H]1CNC[C@@H]1CO[P](O)(O)=O; O[CH]1CN
    C[CH]1CO[P](O)(O)=O; C1[C@@H]([C@H](CN1)
    O)COP(=O)(O)O; C1C(C(CN1)O)COP(=O)(O)O;
    O=P(OCC1CNCC1O)(O)O    		 PHOSPHORIC ACID MONO-(4-HYDROXY-PYRROLIDIN-3-YLMETHYL) ESTER
    30155 NRJ
    CHEMBL4515523    		 1 C28 H28 Cl N5 O5 InChI=1S/C28H28ClN5O5/c1-
    38-27(36)31-19-10-11-20-2
    1(15-19)32-25(35)9-4-2-3-
    8-23(26-30-16-22(20)33-26
    )34-13-12-24(39-28(34)37)
    17-6-5-7-18(29)14-17/h2-3
    ,5-7,10-11,14-16,23-24H,4
    ,8-9,12-13H2,1H3,(H,30,33
    )(H,31,36)(H,32,35)/b3-2+
    /t23-,24+/m0/s1;
    ZRELHZVMHRERCT-KXHVVKIWSA-N    		 COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H]
    (c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)
    Cl; COC(=O)Nc1ccc2c(NC(=O)CC/C=C/C[C@H](
    N3CC[C@@H](OC3=O)c4cccc(Cl)c4)c5[nH]cc2n
    5)c1; c3cc(cc4NC(CCC=CCC(N1C(OC(CC1)c2cc
    cc(Cl)c2)=O)c5nc(c34)cn5)=O)NC(OC)=O; CO
    C(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH]cc
    2n3)N4CCC(OC4=O)c5cccc(c5)Cl; COC(=O)Nc1
    ccc2c(NC(=O)CCC=CC[CH](N3CC[CH](OC3=O)c4
    cccc(Cl)c4)c5[nH]cc2n5)c1    		 methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
    30156 NRK
    CHEMBL3545367
    DB11951
    ZINC000118073503    		 3 C22 H20 F2 N4 O2 InChI=1S/C22H20F2N4O2/c1-
    13-19(11-25-14(2)27-13)30
    -12-22(15-4-3-5-16(23)8-1
    5)9-18(22)21(29)28-20-7-6
    -17(24)10-26-20/h3-8,10-1
    1,18H,9,12H2,1-2H3,(H,26,
    28,29)/t18-,22+/m0/s1;
    MUGXRYIUWFITCP-PGRDOPGGSA-N    		 Cc1c(cnc(n1)C)OCC2(CC2C(=O)Nc3ccc(cn3)F)
    c4cccc(c4)F; Cc1ncc(OC[C@]2(C[C@H]2C(=O)
    Nc3ccc(F)cn3)c4cccc(F)c4)c(C)n1; Cc1c(cn
    c(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)
    c4cccc(c4)F; Cc1ncc(OC[C]2(C[CH]2C(=O)Nc
    3ccc(F)cn3)c4cccc(F)c4)c(C)n1    		 (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
    30157 NRL 0 C12 H17 N5 O5 InChI=1S/C12H17N5O5/c13-7
    -5-22-6-8(7)17(4-11(19)20
    )10(18)3-16-2-1-9(14)15-1
    2(16)21/h1-2,7-8H,3-6,13H
    2,(H,19,20)(H2,14,15,21)/
    t7-,8-/m0/s1;
    SSCQFEZTHMEZLU-YUMQZZPRSA-N    		 N[CH]1COC[CH]1N(CC(O)=O)C(=O)CN2C=CC(=NC
    2=O)N; N[C@H]1COC[C@@H]1N(CC(O)=O)C(=O)C
    N2C=CC(=NC2=O)N; C1C(C(CO1)N(CC(=O)O)C(=
    O)CN2C=CC(=NC2=O)N)N; C1[C@@H]([C@H](CO1
    )N(CC(=O)O)C(=O)CN2C=CC(=NC2=O)N)N; OC(=
    O)CN(C1COCC1N)C(=O)CN1C=CC(N)=NC1=O    		 N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine
    30158 NRM
    CHEMBL1234822
    ZINC000058639126    		 1 C13 H11 N7 S InChI=1S/C13H11N7S/c1-8-4
    -11(21-19-8)18-12-13-15-7
    -10(9-5-16-17-6-9)20(13)3
    -2-14-12/h2-7H,1H3,(H,14,
    18)(H,16,17);
    XWFNCZUACYBPGT-UHFFFAOYSA-N    		 Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4; Cc
    1cc(Nc2nccn3c(cnc23)c4c[nH]nc4)sn1; n4c(
    Nc1snc(c1)C)c3ncc(c2cnnc2)n3cc4    		 N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
    30159 NRN
    CHEMBL129014    		 2 C10 H13 N5 O3 InChI=1S/C10H13N5O3/c11-9
    -6-10(13-2-12-9)15(3-14-6
    )4-1-5(16)8(18)7(4)17/h2-
    5,7-8,16-18H,1H2,(H2,11,1
    2,13)/t4-,5+,7+,8-/m1/s1;
    VFKHECGAEJNAMV-HETMPLHPSA-N    		 c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([
    C@H]3O)O)O)N; Nc1ncnc2n(cnc12)[CH]3C[CH]
    (O)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H]
    3C[C@H](O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)
    n(cn2)C3CC(C(C3O)O)O)N    		 (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol;
    noraristeromycin
    30160 NRO
    DB08302
    ZINC000006050692    		 3 C16 H15 N O5 InChI=1S/C16H15NO5/c1-2-4
    -13(17(20)21)10-14-7-8-15
    (22-14)11-5-3-6-12(9-11)1
    6(18)19/h3,5-10H,2,4H2,1H
    3,(H,18,19)/b13-10-;
    IRHZCQDCMUWUKV-RAXLEYEMSA-N    		 CCCC(=Cc1oc(cc1)c2cccc(c2)C(O)=O)[N+]([O
    -])=O; CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)
    [N+](=O)[O-]; CCC\C(=C\c1oc(cc1)c2cccc(c
    2)C(O)=O)[N+]([O-])=O; [O-][N+](=O)/C(=C
    \c1oc(cc1)c2cccc(C(=O)O)c2)CCC    		 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
    30161 NRP 0 C17 H19 N3 O4 InChI=1S/C17H19N3O4/c1-10
    (2)7-13(18)16-19-14(17(24
    )20(16)9-15(22)23)8-11-3-
    5-12(21)6-4-11/h3-6,8,10,
    18,21H,7,9H2,1-2H3,(H,22,
    23)/b14-8+,18-13+;
    BJIZAOIYQSFLFE-VHQTWSSFSA-N    		 [H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=
    O)N1CC(=O)O; CC(C)CC(=N)C1=NC(=Cc2ccc(O)
    cc2)C(=O)N1CC(O)=O; O=C1C(\N=C(C(=[N@H])
    CC(C)C)N1CC(=O)O)=C/c2ccc(O)cc2; CC(C)CC
    (=N)C1=NC(=C/c2ccc(O)cc2)/C(=O)N1CC(O)=O
    ; CC(C)CC(=N)C1=NC(=Cc2ccc(cc2)O)C(=O)N1
    CC(=O)O    		 {4-[(4-hydroxyphenyl)methylidene]-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (LEU-TYR-GLY)
    30162 NRQ 1 C16 H17 N3 O4 S InChI=1S/C16H17N3O4S/c1-2
    4-7-6-12(17)15-18-13(16(2
    3)19(15)9-14(21)22)8-10-2
    -4-11(20)5-3-10/h2-5,8,17
    ,20H,6-7,9H2,1H3,(H,21,22
    )/b13-8-,17-12-;
    QMTDZFYJRUOYRB-JEAYZUIJSA-N    		 [H]N=C(CCSC)C1=NC(=Cc2ccc(cc2)O)C(=O)N1C
    C(=O)O; [H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(c
    c2)O)/C(=O)N1CC(=O)O; CSCCC(=N)C1=NC(=Cc
    2ccc(O)cc2)C(=O)N1CC(O)=O; CSCCC(=N)C1=N
    \C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O; O=C1C(
    \N=C(C(=[N@H])CCSC)N1CC(=O)O)=C\c2ccc(O)
    cc2    		 {(4Z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (MET-TYR-GLY)
    30163 NRR 1 C27 H29 N5 O InChI=1S/C27H29N5O/c1-30(
    2)11-10-26(33)20-6-9-25-2
    3(16-20)24-17-21(18-28-27
    (24)29-25)19-4-7-22(8-5-1
    9)32-14-12-31(3)13-15-32/
    h4-11,16-18H,12-15H2,1-3H
    3,(H,28,29)/b11-10-;
    JFOIWAWELQEHHK-KHPPLWFESA-N    		 CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ccc5[nH]c
    4nc3)C(=O)C=CN(C)C; CN(C)\C=C/C(=O)c1ccc
    2[nH]c3ncc(cc3c2c1)c4ccc(cc4)N5CCN(C)CC5
    ; CN(C)C=CC(=O)c1ccc2[nH]c3ncc(cc3c2c1)c
    4ccc(cc4)N5CCN(C)CC5    		 3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one
    30164 NRS
    CHEMBL3931964    		 1 C19 H15 N3 O4 S InChI=1S/C19H15N3O4S/c1-2
    2(14-7-6-12-4-2-3-5-13(12
    )10-14)27(25,26)15-8-9-16
    -17(11-15)21-19(24)18(23)
    20-16/h2-11H,1H3,(H,20,23
    )(H,21,24);
    HSAXTPZNMSIOAI-UHFFFAOYSA-N    		 CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC
    (=O)C(=O)N4; CN(c1ccc2ccccc2c1)[S](=O)(=
    O)c3ccc4NC(=O)C(=O)Nc4c3; O=S(c1ccc2c(c1
    )NC(C(N2)=O)=O)(N(C)c3ccc4c(c3)cccc4)=O    		 N-methyl-N-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
    30165 NRT 0 C10 H13 N5 O2 InChI=1S/C10H13N5O2/c11-1
    0-14-8-7(12-5-13-8)9(15-1
    0)17-4-6-2-1-3-16-6/h5-6H
    ,1-4H2,(H3,11,12,13,14,15
    )/t6-/m0/s1;
    HNPVBOXKEKDGNE-LURJTMIESA-N    		 Nc1nc2[nH]cnc2c(OC[C@@H]3CCCO3)n1; c1[nH
    ]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3; Nc1nc2
    [nH]cnc2c(OC[CH]3CCCO3)n1; n2c(OCC1OCCC1
    )c3ncnc3nc2N; c1[nH]c2c(n1)c(nc(n2)N)OCC
    3CCCO3    		 6-(TETRAHYDRO-2-FURANYLMETHOXY)-9H-PURIN-2-AMINE
    30166 NRU 0 H18 N6 Ru InChI=1S/6H3N.Ru/h6*1H3;/
    q;;;;;;+3;
    HOOVQFBYNWLMGV-UHFFFAOYSA-N    		 N.N.N.N.N.N.[Ru+3]; [NH3][Ru+3]([NH3])([
    NH3])([NH3])([NH3])[NH3]    		 RUTHENIUM (III) HEXAAMINE ION;
    HEXAAMINORUTHENIUM
    30167 NRV
    CHEMBL1524317
    ZINC000002205864    		 1 C16 H20 F N5 S InChI=1S/C16H20FN5S/c1-4-
    22(5-2)8-9-23-16-18-15-14
    (19-20-16)12-10-11(17)6-7
    -13(12)21(15)3/h6-7,10H,4
    -5,8-9H2,1-3H3;
    CBDNCFPVVCMFOD-UHFFFAOYSA-N    		 CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1; CCN
    (CC)CCSc1nnc2c3cc(F)ccc3n(C)c2n1; Cn2c1c
    cc(cc1c3c2nc(SCCN(CC)CC)nn3)F    		 N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine
    30168 NRW
    ZINC000048344789    		 1 C12 H13 N3 O2 InChI=1S/C12H13N3O2/c1-9-
    6-11(17-14-9)12(16)15(2)8
    -10-4-3-5-13-7-10/h3-7H,8
    H2,1-2H3;
    YRZCJLIACJLYBI-UHFFFAOYSA-N    		 Cc1cc(on1)C(=O)N(C)Cc2cccnc2; CN(Cc1cccn
    c1)C(=O)c2onc(C)c2; Cc2cc(C(N(C)Cc1cccnc
    1)=O)on2    		 N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide
    30169 NRX 1 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c16-
    12-5-3-4-11(8-12)9-14(20)
    18-15-13-6-1-2-7-19(13)10
    -17-15/h1-8,10H,9H2,(H,18
    ,20);
    SDPLNJUUYIUIPZ-UHFFFAOYSA-N    		 Clc1cccc(CC(=O)Nc2ncn3ccccc23)c1; c1ccn2
    cnc(c2c1)NC(=O)Cc3cccc(c3)Cl; Clc1cccc(c
    1)CC(=O)Nc1ncn2ccccc12    		 2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide
    30170 NRY 1 C21 H15 F2 N2 O InChI=1S/C21H15F2N2O/c22-
    17-7-3-15(4-8-17)20(26)14
    -25-13-12-24-11-1-2-19(24
    )21(25)16-5-9-18(23)10-6-
    16/h1-13H,14H2/q+1;
    QVAOSDLYVRSWEJ-UHFFFAOYSA-N    		 c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4c
    cc(cc4)F; c2[n+](c(c1ccc(F)cc1)c3cccn3c2
    )CC(=O)c4ccc(cc4)F; Fc1ccc(cc1)C(=O)C[n+
    ]2ccn3cccc3c2c4ccc(F)cc4    		 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium
    30171 NRZ
    CHEMBL3597952
    ZINC000009068446    		 1 C20 H24 N2 O4 S InChI=1S/C20H24N2O4S/c1-1
    4-11-15(2)13-16(12-14)21-
    20(23)19-5-4-10-22(19)27(
    24,25)18-8-6-17(26-3)7-9-
    18/h6-9,11-13,19H,4-5,10H
    2,1-3H3,(H,21,23)/t19-/m0
    /s1;
    NHPQGZOBHSVTAQ-IBGZPJMESA-N    		 COc1ccc(cc1)[S](=O)(=O)N2CCC[C@H]2C(=O)N
    c3cc(C)cc(C)c3; COc1ccc(cc1)[S](=O)(=O)N
    2CCC[CH]2C(=O)Nc3cc(C)cc(C)c3; Cc1cc(cc(
    c1)NC(=O)C2CCCN2S(=O)(=O)c3ccc(cc3)OC)C;
    Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)
    c3ccc(cc3)OC)C    		 (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide
    30172 NS0
    ZINC000058638795    		 56 C40 H60 InChI=1S/C40H60/c1-33(2)1
    9-13-23-37(7)27-17-31-39(
    9)29-15-25-35(5)21-11-12-
    22-36(6)26-16-30-40(10)32
    -18-28-38(8)24-14-20-34(3
    )4/h11-12,15-17,19,21-22,
    25-31,34H,13-14,18,20,23-
    24,32H2,1-10H3/b12-11+,25
    -15+,26-16+,31-17+,35-21+
    ,36-22+,37-27+,38-28+,39-
    29+,40-30+;
    NHKJSVKSSGKUCH-XILUKMICSA-N    		 CC(C)CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C
    /C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C;
    CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(
    \C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C
    )/C)/C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC
    =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC(
    C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)
    C=CC=C(C)CCC=C(C)C)C)C)C    		 all-trans-1,2-dihydroneurosporene
    30173 NS1
    ZINC000064436656    		 1 C40 H60 InChI=1S/C40H60/c1-33(2)1
    9-13-23-37(7)27-17-31-39(
    9)29-15-25-35(5)21-11-12-
    22-36(6)26-16-30-40(10)32
    -18-28-38(8)24-14-20-34(3
    )4/h11-12,15-17,19,21-22,
    25-31,34H,13-14,18,20,23-
    24,32H2,1-10H3/b12-11+,25
    -15+,26-16+,31-17+,35-21+
    ,36-22-,37-27+,38-28+,39-
    29+,40-30+;
    NHKJSVKSSGKUCH-HFHFAFRXSA-N    		 CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C\C=C\C=C(/
    C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)
    /C)/C; CC(C)CCC\C(C)=C\CC\C(C)=C\C=C\C(C
    )=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC
    =C(C)C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC
    =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC(
    C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)
    C=CC=C(C)CCC=C(C)C)C)C)C    		 15-trans-1,2-dihydroneurosporene
    30174 NS2
    CHEMBL4297590
    DB15031    		 2 C23 H23 Cl N6 O2 InChI=1S/C23H23ClN6O2/c1-
    14-17(24)6-7-18-20(14)28-
    22(27-18)23(2)9-4-12-29(2
    3)21(31)16-13-15(32-3)5-8
    -19(16)30-25-10-11-26-30/
    h5-8,10-11,13H,4,9,12H2,1
    -3H3,(H,27,28)/t23-/m0/s1;
    NBGABHGMJVIVBW-QHCPKHFHSA-N    		 Cc1c(ccc2c1[nH]c(n2)C3(CCCN3C(=O)c4cc(cc
    c4n5nccn5)OC)C)Cl; COc1ccc(n2nccn2)c(c1)
    C(=O)N3CCC[C]3(C)c4[nH]c5c(C)c(Cl)ccc5n4
    ; Cc1c(ccc2c1[nH]c(n2)[C@@]3(CCCN3C(=O)c
    4cc(ccc4n5nccn5)OC)C)Cl; COc1ccc(n2nccn2
    )c(c1)C(=O)N3CCC[C@@]3(C)c4[nH]c5c(C)c(C
    l)ccc5n4    		 [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone
    30175 NS3
    DB08303
    ZINC000053683061    		 1 C18 H28 N4 O4 S2 InChI=1S/C18H28N4O4S2/c1-
    13-11-15-17(27(23,24)20-1
    8(19-15)14-5-3-4-6-14)12-
    16(13)28(25,26)22-9-7-21(
    2)8-10-22/h11-12,14,18-20
    H,3-10H2,1-2H3/t18-/m0/s1;
    CUMKMTBOHBENJI-SFHVURJKSA-N    		 CN1CCN(CC1)[S](=O)(=O)c2cc3c(N[C@@H](N[S
    ]3(=O)=O)C4CCCC4)cc2C; O=S(=O)(c1c(cc2c(
    c1)S(=O)(=O)NC(N2)C3CCCC3)C)N4CCN(C)CC4;
    Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=
    O)N[C@H](N2)C4CCCC4; CN1CCN(CC1)[S](=O)(
    =O)c2cc3c(N[CH](N[S]3(=O)=O)C4CCCC4)cc2C
    ; Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(
    =O)NC(N2)C4CCCC4    		 (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
    30176 NS4
    CHEMBL7162
    DB14060
    ZINC000003791739    		 2 C13 H18 N2 O5 S InChI=1S/C13H18N2O5S/c1-2
    1(18,19)14-12-8-7-10(15(1
    6)17)9-13(12)20-11-5-3-2-
    4-6-11/h7-9,11,14H,2-6H2,
    1H3;
    KTDZCOWXCWUPEO-UHFFFAOYSA-N    		 CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O
    -]; C[S](=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+]
    ([O-])=O; [O-][N+](=O)c2cc(OC1CCCCC1)c(N
    S(=O)(=O)C)cc2    		 N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
    30177 NS5
    ZINC000064436376    		 34 C40 H60 InChI=1S/C40H60/c1-33(2)1
    9-13-23-37(7)27-17-31-39(
    9)29-15-25-35(5)21-11-12-
    22-36(6)26-16-30-40(10)32
    -18-28-38(8)24-14-20-34(3
    )4/h11-12,15-17,19,21-22,
    25-31,34H,13-14,18,20,23-
    24,32H2,1-10H3/b12-11-,25
    -15+,26-16+,31-17+,35-21+
    ,36-22+,37-27+,38-28+,39-
    29+,40-30+;
    NHKJSVKSSGKUCH-DBWJSHEJSA-N    		 CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/
    C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)
    /C)/C; CC(C)CCC\C(C)=C\CC\C(C)=C\C=C\C(C
    )=C\C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC
    =C(C)C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC
    =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC(
    C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)
    C=CC=C(C)CCC=C(C)C)C)C)C    		 15-cis-1,2-dihydroneurosporene
    30178 NS6
    DB08304
    ZINC000038397218    		 4 C18 H27 N3 O4 S2 InChI=1S/C18H27N3O4S2/c1-
    20-8-10-21(11-9-20)27(24,
    25)16-7-6-15-12-17(14-4-2
    -3-5-14)19-26(22,23)18(15
    )13-16/h6-7,13-14,17,19H,
    2-5,8-12H2,1H3/t17-/m1/s1;
    QZBQVXXESPXFPZ-QGZVFWFLSA-N    		 CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)
    NC(C3)C4CCCC4; CN1CCN(CC1)[S](=O)(=O)c2c
    cc3C[C@@H](N[S](=O)(=O)c3c2)C4CCCC4; CN1
    CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C
    @H](C3)C4CCCC4; O=S(=O)(c1ccc2c(c1)S(=O)
    (=O)NC(C2)C3CCCC3)N4CCN(C)CC4; CN1CCN(CC
    1)[S](=O)(=O)c2ccc3C[CH](N[S](=O)(=O)c3c
    2)C4CCCC4    		 (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide
    30179 NS7
    DB08305
    ZINC000039286895    		 2 C19 H29 N3 O4 S2 InChI=1S/C19H29N3O4S2/c1-
    14-11-16-12-17(15-5-3-4-6
    -15)20-27(23,24)19(16)13-
    18(14)28(25,26)22-9-7-21(
    2)8-10-22/h11,13,15,17,20
    H,3-10,12H2,1-2H3/t17-/m1
    /s1;
    KQAGZLQCEURCKJ-QGZVFWFLSA-N    		 CN1CCN(CC1)[S](=O)(=O)c2cc3c(C[CH](N[S]3
    (=O)=O)C4CCCC4)cc2C; O=S(=O)(c1c(cc2c(c1
    )S(=O)(=O)NC(C2)C3CCCC3)C)N4CCN(C)CC4; C
    c1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)
    NC(C2)C4CCCC4; Cc1cc2c(cc1S(=O)(=O)N3CCN
    (CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4; CN1CC
    N(CC1)[S](=O)(=O)c2cc3c(C[C@@H](N[S]3(=O
    )=O)C4CCCC4)cc2C    		 (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide
    30180 NS8
    CHEMBL230156
    ZINC000001700197    		 3 C8 H7 N O2 InChI=1S/C8H7NO2/c10-9(11
    )7-6-8-4-2-1-3-5-8/h1-7H/
    b7-6+;
    PIAOLBVUVDXHHL-VOTSOKGWSA-N    		 c1ccc(cc1)/C=C/[N+](=O)[O-]; [O-][N+](=O
    )/C=C/c1ccccc1; [O-][N+](=O)C=Cc1ccccc1;
    c1ccc(cc1)C=C[N+](=O)[O-]; [O-][N+]([C@
    H]=Cc1ccccc1)=O    		 trans beta nitrostyrene
    30181 NS9
    CHEMBL1234833
    ZINC000058655676    		 2 C20 H27 N5 O3 InChI=1S/C20H27N5O3/c1-13
    (2)15-10-22-25-19(21-9-14
    -6-4-3-5-7-14)8-18(24-20(
    15)25)23-16(11-26)17(28)1
    2-27/h3-8,10,13,16-17,21,
    26-28H,9,11-12H2,1-2H3,(H
    ,23,24)/t16-,17+/m0/s1;
    KRIWIRSMQRQYJG-DLBZAZTESA-N    		 CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO
    )[C@@H](CO)O; CC(C)c1cnn2c(NCc3ccccc3)cc
    (N[CH](CO)[CH](O)CO)nc12; CC(C)c1cnn2c1n
    c(cc2NCc3ccccc3)NC(CO)C(CO)O; n2c(cc(NCc
    1ccccc1)n3ncc(c23)C(C)C)NC(C(O)CO)CO; CC
    (C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H
    ](O)CO)nc12    		 (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol
    30182 NSA
    CHEMBL1234834
    ZINC000001564818    		 0 C8 H7 Cl2 N O InChI=1S/C8H7Cl2NO/c9-7(1
    0)8(12)11-6-4-2-1-3-5-6/h
    1-5,7H,(H,11,12);
    KJSVAEGLTPBKAA-UHFFFAOYSA-N    		 O=C(Nc1ccccc1)C(Cl)Cl; ClC(Cl)C(=O)Nc1cc
    ccc1; c1ccc(cc1)NC(=O)C(Cl)Cl    		 2,2-DICHLORO-N-PHENYL-ACETAMIDE
    30183 NSB
    ZINC000001674777    		 1 C6 H16 N O3 S InChI=1S/C6H15NO3S/c1-7(2
    ,3)5-4-6-11(8,9)10/h4-6H2
    ,1-3H3/p+1;
    WFJHXXPYPMNRPK-UHFFFAOYSA-O    		 O=S(=O)(O)CCC[N+](C)(C)C; C[N+](C)(C)CCC
    S(=O)(=O)O; C[N+](C)(C)CCC[S](O)(=O)=O    		 N,N,N-TRIMETHYL-3-SULFOPROPAN-1-AMINIUM
    30184 NSC
    CHEMBL87223
    DB04452
    ZINC000022910880    		 4 C21 H20 N6 O InChI=1S/C21H20N6O/c1-11-
    7-17(22)15-9-13(3-5-19(15
    )24-11)26-21(28)27-14-4-6
    -20-16(10-14)18(23)8-12(2
    )25-20/h3-10H,1-2H3,(H2,2
    2,24)(H2,23,25)(H2,26,27,
    28);
    HOUSDILKOJMENG-UHFFFAOYSA-N    		 Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3
    )ccc2n1; c2c1c(N)cc(C)nc1ccc2NC(=O)Nc4cc
    3c(N)cc(C)nc3cc4; Cc1cc(c2cc(ccc2n1)NC(=
    O)Nc3ccc4c(c3)c(cc(n4)C)N)N    		 N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
    30185 NSD
    CHEMBL28743
    ZINC000001529642    		 5 C6 H17 N3 InChI=1S/C6H17N3/c7-3-1-5
    -9-6-2-4-8/h9H,1-8H2;
    OTBHHUPVCYLGQO-UHFFFAOYSA-N    		 C(CN)CNCCCN; NCCCNCCCN N-(3-aminopropyl)propane-1,3-diamine
    30186 NSE
    CHEMBL3103988
    ZINC000078938112    		 12 C14 H8 N4 O InChI=1S/C14H8N4O/c15-8-1
    0-3-1-4-11(7-10)14-17-13(
    18-19-14)12-5-2-6-16-9-12
    /h1-7,9H;
    HGFXDSQLRSWUBO-UHFFFAOYSA-N    		 c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N; N#Cc1c
    ccc(c1)c2onc(n2)c3cccnc3; N#Cc3cccc(c1nc
    (no1)c2cnccc2)c3    		 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;
    NS9283
    30187 NSF 0 C12 H15 I N4 O6 InChI=1S/C12H15IN4O6/c13-
    6-1-16(12(22)15-11(6)21)2
    -9(18)17(3-10(19)20)8-5-2
    3-4-7(8)14/h1,7-8H,2-5,14
    H2,(H,19,20)(H,15,21,22)/
    t7-,8-/m0/s1;
    ZIWCTTLPOMQDJH-YUMQZZPRSA-N    		 C1[C@@H]([C@H](CO1)N(CC(=O)O)C(=O)CN2C=C
    (C(=O)NC2=O)I)N; N[CH]1COC[CH]1N(CC(O)=O
    )C(=O)CN2C=C(I)C(=O)NC2=O; C1C(C(CO1)N(C
    C(=O)O)C(=O)CN2C=C(C(=O)NC2=O)I)N; OC(=O
    )CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O; N
    [C@H]1COC[C@@H]1N(CC(O)=O)C(=O)CN2C=C(I)
    C(=O)NC2=O    		 N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
    30188 NSG
    ZINC000199600282    		 2 C8 H15 N O4 S InChI=1S/C8H15NO4S/c1-3-9
    -5-7(12)6(11)4(2-10)13-8(
    5)14-3/h3-12H,2H2,1H3/t3-
    ,4+,5+,6-,7+,8+/m0/s1;
    XWPUWEBFKDEDIF-JMHNFOGYSA-N    		 CC1NC2C(C(C(OC2S1)CO)O)O; C[CH]1N[CH]2[C
    H](O)[CH](O)[CH](CO)O[CH]2S1; C[C@H]1N[C
    @@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]
    2S1; C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[
    C@@H]2S1)CO)O)O    		 (2S,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol
    30189 NSI
    CHEMBL376627
    ZINC000001911737    		 2 C30 H23 F3 N2 O4 S InChI=1S/C30H23F3N2O4S/c1
    -39-23-16-14-21(15-17-23)
    27-25-12-5-6-13-26(25)35(
    19-20-8-7-9-22(18-20)30(3
    1,32)33)28(27)29(36)34-40
    (37,38)24-10-3-2-4-11-24/
    h2-18H,19H2,1H3,(H,34,36);
    BCPFCXDCWUXOGT-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c3ccccc3n(Cc4cccc(c4)C(F)(
    F)F)c2C(=O)N[S](=O)(=O)c5ccccc5; O=S(=O)
    (c1ccccc1)NC(=O)c3c(c2ccccc2n3Cc4cccc(c4
    )C(F)(F)F)c5ccc(OC)cc5; COc1ccc(cc1)c2c3
    ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5ccc
    c(c5)C(F)(F)F    		 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE
    30190 NSJ
    ZINC000000237165    		 4 C11 H15 N O S InChI=1S/C11H15NOS/c13-11
    -3-1-2-10(8-11)9-12-4-6-1
    4-7-5-12/h1-3,8,13H,4-7,9
    H2;
    NSDQSEGFFDPDRA-UHFFFAOYSA-N    		 Oc1cccc(CN2CCSCC2)c1; c1cc(cc(c1)O)CN2CC
    SCC2; N1(CCSCC1)Cc2cccc(c2)O    		 3-[(thiomorpholin-4-yl)methyl]phenol
    30191 NSK
    ZINC000016052354    		 1 C10 H18 N2 O5 InChI=1S/C10H18N2O5/c11-6
    -2-1-3-7(10(16)17)12-8(13
    )4-5-9(14)15/h7H,1-6,11H2
    ,(H,12,13)(H,14,15)(H,16,
    17)/t7-/m0/s1;
    XEOGRHZGJFTETQ-ZETCQYMHSA-N    		 NCCCC[C@H](NC(=O)CCC(O)=O)C(O)=O; O=C(NC
    (C(=O)O)CCCCN)CCC(=O)O; NCCCC[CH](NC(=O)
    CCC(O)=O)C(O)=O; C(CCN)CC(C(=O)O)NC(=O)C
    CC(=O)O; C(CCN)C[C@@H](C(=O)O)NC(=O)CCC(
    =O)O    		 N-SUCCINYL LYSINE;
    N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE
    30192 NSL
    CHEMBL79759
    ZINC000100010406    		 2 C12 H10 N2 O InChI=1S/C12H10N2O/c15-12
    -8-6-11(7-9-12)14-13-10-4
    -2-1-3-5-10/h1-9,15H/b14-
    13+;
    BEYOBVMPDRKTNR-BUHFOSPRSA-N    		 c1ccc(cc1)/N=N/c2ccc(cc2)O; c1ccc(cc1)N=
    Nc2ccc(cc2)O; c1ccc(cc1)\N=N\c2ccc(O)cc2
    ; Oc1ccc(cc1)N=Nc2ccccc2    		 4-Hydroxyazobenzene;
    4-[(E)-phenyldiazenyl]phenol
    30193 NSM 8 C H3 N O InChI=1S/CH3NO/c1-2-3/h1H
    3;
    IMHRONYAKYWGCC-UHFFFAOYSA-N    		 CN=O; O=NC NITROSOMETHANE
    30194 NSN
    ZINC000058638732    		 1 C7 H11 N3 O4 InChI=1S/C7H11N3O4/c1-3(6
    (8)13)10-4(7(9)14)2-5(11)
    12/h4H,2H2,1H3,(H2,8,13)(
    H2,9,14)(H,11,12)/b10-3+/
    t4-/m0/s1;
    YZKQNDLOQTXCHV-BNTYAIEMSA-N    		 CC(=[NH+][CH](CC([O-])=O)C(N)=O)C(N)=O;
    [O-]C(=O)CC(/[NH+]=C(/C(=O)N)C)C(=O)N; C
    C(=[NH+]C(CC(=O)[O-])C(=O)N)C(=O)N; CC(=
    [NH+][C@@H](CC([O-])=O)C(N)=O)C(N)=O; CC
    (=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N    		 N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATE
    30195 NSO 1 C28 H28 F N7 O InChI=1S/C28H28FN7O/c1-3-
    26(37)30-21-5-4-6-22(18-2
    1)31-27-24-17-19(29)7-12-
    25(24)33-28(34-27)32-20-8
    -10-23(11-9-20)36-15-13-3
    5(2)14-16-36/h3-12,17-18H
    ,1,13-16H2,2H3,(H,30,37)(
    H2,31,32,33,34);
    KDWNVZXLHSMELQ-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccc(cc4c(n3)N
    c5cccc(c5)NC(=O)C=C)F; CN1CCN(CC1)c2ccc(
    Nc3nc(Nc4cccc(NC(=O)C=C)c4)c5cc(F)ccc5n3
    )cc2    		 ~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
    30196 NSP
    DB03204
    ZINC000000336542    		 0 C6 H10 N4 InChI=1S/C6H10N4/c1-4-9-3
    -5(2-7)6(8)10-4/h3H,2,7H2
    ,1H3,(H2,8,9,10);
    OZOHTVFCSKFMLL-UHFFFAOYSA-N    		 n1c(N)c(cnc1C)CN; Cc1ncc(c(n1)N)CN; Cc1n
    cc(CN)c(N)n1    		 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE
    30197 NSQ
    ZINC000263620619    		 10 C12 H15 N O10 S InChI=1S/C12H15NO10S/c14-
    9-8(5-24(19,20)21)23-12(1
    1(16)10(9)15)22-7-3-1-6(2
    -4-7)13(17)18/h1-4,8-12,1
    4-16H,5H2,(H,19,20,21)/t8
    -,9-,10+,11-,12+/m1/s1;
    JRVQBBIDMNDOQV-ZIQFBCGOSA-N    		 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@
    H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O; O[
    C@H]1[C@H](O)[C@@H](C[S](O)(=O)=O)O[C@H]
    (Oc2ccc(cc2)[N+]([O-])=O)[C@@H]1O; c1cc(
    ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CS(=O)(=O
    )O)O)O)O; O[CH]1[CH](O)[CH](C[S](O)(=O)=
    O)O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH]1O    		 4-nitrophenyl alpha-D-6-sulfoquinovoside;
    4-NITROPHENYL-ALPHA-D-SULFOQUINOVOSIDE
    30198 NSR 2 C19 H15 Cl N2 O2 InChI=1S/C19H15ClN2O2/c20
    -13-5-6-18-16(9-13)15(7-8
    -24-18)19(23)22-17-11-21-
    10-12-3-1-2-4-14(12)17/h1
    -6,9-11,15H,7-8H2,(H,22,2
    3)/t15-/m1/s1;
    QRUNNMAOPKEFMJ-OAHLLOKOSA-N    		 Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2ccccc21;
    c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl
    ; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc
    (cc4)Cl; Clc1ccc2OCC[C@@H](C(=O)Nc3cncc4
    ccccc34)c2c1; Clc1ccc2OCC[CH](C(=O)Nc3cn
    cc4ccccc34)c2c1    		 (4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    30199 NSS 7 C14 H21 N8 O8 S InChI=1S/C14H20N8O8S/c15-
    5(1-7(16)23)13(26)21-31(2
    7,28)29-2-6-9(24)10(25)14
    (30-6)22-4-20-8-11(17)18-
    3-19-12(8)22/h3-6,9-10,14
    ,24-25H,1-2,15H2,(H2,16,2
    3)(H,21,26)(H2,17,18,19)/
    p+1/t5-,6+,9+,10+,14+/m0/
    s1;
    MOAVDHSPHZUJSX-UFIIOMENSA-O    		 O=C(N)CC(C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(n
    cnc12)N)C(O)C3O)[NH3+]; NC(=O)C[CH]([NH3
    +])C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)
    [CH]1O)n2cnc3c(N)ncnc23; c1nc(c2c(n1)n(c
    n2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(
    =O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N; NC(
    =O)C[C@H]([NH3+])C(=O)N[S](=O)(=O)OC[C@H
    ]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc
    23; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)
    (=O)NC(=O)C(CC(=O)N)[NH3+])O)O)N    		 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE;
    ASN-SA
    30200 NST
    DB08306
    ZINC000003881295    		 1 C11 H8 N2 O6 S2 InChI=1S/C11H8N2O6S2/c14-
    11(15)10-9(4-5-20-10)21(1
    8,19)12-7-2-1-3-8(6-7)13(
    16)17/h1-6,12H,(H,14,15);
    CITCNTPVKZFUAJ-UHFFFAOYSA-N    		 c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc
    2C(=O)O; OC(=O)c1sccc1[S](=O)(=O)Nc2cccc
    (c2)[N+]([O-])=O; O=C(O)c1sccc1S(=O)(=O)
    Nc2cccc([N+]([O-])=O)c2    		 3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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