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

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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    35001 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
    35002 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
    35003 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
    35004 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
    35005 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
    35006 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
    35007 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
    35008 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
    35009 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
    35010 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
    35011 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
    35012 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
    35013 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
    35014 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
    35015 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
    35016 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
    35017 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
    35018 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
    35019 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
    35020 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
    35021 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
    35022 NR1 4 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
    35023 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
    35024 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
    35025 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
    35026 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
    35027 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
    35028 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
    35029 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
    35030 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
    35031 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
    35032 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
    35033 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
    35034 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
    35035 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
    35036 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
    35037 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
    35038 NRH
    CHEMBL275224
    ZINC000000066039    		 12 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
    35039 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
    35040 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
    35041 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
    35042 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
    35043 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
    35044 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
    35045 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
    35046 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)
    35047 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)
    35048 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
    35049 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
    35050 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
    35051 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
    35052 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
    35053 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
    35054 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
    35055 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
    35056 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
    35057 NS0
    ZINC000058638795    		 101 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
    35058 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
    35059 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
    35060 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
    35061 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
    35062 NS5
    ZINC000064436376    		 36 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
    35063 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
    35064 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
    35065 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
    35066 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
    35067 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
    35068 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
    35069 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
    35070 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
    35071 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
    35072 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
    35073 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
    35074 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
    35075 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
    35076 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
    35077 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
    35078 NSM 8 C H3 N O InChI=1S/CH3NO/c1-2-3/h1H
    3;
    IMHRONYAKYWGCC-UHFFFAOYSA-N    		 CN=O; O=NC NITROSOMETHANE
    35079 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
    35080 NSO
    CHEMBL5404639    		 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
    35081 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
    35082 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
    35083 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
    35084 NSS 8 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
    35085 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
    35086 NSU 0 C13 H18 N4 O6 InChI=1S/C13H18N4O6/c1-7-
    2-16(13(22)15-12(7)21)3-1
    0(18)17(4-11(19)20)9-6-23
    -5-8(9)14/h2,8-9H,3-6,14H
    2,1H3,(H,19,20)(H,15,21,2
    2)/t8-,9-/m0/s1;
    VRGRCASITUVCPS-IUCAKERBSA-N    		 CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2
    COC[C@@H]2N; OC(=O)CN(C1COCC1N)C(=O)CN1C
    =C(C)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)CC(=O
    )N(CC(=O)O)C2COCC2N; CC1=CN(CC(=O)N(CC(O
    )=O)[C@H]2COC[C@@H]2N)C(=O)NC1=O; CC1=CN
    (CC(=O)N(CC(O)=O)[CH]2COC[CH]2N)C(=O)NC1
    =O    		 N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
    35087 NSV
    ZINC000049533897    		 1 C9 H15 N3 S InChI=1S/C9H15N3S/c1-8-11
    -6-9(13-8)7-12-4-2-10-3-5
    -12/h6,10H,2-5,7H2,1H3;
    JBVOQOLBRWVANK-UHFFFAOYSA-N    		 Cc1ncc(s1)CN2CCNCC2; n2cc(CN1CCNCC1)sc2C
    ; Cc1sc(CN2CCNCC2)cn1    		 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine
    35088 NSW 6 C25 H21 N4 O3 InChI=1S/C25H20N4O3/c30-2
    0-10-6-18(7-11-20)15-29-2
    5(32)28-16-23(19-8-12-21(
    31)13-9-19)26-22(24(28)27
    -29)14-17-4-2-1-3-5-17/h1
    -13,16,30-31H,14-15H2/p+1;
    FAFQJYQLYIUGAT-UHFFFAOYSA-O    		 Oc1ccc(CN2Nc3c(Cc4ccccc4)nc(c[n+]3C2=O)c
    5ccc(O)cc5)cc1; c1ccc(cc1)Cc2c3[n+](cc(n
    2)c4ccc(cc4)O)C(=O)N(N3)Cc5ccc(cc5)O    		 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
    35089 NSX
    ZINC000150344818    		 6 C57 H64 N8 O6 InChI=1S/C57H64N8O6/c58-5
    7(59)62-35-12-20-50(56(71
    )65-51(37-41-25-31-48(66)
    32-26-41)54(69)61-36-33-4
    0-13-4-1-5-14-40)64-55(70
    )49(63-53(68)39-43-23-29-
    47(30-24-43)45-17-8-3-9-1
    8-45)19-10-11-34-60-52(67
    )38-42-21-27-46(28-22-42)
    44-15-6-2-7-16-44/h1-9,13
    -18,21-32,49-51,66H,10-12
    ,19-20,33-39H2,(H,60,67)(
    H,61,69)(H,63,68)(H,64,70
    )(H,65,71)(H4,58,59,62)/t
    49-,50+,51-/m0/s1;
    IFVMSTPAHOWZAK-HLRAQNEOSA-N    		 O=C(NCCCCC(NC(=O)Cc2ccc(c1ccccc1)cc2)C(=
    O)NC(C(=O)NC(C(=O)NCCc3ccccc3)Cc4ccc(O)c
    c4)CCCNC(=[N@H])N)Cc6ccc(c5ccccc5)cc6; N
    C(=N)NCCC[C@@H](NC(=O)[C@H](CCCCNC(=O)Cc
    1ccc(cc1)c2ccccc2)NC(=O)Cc3ccc(cc3)c4ccc
    cc4)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)NCCc6
    ccccc6; c1ccc(cc1)CCNC(=O)C(Cc2ccc(cc2)O
    )NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)Cc
    3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccc
    cc6; [H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](
    Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H
    ](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc
    5ccc(cc5)c6ccccc6; NC(=N)NCCC[CH](NC(=O)
    [CH](CCCCNC(=O)Cc1ccc(cc1)c2ccccc2)NC(=O
    )Cc3ccc(cc3)c4ccccc4)C(=O)N[CH](Cc5ccc(O
    )cc5)C(=O)NCCc6ccccc6    		 N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide
    35090 NSY
    ZINC000150344820    		 12 C57 H64 N8 O5 InChI=1S/C57H64N8O5/c58-5
    7(59)62-36-15-25-50(56(70
    )65-51(38-42-18-7-2-8-19-
    42)54(68)61-37-34-41-16-5
    -1-6-17-41)64-55(69)49(63
    -53(67)40-44-28-32-48(33-
    29-44)46-22-11-4-12-23-46
    )24-13-14-35-60-52(66)39-
    43-26-30-47(31-27-43)45-2
    0-9-3-10-21-45/h1-12,16-2
    3,26-33,49-51H,13-15,24-2
    5,34-40H2,(H,60,66)(H,61,
    68)(H,63,67)(H,64,69)(H,6
    5,70)(H4,58,59,62)/t49-,5
    0+,51-/m0/s1;
    YLNSEFZQVOPLSQ-HLRAQNEOSA-N    		 NC(=N)NCCC[C@@H](NC(=O)[C@H](CCCCNC(=O)C
    c1ccc(cc1)c2ccccc2)NC(=O)Cc3ccc(cc3)c4cc
    ccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)NCCc6cc
    ccc6; [H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H]
    (Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](
    CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5c
    cc(cc5)c6ccccc6; NC(=N)NCCC[CH](NC(=O)[C
    H](CCCCNC(=O)Cc1ccc(cc1)c2ccccc2)NC(=O)C
    c3ccc(cc3)c4ccccc4)C(=O)N[CH](Cc5ccccc5)
    C(=O)NCCc6ccccc6; c1ccc(cc1)CCNC(=O)C(Cc
    2ccccc2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN
    C(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc
    5)c6ccccc6; O=C(NCCCCC(NC(=O)Cc2ccc(c1cc
    ccc1)cc2)C(=O)NC(C(=O)NC(C(=O)NCCc3ccccc
    3)Cc4ccccc4)CCCNC(=[N@H])N)Cc6ccc(c5cccc
    c5)cc6    		 N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
    35091 NSZ
    ZINC000058638412    		 2 C41 H49 N7 O4 S InChI=1S/C41H49N7O4S/c1-5
    3-28-36(46-37(49)27-31-19
    -21-33(22-20-31)32-16-9-4
    -10-17-32)40(52)47-34(18-
    11-24-45-41(42)43)39(51)4
    8-35(26-30-14-7-3-8-15-30
    )38(50)44-25-23-29-12-5-2
    -6-13-29/h2-10,12-17,19-2
    2,34-36H,11,18,23-28H2,1H
    3,(H,44,50)(H,46,49)(H,47
    ,52)(H,48,51)(H4,42,43,45
    )/t34-,35+,36+/m1/s1;
    UYRQVAFRIYOHSH-SBPNQFBHSA-N    		 CSC[C@H](NC(=O)Cc1ccc(cc1)c2ccccc2)C(=O)
    N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3
    )C(=O)NCCc4ccccc4; [H]/N=C(/N)\NCCCC(C(=
    O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(
    =O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4; CSCC
    (C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(
    =O)NCCc2ccccc2)NC(=O)Cc3ccc(cc3)c4ccccc4
    ; CSC[CH](NC(=O)Cc1ccc(cc1)c2ccccc2)C(=O
    )N[CH](CCCNC(N)=N)C(=O)N[CH](Cc3ccccc3)C
    (=O)NCCc4ccccc4; O=C(NC(C(=O)NC(C(=O)NC(
    C(=O)NCCc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])
    N)CSC)Cc4ccc(c3ccccc3)cc4    		 N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
    35092 NT
    CHEMBL307767
    ZINC000004403891    		 0 C18 H26 N10 O3 InChI=1S/C18H26N10O3/c1-2
    7-9-11(6-12(27)16(30)23-4
    -3-14(19)20)26-17(31)13-5
    -10(8-28(13)2)25-15(29)7-
    24-18(21)22/h5-6,8-9H,3-4
    ,7H2,1-2H3,(H3,19,20)(H,2
    3,30)(H,25,29)(H,26,31)(H
    4,21,22,24);
    IDBIFFKSXLYUOT-UHFFFAOYSA-N    		 Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=N)
    N)NC(=O)CNC(=N)N; O=C(Nc1cc(C(=O)NCCC(=[
    N@H])N)n(c1)C)c2cc(NC(=O)CNC(=[N@H])N)cn
    2C; Cn1cc(NC(=O)c2cc(NC(=O)CNC(N)=N)cn2C
    )cc1C(=O)NCCC(N)=N    		 NETROPSIN
    35093 NT0 2 C23 H19 N3 O2 InChI=1S/C23H19N3O2/c27-2
    2(15-19-12-7-13-28-19)26-
    23-20(14-17-8-3-1-4-9-17)
    25-21(16-24-23)18-10-5-2-
    6-11-18/h1-13,16H,14-15H2
    ,(H,24,26,27);
    SGNAEEQPPHGYPX-UHFFFAOYSA-N    		 O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc
    4; c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O)
    Cc4ccco4    		 N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide;
    2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide
    35094 NT1 0 C55 H98 O54 S6 InChI=1S/C55H98O54S6/c1-7
    8-15-21-14-22(80-3)33(82-
    5)50(95-21)100-30-24(16-7
    9-2)96-51(43(87-10)34(30)
    83-6)101-31-25(19-93-111(
    63,64)65)97-52(44(88-11)3
    5(31)84-7)103-38-36(85-8)
    46(90-13)54(106-41(38)48(
    56)57)102-32-26(20-94-112
    (66,67)68)98-55(47(109-11
    5(75,76)77)40(32)108-114(
    72,73)74)104-39-37(86-9)4
    5(89-12)53(105-42(39)49(5
    8)59)99-29-23(18-92-110(6
    0,61)62)91-17-27(28(29)81
    -4)107-113(69,70)71/h21-5
    9H,14-20H2,1-13H3,(H,60,6
    1,62)(H,63,64,65)(H,66,67
    ,68)(H,69,70,71)(H,72,73,
    74)(H,75,76,77)/t21-,22-,
    23+,24+,25+,26+,27-,28+,2
    9+,30+,31+,32+,33+,34-,35
    -,36-,37-,38-,39-,40-,41-
    ,42+,43+,44+,45+,46+,47+,
    50?,51-,52+,53+,54+,55+/m
    0/s1;
    QNKPWFIPDVKGET-ARQCQYMKSA-N    		 COC[CH]1C[CH](OC)[CH](OC)[CH](O1)O[CH]2[
    CH](COC)O[CH](O[CH]3[CH](CO[S](O)(=O)=O)
    O[CH](O[CH]4[CH](OC)[CH](OC)[CH](O[CH]4C
    (O)O)O[CH]5[CH](CO[S](O)(=O)=O)O[CH](O[C
    H]6[CH](OC)[CH](OC)[CH](O[CH]6C(O)O)O[CH
    ]7[CH](CO[S](O)(=O)=O)OC[CH](O[S](O)(=O)
    =O)[CH]7OC)[CH](O[S](O)(=O)=O)[CH]5O[S](
    O)(=O)=O)[CH](OC)[CH]3OC)[CH](OC)[CH]2OC
    ; COC[C@@H]1C[C@H](OC)[C@@H](OC)[C@H](O1
    )O[C@@H]2[C@@H](COC)O[C@@H](O[C@@H]3[C@@
    H](CO[S](O)(=O)=O)O[C@H](O[C@H]4[C@H](OC
    )[C@@H](OC)[C@@H](O[C@@H]4C(O)O)O[C@@H]5
    [C@@H](CO[S](O)(=O)=O)O[C@H](O[C@H]6[C@H
    ](OC)[C@@H](OC)[C@@H](O[C@H]6C(O)O)O[C@@
    H]7[C@@H](CO[S](O)(=O)=O)OC[C@H](O[S](O)
    (=O)=O)[C@H]7OC)[C@H](O[S](O)(=O)=O)[C@H
    ]5O[S](O)(=O)=O)[C@H](OC)[C@H]3OC)[C@H](
    OC)[C@H]2OC; COCC1CC(C(C(O1)OC2C(OC(C(C2
    OC)OC)OC3C(OC(C(C3OC)OC)OC4C(C(C(OC4C(O)
    O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC
    6C(C(C(OC6C(O)O)OC7C(OCC(C7OC)OS(=O)(=O)
    O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)
    COS(=O)(=O)O)COC)OC)OC; O=S(=O)(OCC7OCC(
    OS(=O)(=O)O)C(OC)C7OC6OC(C(O)O)C(OC5OC(C
    (OC4OC(C(OC3OC(COS(=O)(=O)O)C(OC2OC(COC)
    C(OC1OC(CC(OC)C1OC)COC)C(OC)C2OC)C(OC)C3
    OC)C(OC)C4OC)C(O)O)C(OS(=O)(=O)O)C5OS(=O
    )(=O)O)COS(=O)(=O)O)C(OC)C6OC)O; COC[C@@
    H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H](O[C@
    H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@
    @H]([C@@H]([C@H]3OC)OC)O[C@H]4[C@@H]([C@
    H]([C@@H](O[C@@H]4C(O)O)O[C@@H]5[C@H](O[
    C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O
    )O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]6C(O
    )O)O[C@@H]7[C@H](OC[C@@H]([C@H]7OC)OS(=O
    )(=O)O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)O
    C)OC)COS(=O)(=O)O)COC)OC)OC    		 HEPARIN HEPTASACCHARIDE
    35095 NT2 0 C6 H12 O18 S4 InChI=1S/C6H12O18S4/c7-6-
    5(24-28(17,18)19)4(23-27(
    14,15)16)3(22-26(11,12)13
    )2(21-6)1-20-25(8,9)10/h2
    -7H,1H2,(H,8,9,10)(H,11,1
    2,13)(H,14,15,16)(H,17,18
    ,19)/t2-,3-,4+,5-,6+/m1/s
    1;
    SPIXVQOXHJQNTH-DVKNGEFBSA-N    		 C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O
    )OS(=O)(=O)O)OS(=O)(=O)O; C([C@@H]1[C@H]
    ([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(
    =O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O; O=S(=O
    )(O)OCC1OC(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O
    )C1OS(=O)(=O)O; O[CH]1O[CH](CO[S](O)(=O)
    =O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O
    )[CH]1O[S](O)(=O)=O; O[C@H]1O[C@H](CO[S]
    (O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@H](O[S
    ](O)(=O)=O)[C@H]1O[S](O)(=O)=O    		 2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE
    35096 NT3 4 C5 H Fe N6 O InChI=1S/5CN.Fe.HNO/c5*1-
    2;;1-2/h;;;;;;2H/q5*-1;+2
    ;/p+1;
    FXHPAMQNLMZRAK-UHFFFAOYSA-O    		 [Fe++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#
    N.N#[OH+]; [C-](#N)[Fe+2]([C-]#N)([C-]#N
    )([C-]#N)([C-]#N)[N]#[OH+]    		 Nitroprusside ion
    35097 NT4
    CHEMBL3289023    		 1 C27 H30 N6 O3 InChI=1S/C27H30N6O3/c28-1
    9-5-7-20(8-6-19)33-27(34)
    18-13-23(35-21-9-1-16(2-1
    0-21)25(29)30)15-24(14-18
    )36-22-11-3-17(4-12-22)26
    (31)32/h1-4,9-15,19-20H,5
    -8,28H2,(H3,29,30)(H3,31,
    32)(H,33,34)/t19-,20-;
    PCTUHSSCHRLPLB-MXVIHJGJSA-N    		 [H]/N=C(\N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)N
    C3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N; c1c
    c(ccc1C(=N)N)Oc2cc(cc(c2)Oc3ccc(cc3)C(=N
    )N)C(=O)NC4CCC(CC4)N; N[C@H]1CC[C@@H](CC
    1)NC(=O)c2cc(Oc3ccc(cc3)C(N)=N)cc(Oc4ccc
    (cc4)C(N)=N)c2; O=C(NC1CCC(N)CC1)c4cc(Oc
    2ccc(C(=[N@H])N)cc2)cc(Oc3ccc(C(=[N@H])N
    )cc3)c4; N[CH]1CC[CH](CC1)NC(=O)c2cc(Oc3
    ccc(cc3)C(N)=N)cc(Oc4ccc(cc4)C(N)=N)c2    		 N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide
    35098 NT5
    CHEMBL2107822
    DB12158
    ZINC000043201232    		 2 C24 H25 F N4 O2 InChI=1S/C24H25FN4O2/c1-1
    6-4-8-20(23-26-10-3-11-27
    -23)21(12-16)24(30)29-14-
    18(6-5-17(29)2)15-31-22-9
    -7-19(25)13-28-22/h3-4,7-
    13,17-18H,5-6,14-15H2,1-2
    H3/t17-,18-/m1/s1;
    NPFDWHQSDBWQLH-QZTJIDSGSA-N    		 C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c
    3cc(C)ccc3c4ncccn4; Cc1ccc(c(c1)C(=O)N2C
    [C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4;
    C[CH]1CC[CH](COc2ccc(F)cn2)CN1C(=O)c3cc
    (C)ccc3c4ncccn4; Cc1ccc(c(c1)C(=O)N2CC(C
    CC2C)COc3ccc(cn3)F)c4ncccn4    		 [(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone
    35099 NT6 6 C16 H18 Cl2 N2 O InChI=1S/C16H18Cl2N2O/c17
    -12-4-14(19-8-13(12)18)20
    -15(21)16-5-9-1-10(6-16)3
    -11(2-9)7-16/h4,8-11H,1-3
    ,5-7H2,(H,19,20,21)/t9-,1
    0+,11-,16-;
    RBBBMHRIAFVEFR-XMEMTASGSA-N    		 Clc1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl
    ; c1c(c(cnc1NC(=O)C23CC4CC(C2)CC(C4)C3)C
    l)Cl; O=C(Nc1cc(Cl)c(Cl)cn1)C12CC3CC(CC(
    C3)C1)C2    		 (3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide
    35100 NT7
    CHEMBL1605695
    ZINC000019235648    		 5 C14 H20 N2 O2 InChI=1S/C14H20N2O2/c1-11
    -4-3-5-13(12(11)2)15-14(1
    7)10-16-6-8-18-9-7-16/h3-
    5H,6-10H2,1-2H3,(H,15,17);
    PPTFUQPLPCCALB-UHFFFAOYSA-N    		 Cc1cccc(NC(=O)CN2CCOCC2)c1C; N(C(=O)CN1C
    COCC1)c2cccc(c2C)C; Cc1cccc(c1C)NC(=O)CN
    2CCOCC2    		 N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
    35101 NT8
    CHEMBL5288063
    ZINC000100166436    		 2 C10 H25 N O6 P2 InChI=1S/C10H25NO6P2/c1-2
    -3-4-5-6-7-8-9-10(11,18(1
    2,13)14)19(15,16)17/h2-9,
    11H2,1H3,(H2,12,13,14)(H2
    ,15,16,17);
    TWYYYYAFACTHMV-UHFFFAOYSA-N    		 CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O; CCCCC
    CCCCC(N)([P](O)(O)=O)[P](O)(O)=O    		 (1-azanyl-1-phosphono-decyl)phosphonic acid
    35102 NT9
    ZINC000004200648    		 3 C12 H13 N S InChI=1S/C12H13NS/c1-13-9
    -10-4-6-11(7-5-10)12-3-2-
    8-14-12/h2-8,13H,9H2,1H3;
    DRDAOZOONYPMPX-UHFFFAOYSA-N    		 CNCc1ccc(cc1)c2cccs2; CNCc1ccc(cc1)c2scc
    c2    		 ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine
    35103 NTA
    CHEMBL1234848
    DB03040
    ZINC000001849692    		 30 C6 H9 N O6 InChI=1S/C6H9NO6/c8-4(9)1
    -7(2-5(10)11)3-6(12)13/h1
    -3H2,(H,8,9)(H,10,11)(H,1
    2,13);
    MGFYIUFZLHCRTH-UHFFFAOYSA-N    		 C(C(=O)O)N(CC(=O)O)CC(=O)O; O=C(O)CN(CC(
    =O)O)CC(=O)O; OC(=O)CN(CC(O)=O)CC(O)=O    		 NITRILOTRIACETIC ACID
    35104 NTB
    CHEMBL13782
    ZINC000004789979    		 0 C4 H11 N InChI=1S/C4H11N/c1-4(2,3)
    5/h5H2,1-3H3;
    YBRBMKDOPFTVDT-UHFFFAOYSA-N    		 NC(C)(C)C; CC(C)(C)N TERTIARY-BUTYLAMINE
    35105 NTC 1 C5 H7 N O7 InChI=1S/C5H7NO7/c7-3(8)1
    -5(11,4(9)10)2-6(12)13/h1
    1H,1-2H2,(H,7,8)(H,9,10)/
    t5-/m1/s1;
    MTIGFRIXIPBOPZ-RXMQYKEDSA-N    		 OC(=O)C[C@@](O)(C[N+]([O-])=O)C(O)=O; C(
    C(=O)O)C(C[N+](=O)[O-])(C(=O)O)O; OC(=O)
    C[C](O)(C[N+]([O-])=O)C(O)=O; O=C(O)CC(O
    )(C(=O)O)C[N+](=O)[O-]; C(C(=O)O)[C@@](C
    [N+](=O)[O-])(C(=O)O)O    		 2-HYDROXY-2-NITROMETHYL SUCCINIC ACID
    35106 NTD
    CHEMBL23996
    DB08307
    ZINC000013473744    		 13 C14 H10 F3 N O5 InChI=1S/C14H10F3NO5/c15-
    14(16,17)7-4-5-8(9(6-7)18
    (22)23)13(21)12-10(19)2-1
    -3-11(12)20/h4-6,21H,1-3H
    2;
    PMHVFNYNPNKNRO-UHFFFAOYSA-N    		 c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=C2C(=
    O)CCCC2=O)O; O=C2C(=C(\O)c1ccc(cc1[N+]([
    O-])=O)C(F)(F)F)\C(=O)CCC2; OC(c1ccc(cc1
    [N+]([O-])=O)C(F)(F)F)=C2C(=O)CCCC2=O    		 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE
    35107 NTE 4 C34 H31 Fe N5 O6 InChI=1S/C34H33N5O6.Fe/c1
    -6-21-17(2)27-15-30-24(11
    -12-39(44)45)20(5)26(36-3
    0)13-25-18(3)22(7-9-33(40
    )41)31(37-25)16-32-23(8-1
    0-34(42)43)19(4)28(38-32)
    14-29(21)35-27;/h6,11-16H
    ,1,7-10H2,2-5H3,(H4,35,36
    ,37,38,40,41,42,43);/q;+2
    /p-2/b12-11+,25-13-,26-13
    -,27-15-,28-14-,29-14-,30
    -15-,31-16-,32-16-;;
    MBEUICWDKPMPCN-RXJYIKGQSA-L    		 CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7
    n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8\C
    =C\[N+]([O-])=O)C)c(C)c7C=C; CC1=C(CCC(O
    )=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|
    6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C[N+]([O-])
    =O)C)c(C)c7C=C; Cc1c2n3c(c1CCC(=O)O)C=C4
    C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=
    C8C)C=C)C(=C(C7=C2)C)/C=C/[N+](=O)[O-])C
    )CCC(=O)O; N45[Fe]26n1c8c(c(c1C=C3N2=C(C
    (=C3C)\C=C\[N+]([O-])=O)C=C4C(=C(C5=CC7=
    N6C(C(=C7C)CCC(=O)O)=C8)\C=C)C)C)CCC(O)=
    O; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[
    Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(
    C7=C2)C)C=C[N+](=O)[O-])C)CCC(=O)O    		 [3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro panoato(2-)]iron;
    Nitriheme
    35108 NTF
    CHEMBL1234850
    ZINC000013863726    		 1 C8 H12 F3 N O6 InChI=1S/C8H12F3NO6/c9-8(
    10,11)7(17)12-6-5(16)4(15
    )3(14)2(1-13)18-6/h2-6,13
    -16H,1H2,(H,12,17)/t2-,3-
    ,4+,5-,6-/m1/s1;
    XMUBEPVSEUVEBW-VFUOTHLCSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC
    (=O)C(F)(F)F)O)O)O)O; OC[C@H]1O[C@@H](NC
    (=O)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O;
    C(C1C(C(C(C(O1)NC(=O)C(F)(F)F)O)O)O)O; O
    C[CH]1O[CH](NC(=O)C(F)(F)F)[CH](O)[CH](O
    )[CH]1O; O=C(NC1OC(C(O)C(O)C1O)CO)C(F)(F
    )F    		 N-(trifluoroacetyl)-beta-D-glucopyranosylamine;
    N-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE;
    N-(trifluoroacetyl)-beta-D-glucosylamine;
    N-(trifluoroacetyl)-D-glucosylamine;
    N-(trifluoroacetyl)-glucosylamine
    35109 NTG
    CHEMBL4901185
    ZINC000097227385    		 6 C11 H13 N3 O InChI=1S/C11H13N3O/c12-8-
    10-2-3-11(9-13-10)14-4-1-
    6-15-7-5-14/h2-3,9H,1,4-7
    H2;
    QPJKHSFVBDONPD-UHFFFAOYSA-N    		 c1cc(ncc1N2CCCOCC2)C#N; N#Cc1ccc(cn1)N2C
    CCOCC2; N#Cc2ncc(N1CCCOCC1)cc2    		 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
    35110 NTH
    DB08308
    ZINC000033821445    		 2 C22 H30 O5 InChI=1S/C22H30O5/c1-22-1
    1-10-16-15-5-3-14(23)12-1
    3(15)2-4-17(16)18(22)6-7-
    19(22)27-21(26)9-8-20(24)
    25/h12,15-19H,2-11H2,1H3,
    (H,24,25)/t15-,16+,17+,18
    -,19+,22-/m0/s1;
    IRQUJNVGEAJGSD-KIEDKLRZSA-N    		 O=C(O)CCC(=O)OC2CCC1C4C(CCC12C)C3C(=CC(=
    O)CC3)CC4; C[C@]12CC[C@H]3[C@@H](CCC4=CC
    (=O)CC[C@H]34)[C@@H]1CC[C@H]2OC(=O)CCC(O
    )=O; C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]
    34)[CH]1CC[CH]2OC(=O)CCC(O)=O; CC12CCC3C
    (C1CCC2OC(=O)CCC(=O)O)CCC4=CC(=O)CCC34;
    C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC(=
    O)CCC(=O)O)CCC4=CC(=O)CC[C@H]34    		 SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER
    35111 NTI
    CHEMBL1401
    DB00507
    ZINC000003956788    		 1 C12 H9 N3 O5 S InChI=1S/C12H9N3O5S/c1-7(
    16)20-9-5-3-2-4-8(9)11(17
    )14-12-13-6-10(21-12)15(1
    8)19/h2-6H,1H3,(H,13,14,1
    7);
    YQNQNVDNTFHQSW-UHFFFAOYSA-N    		 CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O
    -]; CC(=O)Oc1ccccc1C(=O)Nc2sc(cn2)[N+]([
    O-])=O; O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccc
    cc2OC(=O)C    		 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate
    35112 NTJ
    ZINC000038424911    		 10 C4 H12 N O2 P InChI=1S/C4H12NO2P/c1-4-7
    -8(6)5(2)3/h8H,4H2,1-3H3;
    VJBIKDDUGQICEU-UHFFFAOYSA-N    		 CCOP(=O)N(C)C; O=P(OCC)N(C)C; CCO[P@H](=
    O)N(C)C; CCO[PH](=O)N(C)C    		 R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE
    35113 NTK
    CHEMBL118722
    DB12709
    ZINC000003860906    		 3 C15 H26 O6 InChI=1S/C15H26O6/c1-4-7-
    13(16)19-10-12(21-15(18)9
    -6-3)11-20-14(17)8-5-2/h1
    2H,4-11H2,1-3H3;
    UYXTWWCETRIEDR-UHFFFAOYSA-N    		 CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC 2,3-di(butanoyloxy)propyl butanoate
    35114 NTL 2 C23 H43 N5 O8 InChI=1S/C23H43N5O8/c1-5-
    27-15-8-13(25)18(35-21-14
    (28-11(2)29)7-6-12(9-24)3
    4-21)16(30)19(15)36-22-17
    (31)20(26-4)23(3,32)10-33
    -22/h6,13-22,26-27,30-32H
    ,5,7-10,24-25H2,1-4H3,(H,
    28,29)/t13-,14+,15+,16-,1
    7+,18+,19-,20-,21+,22+,23
    -/m0/s1;
    GQIIPKQUZXGMPH-PWAQZHRDSA-N    		 CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C
    @@H]2[C@@H]([C@@H]([C@@](CO2)(C)O)NC)O)O
    )O[C@@H]3[C@@H](CC=C(O3)CN)NC(=O)C)N; CC
    NC1C(C(C(C(C1)N)OC2C(CC=C(CN)O2)NC(C)=O)
    O)OC3OCC(C)(C(C3O)NC)O; CCNC1CC(C(C(C1OC
    2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N
    C(=O)C)N; CCN[CH]1C[CH](N)[CH](O[CH]2OC(
    =CC[CH]2NC(C)=O)CN)[CH](O)[CH]1O[CH]3OC[
    C](C)(O)[CH](NC)[CH]3O; CCN[C@@H]1C[C@H]
    (N)[C@@H](O[C@H]2OC(=CC[C@H]2NC(C)=O)CN)
    [C@H](O)[C@H]1O[C@H]3OC[C@](C)(O)[C@@H](
    NC)[C@H]3O    		 N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide;
    acetylated-netilmicin
    35115 NTM
    CHEMBL286204
    DB01796
    ZINC000000331671    		 29 C7 H5 N O4 InChI=1S/C7H5NO4/c9-6(10)
    4-2-1-3-8-5(4)7(11)12/h1-
    3H,(H,9,10)(H,11,12);
    GJAWHXHKYYXBSV-UHFFFAOYSA-N    		 c1cc(c(nc1)C(=O)O)C(=O)O; OC(=O)c1cccnc1
    C(O)=O; O=C(O)c1ncccc1C(=O)O    		 QUINOLINIC ACID
    35116 NTN
    ZINC000002389932    		 13 C6 H7 N3 InChI=1S/C6H7N3/c7-6(8)5-
    1-3-9-4-2-5/h1-4H,(H3,7,8
    );
    BIJRUEBMNUUNIJ-UHFFFAOYSA-N    		 NC(=N)c1ccncc1; c1cnccc1C(=N)N; [N@H]=C(
    N)c1ccncc1    		 ISONICOTINAMIDINE
    35117 NTO
    CHEMBL1201202
    DB00569    		 0 C31 H53 N3 O49 S8 InChI=1S/C31H53N3O49S8/c1
    -69-27-9(33-85(48,49)50)1
    3(37)17(6(74-27)3-71-88(5
    7,58)59)76-31-22(83-91(66
    ,67)68)16(40)21(24(81-31)
    26(43)44)79-29-10(34-86(5
    1,52)53)19(82-90(63,64)65
    )18(7(75-29)4-72-89(60,61
    )62)77-30-15(39)14(38)20(
    23(80-30)25(41)42)78-28-8
    (32-84(45,46)47)12(36)11(
    35)5(73-28)2-70-87(54,55)
    56/h5-24,27-40H,2-4H2,1H3
    ,(H,41,42)(H,43,44)(H,45,
    46,47)(H,48,49,50)(H,51,5
    2,53)(H,54,55,56)(H,57,58
    ,59)(H,60,61,62)(H,63,64,
    65)(H,66,67,68)/t5-,6-,7-
    ,8-,9-,10-,11-,12-,13-,14
    -,15-,16+,17-,18-,19-,20+
    ,21+,22-,23+,24-,27+,28-,
    29-,30-,31-/m1/s1;
    KANJSNBRCNMZMV-ABRZTLGGSA-N    		 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO
    S(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C
    @@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@
    H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([
    C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@
    H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)
    O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)
    O)O)OS(=O)(=O)O)O)NS(=O)(=O)O; CO[C@H]1O
    [C@H](CO[S](O)(=O)=O)[C@@H](O[C@@H]2O[C@
    H]([C@@H](O[C@H]3O[C@H](CO[S](O)(=O)=O)[
    C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@
    H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]
    5N[S](O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C
    @H](O[S](O)(=O)=O)[C@H]3N[S](O)(=O)=O)[C
    @H](O)[C@H]2O[S](O)(=O)=O)C(O)=O)[C@H](O
    )[C@H]1N[S](O)(=O)=O; COC1C(C(C(C(O1)COS
    (=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(
    C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)O
    C5C(C(C(C(O5)COS(=O)(=O)O)O)O)NS(=O)(=O)
    O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=
    O)O)O)NS(=O)(=O)O; CO[CH]1O[CH](CO[S](O)
    (=O)=O)[CH](O[CH]2O[CH]([CH](O[CH]3O[CH]
    (CO[S](O)(=O)=O)[CH](O[CH]4O[CH]([CH](O[
    CH]5O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[
    CH]5N[S](O)(=O)=O)[CH](O)[CH]4O)C(O)=O)[
    CH](O[S](O)(=O)=O)[CH]3N[S](O)(=O)=O)[CH
    ](O)[CH]2O[S](O)(=O)=O)C(O)=O)[CH](O)[CH
    ]1N[S](O)(=O)=O; O=S(=O)(O)NC5C(O)C(O)C(
    OC5OC1C(O)C(O)C(OC1C(=O)O)OC4C(OC(OC3C(O
    )C(OS(=O)(=O)O)C(OC2C(O)C(NS(=O)(=O)O)C(
    OC)OC2COS(=O)(=O)O)OC3C(=O)O)C(NS(=O)(=O
    )O)C4OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O
    )O    		 TRISULFOAMINO HEPARIN PENTASACCHARIDE;
    Fondaparinux
    35118 NTP 0 C36 H60 O55 S9 InChI=1S/C36H60O55S9/c1-6
    8-13-10(7-74-92(41,42)43)
    78-34(26(16(13)69-2)88-97
    (56,57)58)82-19-17(70-3)2
    5(72-5)33(84-23(19)30(37)
    38)80-15-12(9-76-94(47,48
    )49)79-35(29(91-100(65,66
    )67)22(15)87-96(53,54)55)
    83-20-18(71-4)27(89-98(59
    ,60)61)36(85-24(20)31(39)
    40)81-14-11(8-75-93(44,45
    )46)77-32(73-6)28(90-99(6
    2,63)64)21(14)86-95(50,51
    )52/h10-29,32-36H,7-9H2,1
    -6H3,(H,37,38)(H,39,40)(H
    ,41,42,43)(H,44,45,46)(H,
    47,48,49)(H,50,51,52)(H,5
    3,54,55)(H,56,57,58)(H,59
    ,60,61)(H,62,63,64)(H,65,
    66,67)/t10-,11-,12-,13-,1
    4-,15-,16+,17+,18+,19+,20
    +,21+,22+,23+,24-,25-,26-
    ,27-,28-,29-,32+,33-,34-,
    35-,36-/m1/s1;
    MQLWHPBUPXUQHM-XAYBSJBFSA-N    		 CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O[C
    @@H]2O[C@H]([C@@H](O[C@H]3O[C@H](CO[S](O
    )(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[
    C@H]5O[C@H](CO[S](O)(=O)=O)[C@@H](OC)[C@
    H](OC)[C@H]5O[S](O)(=O)=O)[C@H](OC)[C@H]
    4OC)C(O)=O)[C@H](O[S](O)(=O)=O)[C@H]3O[S
    ](O)(=O)=O)[C@H](OC)[C@H]2O[S](O)(=O)=O)
    C(O)=O)[C@H](O[S](O)(=O)=O)[C@H]1O[S](O)
    (=O)=O; CO[CH]1O[CH](CO[S](O)(=O)=O)[CH]
    (O[CH]2O[CH]([CH](O[CH]3O[CH](CO[S](O)(=
    O)=O)[CH](O[CH]4O[CH]([CH](O[CH]5O[CH](C
    O[S](O)(=O)=O)[CH](OC)[CH](OC)[CH]5O[S](
    O)(=O)=O)[CH](OC)[CH]4OC)C(O)=O)[CH](O[S
    ](O)(=O)=O)[CH]3O[S](O)(=O)=O)[CH](OC)[C
    H]2O[S](O)(=O)=O)C(O)=O)[CH](O[S](O)(=O)
    =O)[CH]1O[S](O)(=O)=O; O=S(=O)(OC5C(OC)C
    (OC)C(OC5OC1C(OC)C(OC)C(OC1C(=O)O)OC4C(O
    C(OC3C(OC)C(OS(=O)(=O)O)C(OC2C(OS(=O)(=O
    )O)C(OS(=O)(=O)O)C(OC)OC2COS(=O)(=O)O)OC
    3C(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)COS(
    =O)(=O)O)COS(=O)(=O)O)O; COC1C(OC(C(C1OC
    )OS(=O)(=O)O)OC2C(C(C(OC2C(=O)O)OC3C(OC(
    C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(C(C(OC4
    C(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O
    )O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O
    )(=O)O)OC)OC)COS(=O)(=O)O; CO[C@@H]1[C@H
    ](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O[
    C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)
    O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O
    )(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([
    C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H
    ]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O
    C)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O
    )O)OC)OC)COS(=O)(=O)O    		 HEPARIN PENTASACCHARIDE
    35119 NTQ
    CHEMBL4639973    		 2 C17 H20 F2 N4 O2 InChI=1S/C17H20F2N4O2/c1-
    8-14-11(6-13(24)21-15(14)
    23-22-8)9-2-4-10(5-3-9)20
    -16(25)12-7-17(12,18)19/h
    6,9-10,12H,2-5,7H2,1H3,(H
    ,20,25)(H2,21,22,23,24)/t
    9-,10-,12-/m0/s1;
    OWAGRTBSGRSEOG-NHCYSSNCSA-N    		 Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)
    [C@@H]4CC4(F)F; Cc1[nH]nc2NC(=O)C=C([C@@
    H]3CC[C@H](CC3)NC(=O)[C@@H]4CC4(F)F)c12;
    Cc1[nH]nc2NC(=O)C=C([CH]3CC[CH](CC3)NC(
    =O)[CH]4CC4(F)F)c12; Cc1c2c(n[nH]1)NC(=O
    )C=C2C3CCC(CC3)NC(=O)C4CC4(F)F    		 (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
    35120 NTR
    ZINC000002018403    		 0 C8 H9 N O4 InChI=1S/C8H9NO4/c9-7(8(1
    2)13)4-1-2-5(10)6(11)3-4/
    h1-3,7,10-11H,9H2,(H,12,1
    3)/t7-/m1/s1;
    ZBWTWPZGSGMRTG-SSDOTTSWSA-N    		 c1cc(c(cc1C(C(=O)O)N)O)O; c1cc(c(cc1[C@H
    ](C(=O)O)N)O)O; O=C(O)C(c1cc(O)c(O)cc1)N
    ; N[CH](C(O)=O)c1ccc(O)c(O)c1; N[C@@H](C
    (O)=O)c1ccc(O)c(O)c1    		 META-HYDROXY BETA NOR-TYROSINE
    35121 NTS
    DB04409    		 1 C10 H5 O9 S3 InChI=1S/C10H8O9S3/c11-20
    (12,13)7-1-2-9-6(3-7)4-8(
    21(14,15)16)5-10(9)22(17,
    18)19/h1-5H,(H,11,12,13)(
    H,14,15,16)(H,17,18,19)/p
    -3;
    ZPBSAMLXSQCSOX-UHFFFAOYSA-K    		 [O-][S](=O)(=O)c1ccc2c(c1)cc(cc2[S]([O-]
    )(=O)=O)[S]([O-])(=O)=O; [O-]S(=O)(=O)c1
    cc2c(cc1)c(cc(c2)S([O-])(=O)=O)S([O-])(=
    O)=O; c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O
    )(=O)[O-])S(=O)(=O)[O-]    		 NAPHTHALENE TRISULFONATE
    35122 NTT
    ZINC000263620830    		 0 C12 H18 N3 O9 P InChI=1S/C12H18N3O9P/c1-6
    -3-15(11(18)13-9(6)17)10-
    7-8(16)12(23-10,4-14(2)24
    -7)5-22-25(19,20)21/h3,7-
    8,10,16H,4-5H2,1-2H3,(H,1
    3,17,18)(H2,19,20,21)/t7-
    ,8+,10-,12-/m1/s1;
    OFICQOIAWJEWLX-UJYYTQATSA-N    		 CN1C[C]2(CO[P](O)(O)=O)O[CH]([CH](O1)[CH
    ]2O)N3C=C(C)C(=O)NC3=O; CC1=CN(C(=O)NC1=
    O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)C
    OP(=O)(O)O)O; CC1=CN(C(=O)NC1=O)C2C3C(C(
    O2)(CN(O3)C)COP(=O)(O)O)O; CN1C[C@]2(CO[
    P](O)(O)=O)O[C@H]([C@H](O1)[C@@H]2O)N3C=
    C(C)C(=O)NC3=O; O=C1C(=CN(C(=O)N1)C3OC2(
    C(O)C3ON(C)C2)COP(=O)(O)O)C    		 [(1R,5R,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
    35123 NTU
    DB02979
    ZINC000012502908    		 2 C18 H38 N4 S2 InChI=1S/C18H38N4S2/c1-23
    -17(19)21-15-13-11-9-7-5-
    3-4-6-8-10-12-14-16-22-18
    (20)24-2/h3-16H2,1-2H3,(H
    2,19,21)(H2,20,22);
    IOKDMHHZKWLWKO-UHFFFAOYSA-N    		 CSC(=NCCCCCCCCCCCCCCN=C(N)SC)N; CSC(N)=N
    CCCCCCCCCCCCCCN=C(N)SC; N(=C(/SC)N)\CCCC
    CCCCCCCCCC/N=C(\SC)N; CS/C(=N\CCCCCCCCCC
    CCCCN=C(N)SC)/N    		 N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE
    35124 NTV
    CHEMBL4998099
    ZINC000000804572    		 3 C12 H14 Cl N O2 InChI=1S/C12H14ClNO2/c1-8
    -9(13)4-2-5-10(8)14-12(15
    )11-6-3-7-16-11/h2,4-5,11
    H,3,6-7H2,1H3,(H,14,15)/t
    11-/m0/s1;
    BKWNJEPRFSSIFE-NSHDSACASA-N    		 N(C(=O)C1CCCO1)c2cccc(c2C)Cl; Cc1c(cccc1
    Cl)NC(=O)[C@@H]2CCCO2; Cc1c(Cl)cccc1NC(=
    O)[C@@H]2CCCO2; Cc1c(Cl)cccc1NC(=O)[CH]2
    CCCO2; Cc1c(cccc1Cl)NC(=O)C2CCCO2    		 (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
    35125 NTW
    CHEMBL4645814    		 2 C15 H18 N4 O InChI=1S/C15H18N4O/c1-9-1
    4-12(8-13(20)17-15(14)19-
    18-9)11-4-2-10(3-5-11)6-7
    -16/h8,10-11H,2-6H2,1H3,(
    H2,17,18,19,20)/t10-,11-;
    ZPCWQNHNXIMUEY-XYPYZODXSA-N    		 Cc1n[nH]c2NC(=O)C=C([C@H]3CC[C@@H](CC3)C
    C#N)c12; Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(C
    C3)CC#N; Cc1n[nH]c2NC(=O)C=C([CH]3CC[CH]
    (CC3)CC#N)c12    		 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile
    35126 NTX
    CHEMBL3289301    		 1 C29 H34 N6 O3 InChI=1S/C29H34N6O3/c30-2
    3-7-9-24(10-8-23)35-29(36
    )22-13-25(37-16-18-3-1-5-
    20(11-18)27(31)32)15-26(1
    4-22)38-17-19-4-2-6-21(12
    -19)28(33)34/h1-6,11-15,2
    3-24H,7-10,16-17,30H2,(H3
    ,31,32)(H3,33,34)(H,35,36
    )/t23-,24-;
    UKPKEJBTCDGYRU-RQNOJGIXSA-N    		 N[CH]1CC[CH](CC1)NC(=O)c2cc(OCc3cccc(c3)
    C(N)=N)cc(OCc4cccc(c4)C(N)=N)c2; c1cc(cc
    (c1)C(=N)N)COc2cc(cc(c2)OCc3cccc(c3)C(=N
    )N)C(=O)NC4CCC(CC4)N; [H]/N=C(\N)/c1cc(c
    cc1)COc2cc(cc(c2)C(=O)NC3CCC(CC3)N)OCc4c
    c(ccc4)/C(=N/[H])/N; O=C(NC1CCC(N)CC1)c4
    cc(OCc2cccc(C(=[N@H])N)c2)cc(OCc3cccc(C(
    =[N@H])N)c3)c4; N[C@H]1CC[C@@H](CC1)NC(=
    O)c2cc(OCc3cccc(c3)C(N)=N)cc(OCc4cccc(c4
    )C(N)=N)c2    		 N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide
    35127 NTY
    DB04308    		 0 C8 H9 N O3 InChI=1/C8H9NO3/c9-7(8(11
    )12)5-1-3-6(10)4-2-5/h1-4
    ,7,10H,9H2,(H,11,12)/t7-/
    m1/s1/f/h11H;
    LJCWONGJFPCTTL-OVWMGBBEDO    		 N[CH](C(O)=O)c1ccc(O)cc1; O=C(O)C(N)c1cc
    c(O)cc1; c1cc(ccc1C(C(=O)O)N)O; c1cc(ccc
    1[C@H](C(=O)O)N)O; N[C@@H](C(O)=O)c1ccc(
    O)cc1    		 BETA NOR-TYROSINE
    35128 NTZ
    DB02471
    ZINC000017193216    		 14 C6 H10 N4 O4 InChI=1S/C6H10N4O4/c11-1-
    2-3(12)4(13)5(14)6-7-8-9-
    10(2)6/h2-5,11-14H,1H2/t2
    -,3-,4+,5-/m1/s1;
    UCJXQRFJERKPOZ-SQOUGZDYSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O
    )O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O
    )c2nnnn12; n1nnn2c1C(O)C(O)C(O)C2CO; C(C
    1C(C(C(c2n1nnn2)O)O)O)O; OC[CH]1[CH](O)[
    CH](O)[CH](O)c2nnnn12    		 NOJIRIMYCINE TETRAZOLE
    35129 NU0 1 C16 H12 Cl N3 O InChI=1S/C16H12ClN3O/c17-
    13-3-1-2-11(6-13)7-16(21)
    20-15-10-19-8-12-4-5-18-9
    -14(12)15/h1-6,8-10H,7H2,
    (H,20,21);
    VQNYZMIKTVJRNS-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cncc3; Clc
    1cccc(CC(=O)Nc2cncc3ccncc23)c1; Clc1cccc
    (c1)CC(=O)Nc1cncc2ccncc21    		 2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide
    35130 NU1
    CHEMBL123904
    DB02690
    ZINC000018145500    		 5 C9 H8 N2 O2 InChI=1S/C9H8N2O2/c1-5-10
    -8-6(9(13)11-5)3-2-4-7(8)
    12/h2-4,12H,1H3,(H,10,11,
    13);
    YJDAOHJWLUNFLX-UHFFFAOYSA-N    		 CC1=Nc2c(cccc2O)C(=O)N1; CC1=Nc2c(O)cccc
    2C(=O)N1; O=C1c2c(N=C(N1)C)c(O)ccc2    		 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE;
    NU1025
    35131 NU2
    CHEMBL429736
    DB11818
    ZINC000006718496    		 1 C27 H34 N4 O5 InChI=1S/C27H34N4O5/c1-4-
    16(2)23-25(32)29-22(20-13
    -18-7-5-6-8-19(18)14-20)2
    6(33)31(23)24(21-15-36-17
    (3)28-21)27(34)30-9-11-35
    -12-10-30/h5-8,15-16,20,2
    2-24H,4,9-14H2,1-3H3,(H,2
    9,32)/t16-,22+,23+,24+/m0
    /s1;
    PLVGDGRBPMVYPB-FDUHJNRSSA-N    		 CCC(C)C1C(=O)NC(C(=O)N1C(c2coc(n2)C)C(=O
    )N3CCOCC3)C4Cc5ccccc5C4; CC[C@H](C)[C@H]
    1N([C@@H](C(=O)N2CCOCC2)c3coc(C)n3)C(=O)
    [C@H](NC1=O)C4Cc5ccccc5C4; CC[C@H](C)[C@
    @H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C
    )C(=O)N3CCOCC3)C4Cc5ccccc5C4; CC[CH](C)[
    CH]1N([CH](C(=O)N2CCOCC2)c3coc(C)n3)C(=O
    )[CH](NC1=O)C4Cc5ccccc5C4    		 (3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione
    35132 NU3
    CHEMBL131719
    ZINC000000026019    		 1 C14 H11 N3 O2 InChI=1S/C14H11N3O2/c15-1
    3(19)10-2-1-3-11-12(10)17
    -14(16-11)8-4-6-9(18)7-5-
    8/h1-7,18H,(H2,15,19)(H,1
    6,17);
    KOUGHMOSYJCJLE-UHFFFAOYSA-N    		 c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N;
    O=C(c3cccc2c3nc(c1ccc(O)cc1)n2)N; NC(=O
    )c1cccc2[nH]c(nc12)c3ccc(O)cc3    		 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
    35133 NU4
    ZINC000001516906    		 11 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c1-8-
    10(4-7-15-8)11(14)13-9-2-
    5-12-6-3-9/h2-7H,1H3,(H,1
    2,13,14);
    YQBDLYFUZJNLDH-UHFFFAOYSA-N    		 Cc1occc1C(=O)Nc2ccncc2; N(c1ccncc1)C(c2c
    coc2C)=O; Cc1c(cco1)C(=O)Nc2ccncc2    		 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide
    35134 NU5
    DB08309
    ZINC000016052683    		 2 C23 H32 N6 O4 S InChI=1S/C23H32N6O4S/c30-
    13-4-11-24-12-14-34(31,32
    )19-9-7-18(8-10-19)27-23-
    28-21-20(25-16-26-21)22(2
    9-23)33-15-17-5-2-1-3-6-1
    7/h7-10,16-17,24,30H,1-6,
    11-15H2,(H2,25,26,27,28,2
    9);
    AMFGILNPFBVREA-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4
    CCCCC4)CCNCCCO; c1cc(ccc1Nc2nc3c(c(n2)OC
    C4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO; OCCCN
    CC[S](=O)(=O)c1ccc(Nc2nc3[nH]cnc3c(OCC4C
    CCCC4)n2)cc1    		 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL
    35135 NU6
    CHEMBL4742985
    ZINC000584905644    		 1 C19 H22 N6 O2 InChI=1S/C19H22N6O2/c20-1
    6(26)13-7-4-8-14(9-13)23-
    19-24-17-15(21-11-22-17)1
    8(25-19)27-10-12-5-2-1-3-
    6-12/h4,7-9,11-12H,1-3,5-
    6,10H2,(H2,20,26)(H2,21,2
    2,23,24,25);
    XAOVCENYRWWHPR-UHFFFAOYSA-N    		 c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH
    ]3)C(=O)N; NC(=O)c1cccc(Nc2nc3[nH]cnc3c(
    OCC4CCCCC4)n2)c1    		 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide
    35136 NU7
    CHEMBL4525406
    ZINC000098209245    		 3 C26 H24 F3 N5 O2 S InChI=1S/C26H24F3N5O2S/c1
    -34-12-10-25(11-13-34,24-
    31-20(15-37-24)17-6-3-2-4
    -7-17)16-30-22(35)19-9-5-
    8-18(14-19)21-32-23(36-33
    -21)26(27,28)29/h2-9,14-1
    5H,10-13,16H2,1H3,(H,30,3
    5);
    BQFISAUAZNJOEG-UHFFFAOYSA-N    		 CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3noc(n3)C(
    F)(F)F)c4scc(n4)c5ccccc5; FC(F)(F)c1nc(n
    o1)c2cccc(c2)C(=O)NCC5(c3nc(cs3)c4ccccc4
    )CCN(C)CC5; CN1CCC(CC1)(CNC(=O)c2cccc(c2
    )c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5    		 N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
    35137 NU8
    CHEMBL3740099
    ZINC000141996744    		 1 C20 H15 F3 N4 O5 S InChI=1S/C20H15F3N4O5S/c1
    -31-16-8-12(9-25-19(16)32
    -2)27-20(28)26(10-13-14(2
    2)6-11(21)7-15(13)23)18-1
    7(33(27,29)30)4-3-5-24-18
    /h3-9H,10H2,1-2H3;
    SUQZCEUKWPKXEE-UHFFFAOYSA-N    		 COc1cc(cnc1OC)N2C(=O)N(Cc3c(F)cc(F)cc3F)
    c4ncccc4[S]2(=O)=O; COc1cc(cnc1OC)N2C(=O
    )N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F    		 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
    35138 NU9
    CHEMBL3110004
    ZINC000095828732    		 1 C25 H21 F3 N4 O3 S InChI=1S/C25H21F3N4O3S/c2
    6-25(27,28)22-31-20(32-35
    -22)17-7-4-8-18(13-17)21(
    33)29-15-24(9-11-34-12-10
    -24)23-30-19(14-36-23)16-
    5-2-1-3-6-16/h1-8,13-14H,
    9-12,15H2,(H,29,33);
    HORXBWNTEDOVKN-UHFFFAOYSA-N    		 FC(F)(F)c1nc(no1)c2cccc(c2)C(=O)NCC5(c3n
    c(cs3)c4ccccc4)CCOCC5; FC(F)(F)c1onc(n1)
    c2cccc(c2)C(=O)NCC3(CCOCC3)c4scc(n4)c5cc
    ccc5; c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(=
    O)c4cccc(c4)c5nc(on5)C(F)(F)F    		 N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
    35139 NUA
    ZINC000058393661    		 9 C10 H15 N3 O InChI=1S/C10H15N3O/c1-2-1
    3-7-9(6-11-13)12-10(14)8-
    4-3-5-8/h6-8H,2-5H2,1H3,(
    H,12,14);
    UVTFDTBDFQZRHD-UHFFFAOYSA-N    		 CCn1cc(cn1)NC(=O)C2CCC2; n1(CC)ncc(c1)NC
    (=O)C2CCC2; CCn1cc(NC(=O)C2CCC2)cn1    		 N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
    35140 NUB
    CHEMBL4456922    		 2 C20 H23 N3 O2 InChI=1S/C20H23N3O2/c1-14
    -11-16(13-22(2)20(14)24)1
    9-21-17-5-3-4-6-18(17)23(
    19)12-15-7-9-25-10-8-15/h
    3-6,11,13,15H,7-10,12H2,1
    -2H3;
    IWELMDBRVJWCNU-UHFFFAOYSA-N    		 CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4
    ; CN1C=C(C=C(C)C1=O)c2nc3ccccc3n2CC4CCOC
    C4    		 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one;
    1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
    35141 NUC 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-/m0/
    s1;
    ZWQNEFFHBSGFHV-HKMNZKMDSA-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=Cc3cc4c(nc3)NC(=O)C(CC4)N; CN
    (Cc1oc2ccccc2c1C)C(=O)\C=C\c3cnc4NC(=O)[
    C@@H](N)CCc4c3; Cc1c2ccccc2oc1CN(C)C(=O)
    /C=C/c3cc4c(nc3)NC(=O)[C@H](CC4)N    		 (2E)-3-[(7S)-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
    35142 NUD
    CHEMBL3086883
    ZINC000097758762    		 1 C18 H17 N5 O3 S InChI=1S/C18H17N5O3S/c1-1
    2-10-16(15(19)11-17(12)24
    )22-21-13-5-7-14(8-6-13)2
    7(25,26)23-18-4-2-3-9-20-
    18/h2-11,24H,19H2,1H3,(H,
    20,23)/b22-21+;
    DZTGIRNXWSZBIM-QURGRASLSA-N    		 Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)N
    c3ccccn3; Cc1cc(N=Nc2ccc(cc2)[S](=O)(=O)
    Nc3ccccn3)c(N)cc1O; Cc1cc(c(cc1O)N)N=Nc2
    ccc(cc2)S(=O)(=O)Nc3ccccn3; O=S(=O)(Nc1n
    cccc1)c3ccc(/N=N/c2cc(c(O)cc2N)C)cc3    		 4-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide
    35143 NUE
    CHEMBL3086884
    ZINC000098209246    		 1 C19 H19 N5 O3 S InChI=1S/C19H19N5O3S/c1-1
    2-11-16(18(20)13(2)19(12)
    25)23-22-14-6-8-15(9-7-14
    )28(26,27)24-17-5-3-4-10-
    21-17/h3-11,25H,20H2,1-2H
    3,(H,21,24)/b23-22+;
    PJXWUXARDBIOKJ-GHVJWSGMSA-N    		 O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(c(O)c(
    c2N)C)C)cc3; Cc1cc(c(c(c1O)C)N)N=Nc2ccc(
    cc2)S(=O)(=O)Nc3ccccn3; Cc1cc(c(c(c1O)C)
    N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3; Cc1
    cc(N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)c(N
    )c(C)c1O    		 4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide
    35144 NUF 0 C34 H38 F2 N4 Ni O4 InChI=1S/C34H40F2N4O4.Ni/
    c35-29-21-31(37-23-25-7-9
    -27(19-33(25)41)43-17-15-
    39-11-3-1-4-12-39)32(22-3
    0(29)36)38-24-26-8-10-28(
    20-34(26)42)44-18-16-40-1
    3-5-2-6-14-40;/h7-10,19-2
    4,41-42H,1-6,11-18H2;/q;+
    2/p-2/b37-23+,38-24+;;
    KYJUZDGNLQRIDM-OHUAMDITSA-L    		 Fc8cc3c(N5=Cc7c(O[Ni]54Oc2cc(OCCN1CCCCC1
    )ccc2C=N34)cc(OCCN6CCCCC6)cc7)cc8F; Fc1c
    c2N|3=Cc4ccc(OCCN5CCCCC5)cc4O[Ni]|6|3Oc7
    cc(OCCN8CCCCC8)ccc7C=N|6c2cc1F; c1cc2c(c
    c1OCCN3CCCCC3)O[Ni]45[N](=C2)c6cc(c(cc6[
    N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F    		 [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa O}(2-)]nickel (II);
    N,N-Bis[4-[[1-(2-ethyl)piperidine]oxy]salicylidene]-4,5-difluoro-1,2-phenylenediamine-Nickel (II)
    35145 NUG 4 C10 H17 N O S InChI=1S/C10H17NOS/c12-10
    -1-4-11(5-2-10)7-9-3-6-13
    -8-9/h3,10,12H,1-2,4-8H2;
    PFVAURGZHWBFTG-UHFFFAOYSA-N    		 N2(CC1=CCSC1)CCC(CC2)O; C1CN(CCC1O)CC2=C
    CSC2; OC1CCN(CC1)CC2=CCSC2    		 1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol
    35146 NUH
    CHEMBL4452292    		 3 C13 H13 N O2 InChI=1S/C13H13NO2/c1-14-
    9-11(6-7-13(14)15)10-4-3-
    5-12(8-10)16-2/h3-9H,1-2H
    3;
    WBOQDJCUHPQCRG-UHFFFAOYSA-N    		 CN1C=C(C=CC1=O)c2cccc(c2)OC; COc1cccc(c1
    )C2=CN(C)C(=O)C=C2    		 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one;
    5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
    35147 NUI 4 C40 H52 Fe4 N8 O6 S10 InChI=1S/2C20H28N4O3S3.4F
    e.4S/c2*25-17(4-2-1-3-16-
    19-15(11-30-16)23-20(27)2
    4-19)21-8-18(26)22-14-6-1
    2(9-28)5-13(7-14)10-29;;;
    ;;;;;/h2*5-7,15-16,19,28-
    29H,1-4,8-11H2,(H,21,25)(
    H,22,26)(H2,23,24,27);;;;
    ;;;;/q;;2*+1;2*+2;4*-1/p-
    4/t2*15-,16-,19-;;;;;;;;/
    m00......../s1;
    BUAXODRGONQWCA-XTALMZNNSA-J    		 c1c2cc(cc1CS[Fe+]34[S-]5[Fe]6([S-]3[Fe+]
    78[S-]6[Fe]5([S-]47)SCc9cc(cc(c9)NC(=O)C
    NC(=O)CCCCC1C3C(CS1)NC(=O)N3)CS8)SC2)NC(
    =O)CNC(=O)CCCCC1C2C(CS1)NC(=O)N2; O=C(CC
    CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCC(=O)
    Nc3cc4CS[Fe@]56[S-]7[Fe@]89SCc%10cc(CS[F
    e@@+]%11([S-]58)[S-]6[Fe@@+]7(SCc(c4)c3)
    [S-]9%11)cc(NC(=O)CNC(=O)CCCC[C@@H]%12SC
    [C@@H]%13NC(=O)N[C@H]%12%13)c%10; c1c2cc
    (cc1CS[Fe+]34[S-]5[Fe]6([S-]3[Fe+]78[S-]
    6[Fe]5([S-]47)SCc9cc(cc(c9)NC(=O)CNC(=O)
    CCCC[C@H]1[C@@H]3[C@H](CS1)NC(=O)N3)CS8)
    SC2)NC(=O)CNC(=O)CCCC[C@H]1[C@@H]2[C@H](
    CS1)NC(=O)N2; O=C(CCCC[CH]1SC[CH]2NC(=O)
    N[CH]12)NCC(=O)Nc3cc4CS[Fe]56[S-]7[Fe]89
    SCc%10cc(CS[Fe+]%11([S-]58)[S-]6[Fe+]7(S
    Cc(c4)c3)[S-]9%11)cc(NC(=O)CNC(=O)CCCC[C
    H]%12SC[CH]%13NC(=O)N[CH]%12%13)c%10    		 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide
    35148 NUJ 4 C11 H17 N3 O InChI=1S/C11H17N3O/c1-7-4
    -11(13-8(2)12-7)14(3)9-5-
    10(15)6-9/h4,9-10,15H,5-6
    H2,1-3H3/t9-,10-;
    SEZOHQAJJCEOMQ-MGCOHNPYSA-N    		 CN([CH]1C[CH](O)C1)c2cc(C)nc(C)n2; Cc1cc
    (nc(n1)C)N(C)C2CC(C2)O; N(c1nc(C)nc(c1)C
    )(C)C2CC(C2)O; CN([C@@H]1C[C@@H](O)C1)c2
    cc(C)nc(C)n2    		 trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
    35149 NUK
    CHEMBL1173787
    ZINC000000107891    		 4 C7 H4 O2 S2 InChI=1S/C7H4O2S2/c8-7(9)
    6-3-5-4(11-6)1-2-10-5/h1-
    3H,(H,8,9);
    GVZXSZWCZGKLRS-UHFFFAOYSA-N    		 c1csc2c1sc(c2)C(=O)O; OC(=O)c1sc2ccsc2c1 thieno[3,2-b]thiophene-5-carboxylic acid
    35150 NUL 1 C20 H25 N O4 InChI=1S/C20H25NO4/c1-11-
    6-5-7-12-10-13(19(25-4)21
    -16(11)12)17(23)15-14(22)
    8-9-20(2,3)18(15)24/h5-10
    ,14-15,17-18,22-24H,1-4H3
    /t14-,15+,17-,18+/m1/s1;
    AYRKTHYXDWJLTM-ATLSCFEFSA-N    		 Cc1cccc2c1nc(c(c2)C(C3C(C=CC(C3O)(C)C)O)
    O)OC; COc1nc2c(C)cccc2cc1[C@@H](O)[C@@H]
    3[C@H](O)C=CC(C)(C)[C@H]3O; Cc1cccc2c1nc
    (c(c2)[C@H]([C@@H]3[C@@H](C=CC([C@H]3O)(
    C)C)O)O)OC; COc1nc2c(C)cccc2cc1[CH](O)[C
    H]3[CH](O)C=CC(C)(C)[CH]3O    		 (1S,2R,3R)-2-[(S)-(2-methoxy-8-methyl-quinolin-3-yl)-oxidanyl-methyl]-6,6-dimethyl-cyclohex-4-ene-1,3-diol
    35151 NUM
    ZINC000001016488    		 7 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c17-1
    2-6-4-11(5-7-12)8-10-16-1
    4(18)13-3-1-2-9-15-13/h1-
    7,9,17H,8,10H2,(H,16,18);
    YXENGKAXLJYJOP-UHFFFAOYSA-N    		 N(C(c1ccccn1)=O)CCc2ccc(cc2)O; Oc1ccc(CC
    NC(=O)c2ccccn2)cc1; c1ccnc(c1)C(=O)NCCc2
    ccc(cc2)O    		 N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
    35152 NUN 6 C18 H18 N2 O S InChI=1S/C18H18N2OS/c1-18
    (2,3)15(21)11-22-17-19-10
    -13-9-8-12-6-4-5-7-14(12)
    16(13)20-17/h4-10H,11H2,1
    -3H3;
    VMPYQZVECCZOSV-UHFFFAOYSA-N    		 CC(C)(C)C(=O)CSc1ncc2ccc3ccccc3c2n1; CC(
    C)(C)C(=O)CSc1nc2c3ccccc3ccc2cn1    		 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
    35153 NUO 1 C19 H26 Cl N3 O2 InChI=1S/C19H26ClN3O2/c20
    -13-17(24)21-14-15-7-11-2
    3(12-8-15)18(25)19(9-4-10
    -19)22-16-5-2-1-3-6-16/h1
    -3,5-6,15,22H,4,7-14H2,(H
    ,21,24);
    FTHNPKJZIJMFGT-UHFFFAOYSA-N    		 ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3cccc
    c3; c1ccc(cc1)NC2(CCC2)C(=O)N3CCC(CC3)CN
    C(=O)CCl    		 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide
    35154 NUP
    CHEMBL514137
    ZINC000014975890    		 19 C9 H14 N3 O9 P InChI=1S/C9H14N3O9P/c10-4
    -1-5(13)11-9(16)12(4)8-7(
    15)6(14)3(21-8)2-20-22(17
    ,18)19/h1,3,6-8,14-15H,2,
    10H2,(H,11,13,16)(H2,17,1
    8,19)/t3-,6-,7-,8-/m1/s1;
    DUFXRFNPGXQQOI-YXZULKJRSA-N    		 C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O
    )O)O)N; NC1=CC(=O)NC(=O)N1[C@@H]2O[C@H](
    CO[P](O)(O)=O)[C@@H](O)[C@H]2O; O=C1NC(=
    O)N(C(N)=C1)C2OC(C(O)C2O)COP(=O)(O)O; C1
    =C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H
    ](O2)COP(=O)(O)O)O)O)N; NC1=CC(=O)NC(=O)
    N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O    		 6-AMINOURIDINE 5'-MONOPHOSPHATE
    35155 NUQ
    CHEMBL4450089    		 4 C15 H12 F N3 O InChI=1S/C15H12FN3O/c1-19
    -8-11(4-7-13(19)20)15-14(
    17-9-18-15)10-2-5-12(16)6
    -3-10/h2-9H,1H3,(H,17,18);
    QXLXUFQMLZRGPI-UHFFFAOYSA-N    		 CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F;
    CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3    		 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one
    35156 NUR 1 C18 H15 Cl N2 O InChI=1S/C18H15ClN2O/c1-2
    1(18(22)10-13-5-4-7-15(19
    )9-13)17-12-20-11-14-6-2-
    3-8-16(14)17/h2-9,11-12H,
    10H2,1H3;
    XFUDGCDECOIROA-UHFFFAOYSA-N    		 CN(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl; Cl
    c1cccc(c1)CC(=O)N(C)c1cncc2ccccc21; CN(C
    (=O)Cc1cccc(Cl)c1)c2cncc3ccccc23    		 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide
    35157 NUT
    CHEMBL191334
    DB17039
    ZINC000016051336    		 15 C30 H30 Cl2 N4 O4 InChI=1S/C30H30Cl2N4O4/c1
    -18(2)40-25-16-23(39-3)12
    -13-24(25)29-34-27(19-4-8
    -21(31)9-5-19)28(20-6-10-
    22(32)11-7-20)36(29)30(38
    )35-15-14-33-26(37)17-35/
    h4-13,16,18,27-28H,14-15,
    17H2,1-3H3,(H,33,37)/t27-
    ,28+/m0/s1;
    BDUHCSBCVGXTJM-WUFINQPMSA-N    		 COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O
    )N3CCNC(=O)C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5;
    O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2
    ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5; CC(C)O
    c1cc(ccc1C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4c
    cc(cc4)Cl)c5ccc(cc5)Cl)OC; COc1ccc(c(OC(
    C)C)c1)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)
    C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5; CC(C)Oc1cc
    (ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3
    )c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC    		 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one;
    Nutlin 3a
    35158 NUU
    CHEMBL5418920    		 1 C17 H19 N3 O S InChI=1S/C17H19N3OS/c1-17
    (2,3)14(21)10-22-16-19-9-
    11-6-7-13-12(15(11)20-16)
    5-4-8-18-13/h4-5,8-9H,6-7
    ,10H2,1-3H3;
    DIKYWZUDUGEQDD-UHFFFAOYSA-N    		 CC(C)(C)C(=O)CSc1ncc2CCc3ncccc3c2n1; CC(
    C)(C)C(=O)CSc1ncc2c(n1)-c3cccnc3CC2; CC(
    C)(C)C(=O)CSc1nc2c(CCc3ncccc32)cn1    		 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
    35159 NUW
    CHEMBL4593025    		 1 C25 H30 N4 O3 InChI=1S/C25H30N4O3/c1-15
    -11-20(12-16(2)23(15)31)2
    4-27-21-13-19(25(32)26-4)
    5-6-22(21)29(24)14-18-7-9
    -28(10-8-18)17(3)30/h5-6,
    11-13,18,31H,7-10,14H2,1-
    4H3,(H,26,32);
    XUCCKWZFCMIDPS-UHFFFAOYSA-N    		 CNC(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1
    )c4cc(C)c(O)c(C)c4; Cc1cc(cc(c1O)C)c2nc3
    cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC    		 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide;
    1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
    35160 NUX
    CHEMBL5562095    		 1 C24 H26 Cl2 F2 N2 O3 S InChI=1S/C24H26Cl2F2N2O3S
    /c1-4-24(27,28)22(31)14-3
    4(33)21-9-8-17(12-20(21)2
    6)23(32)30-11-10-29(15(2)
    16(30)3)19-7-5-6-18(25)13
    -19/h5-9,12-13,15-16H,4,1
    0-11,14H2,1-3H3/t15-,16-,
    34+/m0/s1;
    WYHRZGBTLDYJGW-GLVLYPABSA-N    		 CCC(F)(F)C(=O)C[S](=O)c1ccc(cc1Cl)C(=O)N
    2CCN([CH](C)[CH]2C)c3cccc(Cl)c3; CCC(C(=
    O)CS(=O)c1ccc(cc1Cl)C(=O)N2CCN(C(C2C)C)c
    3cccc(c3)Cl)(F)F; CCC(F)(F)C(=O)C[S@@](=
    O)c1ccc(cc1Cl)C(=O)N2CCN([C@@H](C)[C@@H]
    2C)c3cccc(Cl)c3; CCC(C(=O)C[S@@](=O)c1cc
    c(cc1Cl)C(=O)N2CCN([C@H]([C@@H]2C)C)c3cc
    cc(c3)Cl)(F)F    		 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one;
    1-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl-3,3-bis(fluoranyl)pentan-2-one
    35161 NUY
    ZINC000055250732    		 8 C12 H18 N2 O S InChI=1S/C12H18N2OS/c1-10
    (2)13-5-7-14(8-6-13)12(15
    )11-4-3-9-16-11/h3-4,9-10
    H,5-8H2,1-2H3;
    ZEVVAPJSMUTCRY-UHFFFAOYSA-N    		 CC(C)N1CCN(CC1)C(=O)c2cccs2; CC(C)N1CCN(
    CC1)C(=O)c2sccc2; N1(C(C)C)CCN(CC1)C(c2c
    ccs2)=O    		 [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
    35162 NUZ
    CHEMBL2032324
    ZINC000008781115    		 3 C21 H19 Cl N4 O4 InChI=1S/C21H19ClN4O4/c1-
    14-19(20(23-30-14)15-5-3-
    2-4-6-15)21(27)25-11-9-24
    (10-12-25)18-8-7-16(26(28
    )29)13-17(18)22/h2-8,13H,
    9-12H2,1H3;
    OWXBJAPOSQSWAO-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c
    (onc3c2ccccc2)C)CC4; Cc1onc(c2ccccc2)c1C
    (=O)N3CCN(CC3)c4ccc(cc4Cl)[N+]([O-])=O;
    Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc
    (cc4Cl)[N+](=O)[O-]    		 [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone;
    nucleozin
    35163 NV0 1 C20 H22 N2 O5 InChI=1S/C20H22N2O5/c1-4-
    10-22-19(26)16-11(2)12(8-
    9-13(16)21(3)20(22)27)18(
    25)17-14(23)6-5-7-15(17)2
    4/h8-9,23H,4-7,10H2,1-3H3;
    GZGGFOQLRZHBAA-UHFFFAOYSA-N    		 CCCN1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C
    (O)CCCC3=O; CCCN1C(=O)c2c(c(ccc2N(C1=O)C
    )C(=O)C3=C(CCCC3=O)O)C    		 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione
    35164 NV1
    CHEMBL3302647
    ZINC000082288978    		 1 C13 H20 N2 O InChI=1S/C13H20N2O/c1-9(2
    )15(12(16)8-14)13-10(3)6-
    5-7-11(13)4/h5-7,9H,8,14H
    2,1-4H3;
    XTROKJGKHGPNON-UHFFFAOYSA-N    		 Cc1cccc(c1N(C(C)C)C(=O)CN)C; CC(C)N(C(=O
    )CN)c1c(C)cccc1C    		 2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide
    35165 NV2
    CHEMBL4438171    		 2 C23 H30 N4 O4 InChI=1S/C23H30N4O4/c1-16
    -11-17(13-25(2)23(16)28)2
    2-24-20-12-18(26-7-9-31-1
    0-8-26)5-6-21(20)27(22)19
    (14-29-3)15-30-4/h5-6,11-
    13,19H,7-10,14-15H2,1-4H3;
    DDSHVVXWYKDTTQ-UHFFFAOYSA-N    		 CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)CO
    C)N4CCOCC4; COCC(COC)n1c2ccc(cc2nc1C3=CN
    (C)C(=O)C(=C3)C)N4CCOCC4    		 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one;
    5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
    35166 NV3 6 C18 H17 Cl N2 O S InChI=1S/C18H17ClN2OS/c1-
    18(2,3)15(22)10-23-17-20-
    9-12-5-4-11-6-7-13(19)8-1
    4(11)16(12)21-17/h4-9H,10
    H2,1-3H3;
    IRDAWQNLMFUAHZ-UHFFFAOYSA-N    		 CC(C)(C)C(=O)CSc1ncc2ccc3ccc(cc3c2n1)Cl;
    CC(C)(C)C(=O)CSc1ncc2ccc3ccc(Cl)cc3c2n1
    ; CC(C)(C)C(=O)CSc1nc2c3cc(Cl)ccc3ccc2cn
    1    		 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
    35167 NV4 4 C24 H23 N3 O7 S InChI=1S/C24H23N3O7S/c1-2
    9-17-4-11(5-18(30-2)21(17
    )31-3)19-12-6-15-16(34-10
    -33-15)7-13(12)22(35-24-2
    5-9-26-27-24)14-8-32-23(2
    8)20(14)19/h4-7,9,14,19-2
    0,22H,8,10H2,1-3H3,(H,25,
    26,27)/t14-,19-,20+,22+/m
    1/s1;
    WBKYKDGMCNMECE-QXHRYPSCSA-N    		 COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O
    )OC5)Sc6[nH]cnn6)OCO4; c25c(C(C1C(COC1=O
    )C2Sc3ncnn3)c4cc(c(c(c4)OC)OC)OC)cc6c(c5
    )OCO6; COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(c
    c3[C@@H]([C@H]5[C@@H]2C(=O)OC5)Sc6[nH]cn
    n6)OCO4; COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH
    ](COC3=O)[CH](Sc4[nH]cnn4)c5cc6OCOc6cc25
    ; COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@@H](
    COC3=O)[C@@H](Sc4[nH]cnn4)c5cc6OCOc6cc25    		 (5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
    35168 NV5 1 C23 H18 N6 O2 S InChI=1S/C23H18N6O2S/c1-2
    9-18-7-3-2-6-17(18)21-22(
    29)26-23(28-27-21)32-14-1
    9(30)25-15-9-11-16(12-10-
    15)31-20-8-4-5-13-24-20/h
    2-13H,14H2,1H3,(H,25,30);
    ZQQZWZKGMACADA-UHFFFAOYSA-N    		 Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)
    Oc5ccccn5; Cn1c2ccccc2c3nnc(SCC(=O)Nc4cc
    c(Oc5ccccn5)cc4)nc13    		 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide
    35169 NV6
    ZINC000000409842    		 4 C10 H12 N2 O4 InChI=1S/C10H12N2O4/c11-1
    0(16)12-8(9(14)15)5-6-1-3
    -7(13)4-2-6/h1-4,8,13H,5H
    2,(H,14,15)(H3,11,12,16)/
    t8-/m0/s1;
    PNLKYZVGQWCHBH-QMMMGPOBSA-N    		 NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O; c1cc(cc
    c1C[C@@H](C(=O)O)NC(=O)N)O; NC(=O)N[C@@H
    ](Cc1ccc(O)cc1)C(O)=O; c1cc(ccc1CC(C(=O)
    O)NC(=O)N)O    		 (2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
    35170 NV7
    ZINC000019787430    		 4 C10 H16 N2 O3 S InChI=1S/C10H16N2O3S/c1-1
    6(13,14)12-6-4-11(5-7-12)
    9-10-3-2-8-15-10/h2-3,8H,
    4-7,9H2,1H3;
    GATWUHAFAYSJAM-UHFFFAOYSA-N    		 CS(=O)(=O)N1CCN(CC1)Cc2ccco2; N2(CCN(Cc1
    occc1)CC2)S(C)(=O)=O; C[S](=O)(=O)N1CCN(
    CC1)Cc2occc2    		 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
    35171 NV8
    CHEMBL4590386    		 2 C21 H23 N3 O3 S InChI=1S/C21H23N3O3S/c25-
    28(26,17-7-2-1-3-8-17)24-
    14-6-11-21(24)12-15-23(16
    -13-21)20-22-18-9-4-5-10-
    19(18)27-20/h1-5,7-10H,6,
    11-16H2;
    KIKWLYIDCILHAP-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5
    ccccc5o4; O=[S](=O)(N1CCCC12CCN(CC2)c3oc
    4ccccc4n3)c5ccccc5    		 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
    35172 NV9 1 C19 H15 Cl N2 O InChI=1S/C19H15ClN2O/c20-
    16-8-4-5-14(11-16)12-19(2
    3)22-18-13-21-10-9-17(18)
    15-6-2-1-3-7-15/h1-11,13H
    ,12H2,(H,22,23);
    VSOZJTYJJHNDPD-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccncc2NC(=O)Cc3cccc(c3)Cl; O
    =C(Nc1cnccc1c1ccccc1)Cc1cccc(Cl)c1; Clc1
    cccc(CC(=O)Nc2cnccc2c3ccccc3)c1    		 2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide
    35173 NVA
    CHEMBL55612
    DB04185
    ZINC000000391821    		 21 C5 H11 N O2 InChI=1S/C5H11NO2/c1-2-3-
    4(6)5(7)8/h4H,2-3,6H2,1H3
    ,(H,7,8)/t4-/m0/s1;
    SNDPXSYFESPGGJ-BYPYZUCNSA-N    		 CCC[CH](N)C(O)=O; CCC[C@H](N)C(O)=O; CCC
    [C@@H](C(=O)O)N; O=C(O)C(N)CCC; CCCC(C(=
    O)O)N    		 NORVALINE
    35174 NVB
    CHEMBL1093749
    ZINC000044460276    		 2 C24 H23 N3 O5 S InChI=1S/C24H23N3O5S/c1-2
    5-33(28,29)17-10-8-15(9-1
    1-17)18-6-5-7-19-23(18)27
    -20(14-26-19)16-12-21(30-
    2)24(32-4)22(13-16)31-3/h
    5-14,25H,1-4H3;
    LYSCAOWDVVWGQK-UHFFFAOYSA-N    		 CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4c
    c(c(c(c4)OC)OC)OC; CN[S](=O)(=O)c1ccc(cc
    1)c2cccc3ncc(nc23)c4cc(OC)c(OC)c(OC)c4    		 N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
    35175 NVC
    CHEMBL506649
    DB08310
    ZINC000040980708    		 3 C19 H25 N3 O4 InChI=1S/C19H25N3O4/c1-2-
    3-7-14(12-21(25)13-23)19(
    24)22-11-6-9-16(22)18-20-
    15-8-4-5-10-17(15)26-18/h
    4-5,8,10,13-14,16,25H,2-3
    ,6-7,9,11-12H2,1H3/t14-,1
    6+/m1/s1;
    QDDZLTVSNABZIK-ZBFHGGJFSA-N    		 CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c2oc3
    ccccc3n2; CCCC[CH](CN(O)C=O)C(=O)N1CCC[C
    H]1c2oc3ccccc3n2; O=CN(O)CC(C(=O)N3CCCC3
    c1nc2ccccc2o1)CCCC; CCCC[C@H](CN(C=O)O)C
    (=O)N1CCC[C@H]1c2nc3ccccc3o2; CCCCC(CN(C
    =O)O)C(=O)N1CCCC1c2nc3ccccc3o2    		 N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide
    35176 NVD
    CHEMBL1562665
    ZINC000000468583    		 6 C11 H15 N5 InChI=1S/C11H15N5/c1-15(2
    )11-5-3-10(4-6-11)7-14-16
    -8-12-13-9-16/h3-6,8-9,14
    H,7H2,1-2H3;
    ZPORTAACPUBAHX-UHFFFAOYSA-N    		 N(C)(C)c2ccc(CNn1cnnc1)cc2; CN(C)c1ccc(C
    Nn2cnnc2)cc1; CN(C)c1ccc(cc1)CNn2cnnc2    		 N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
    35177 NVE
    CHEMBL2335856
    ZINC000095590437    		 1 C27 H33 N4 O5 P InChI=1S/C27H33N4O5P/c1-5
    -31-25-23(27(32)30(4)24-9
    -8-16-28-26(24)31)17-21(1
    8-29-25)11-10-20-12-14-22
    (15-13-20)34-19-37(33,35-
    6-2)36-7-3/h8-9,12-18H,5-
    7,10-11,19H2,1-4H3;
    YVBXNGRTCURFDW-UHFFFAOYSA-N    		 CCO[P](=O)(COc1ccc(CCc2cnc3N(CC)c4ncccc4
    N(C)C(=O)c3c2)cc1)OCC; O=P(OCC)(OCC)COc1
    ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)
    CC; CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4
    ccc(cc4)OCP(=O)(OCC)OCC)C    		 diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate;
    nevirapine phosphonate analogue
    35178 NVF
    CHEMBL5427332    		 6 C16 H18 N2 O S2 InChI=1S/C16H18N2OS2/c1-1
    6(2,3)13(19)9-21-15-17-8-
    10-4-5-12-11(6-7-20-12)14
    (10)18-15/h6-8H,4-5,9H2,1
    -3H3;
    YAJIYFCAESQMRI-UHFFFAOYSA-N    		 CC(C)(C)C(=O)CSc1ncc2c(n1)-c3ccsc3CC2; C
    C(C)(C)C(=O)CSc1ncc2CCc3sccc3c2n1    		 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
    35179 NVG
    ZINC000016052576    		 2 C19 H22 N6 O5 InChI=1S/C19H22N6O5/c20-1
    3-7-8-25(19(29)24-13)18-1
    7(28)16(27)12(30-18)9-21-
    15(26)6-5-14-22-10-3-1-2-
    4-11(10)23-14/h1-4,7-8,12
    ,16-18,27-28H,5-6,9H2,(H,
    21,26)(H,22,23)(H2,20,24,
    29)/t12-,16+,17+,18+/m0/s
    1;
    IHRYIMVLMZNCKA-FCRVUTKVSA-N    		 c1ccc2c(c1)[nH]c(n2)CCC(=O)NCC3C(C(C(O3)
    N4C=CC(=NC4=O)N)O)O; c1ccc2c(c1)[nH]c(n2
    )CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4
    C=CC(=NC4=O)N)O)O; NC1=NC(=O)N(C=C1)[CH]
    2O[CH](CNC(=O)CCc3[nH]c4ccccc4n3)[CH](O)
    [CH]2O; NC1=NC(=O)N(C=C1)[C@@H]2O[C@@H](
    CNC(=O)CCc3[nH]c4ccccc4n3)[C@@H](O)[C@H]
    2O; O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)C
    Cc3nc4ccccc4n3    		 4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE
    35180 NVH
    CHEMBL4592653    		 2 C19 H13 F3 N4 O5 S2 InChI=1S/C19H13F3N4O5S2/c
    1-32(28,29)13-7-12(8-23-9
    -13)26-19(27)25(10-14-15(
    21)5-11(20)6-16(14)22)18-
    17(33(26,30)31)3-2-4-24-1
    8/h2-9H,10H2,1H3;
    LWKUASRJTUZHSJ-UHFFFAOYSA-N    		 C[S](=O)(=O)c1cncc(c1)N2C(=O)N(Cc3c(F)cc
    (F)cc3F)c4ncccc4[S]2(=O)=O; CS(=O)(=O)c1
    cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c
    (cc(cc4F)F)F    		 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
    35181 NVI
    ZINC000005853223    		 5 C5 H7 N2 InChI=1S/C5H6N2/c1-2-7-4-
    3-6-5-7/h2-5H,1H2/p+1;
    OSSNTDFYBPYIEC-UHFFFAOYSA-O    		 C=C[n+]1cc[nH]c1; C=C\[n+]1ccnc1; C=C[n+
    ]1c[nH]cc1    		 1-VINYLIMIDAZOLE
    35182 NVJ
    CHEMBL1491504
    ZINC000000145618    		 3 C10 H13 N O2 InChI=1S/C10H13NO2/c1-2-1
    3-10(12)11-8-9-6-4-3-5-7-
    9/h3-7H,2,8H2,1H3,(H,11,1
    2);
    XSXLCQLOFRENHC-UHFFFAOYSA-N    		 N(Cc1ccccc1)C(=O)OCC; CCOC(=O)NCc1ccccc1 ethyl benzylcarbamate
    35183 NVK
    CHEMBL291536
    ZINC000000008794    		 4 C17 H13 N5 O2 InChI=1S/C17H13N5O2/c1-10
    -20-12-5-4-11(9-15(12)24-
    10)21-17(23)22-14-6-8-18-
    13-3-2-7-19-16(13)14/h2-9
    H,1H3,(H2,18,21,22,23);
    AKMNUCBQGHFICM-UHFFFAOYSA-N    		 Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1; C
    c1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4    		 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
    35184 NVM 2 C11 H14 N2 O S InChI=1S/C11H14N2OS/c1-9-
    3-2-5-13(6-4-9)11(14)10-7
    -15-8-12-10/h2,5,7-9H,3-4
    ,6H2,1H3/t9-/m1/s1;
    UZPOAAASLKBFBY-SECBINFHSA-N    		 C[CH]1CCN(C=CC1)C(=O)c2cscn2; N1(CCC(C)C
    C=C1)C(=O)c2cscn2; C[C@H]1CCN(C=CC1)C(=O
    )c2cscn2; CC1CCN(C=CC1)C(=O)c2cscn2    		 [(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone
    35185 NVN
    CHEMBL1334465
    ZINC000003995426    		 3 C19 H18 F2 N4 O InChI=1S/C19H18F2N4O/c1-1
    1-8-17(15-9-12(20)10-16(2
    1)18(15)22-11)24-19(26)23
    -13-4-6-14(7-5-13)25(2)3/
    h4-10H,1-3H3,(H2,22,23,24
    ,26);
    JTARFZSNUAGHRB-UHFFFAOYSA-N    		 Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)
    N(C)C; CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)c
    c(F)cc23)cc1    		 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea
    35186 NVO 1 C16 H12 Cl N3 O InChI=1S/C16H12ClN3O/c17-
    13-6-3-4-11(8-13)9-15(21)
    19-16-14-7-2-1-5-12(14)10
    -18-20-16/h1-8,10H,9H2,(H
    ,19,20,21);
    ATNZGZHLHMEMFV-UHFFFAOYSA-N    		 Clc1cccc(CC(=O)Nc2nncc3ccccc23)c1; Clc1c
    ccc(c1)CC(=O)Nc1nncc2ccccc21; c1ccc2c(c1
    )cnnc2NC(=O)Cc3cccc(c3)Cl    		 2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
    35187 NVP
    CHEMBL57
    DB00238
    ZINC000000004778    		 0 C15 H14 N4 O InChI=1S/C15H14N4O/c1-9-6
    -8-17-14-12(9)18-15(20)11
    -3-2-7-16-13(11)19(14)10-
    4-5-10/h2-3,6-8,10H,4-5H2
    ,1H3,(H,18,20);
    NQDJXKOVJZTUJA-UHFFFAOYSA-N    		 Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12; O=C2N
    c1c(ccnc1N(c3ncccc23)C4CC4)C; Cc1ccnc2c1
    NC(=O)c3cccnc3N2C4CC4    		 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE;
    NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE
    35188 NVQ
    CHEMBL5086809    		 4 C22 H26 Br N5 O4 S InChI=1S/C22H26BrN5O4S/c1
    -24-13-6-14-25-20-19(27(2
    )33(31,32)18-7-4-3-5-8-18
    )21(29)26-22(30)28(20)15-
    16-9-11-17(23)12-10-16/h3
    -5,7-12,24-25H,6,13-15H2,
    1-2H3,(H,26,29,30);
    QIFWEJFIKAQPPP-UHFFFAOYSA-N    		 CNCCCNC1=C(N(C)[S](=O)(=O)c2ccccc2)C(=O)
    NC(=O)N1Cc3ccc(Br)cc3; CNCCCNC1=C(C(=O)N
    C(=O)N1Cc2ccc(cc2)Br)N(C)S(=O)(=O)c3cccc
    c3    		 ~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
    35189 NVR
    CHEMBL5393746    		 2 C23 H21 N3 O5 InChI=1S/C23H21N3O5/c27-2
    0-19-22(28)24-10-9-15-5-3
    -7-17(13-15)30-11-1-2-12-
    31-18-8-4-6-16(14-18)21(2
    5-19)26-23(20)29/h1-8,13-
    14,27H,9-12H2,(H,24,28)(H
    ,25,26,29)/b2-1-;
    BGEWHIHKXORALY-UPHRSURJSA-N    		 O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1
    =C(O)C(=O)N2; OC1=C2N=C(NC1=O)c3cccc(OC\
    C=C/COc4cccc(CCNC2=O)c4)c3; c1cc2cc(c1)O
    CC=CCOc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)
    NCC2; OC1=C2N=C(NC1=O)c3cccc(OCC=CCOc4cc
    cc(CCNC2=O)c4)c3; c1cc2cc(c1)OC/C=C\COc3
    cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2    		 (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione;
    SJ001034732-1 (Cis-form)
    35190 NVS
    ZINC000043130039    		 6 C15 H13 N O4 InChI=1S/C15H13NO4/c1-19-
    13-6-3-11(4-7-13)16-9-10-
    2-5-12(17)8-14(10)20-15(1
    6)18/h2-8,17H,9H2,1H3;
    IBMJKJJMRYHRNQ-UHFFFAOYSA-N    		 COc1ccc(cc1)N2Cc3ccc(O)cc3OC2=O; N2(C(Oc
    1cc(O)ccc1C2)=O)c3ccc(cc3)OC; COc1ccc(cc
    1)N2Cc3ccc(cc3OC2=O)O    		 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one
    35191 NVU
    CHEMBL3792472
    ZINC000000161692    		 15 C9 H7 N O3 InChI=1S/C9H7NO3/c11-9(12
    )5-7-6-3-1-2-4-8(6)13-10-
    7/h1-4H,5H2,(H,11,12);
    BVSIAYQIMUUCRW-UHFFFAOYSA-N    		 O=C(O)Cc2noc1ccccc12; c1ccc2c(c1)c(no2)C
    C(=O)O; OC(=O)Cc1noc2ccccc12    		 2-(1,2-benzoxazol-3-yl)ethanoic acid
    35192 NVV
    ZINC000584905635    		 1 C19 H16 I N3 O2 InChI=1S/C19H16IN3O2/c20-
    13-3-1-2-12(6-13)18(24)16
    -9-21-8-15(16)11-4-5-14-1
    7(7-11)22-10-23-19(14)25/
    h1-7,10,15-16,21H,8-9H2,(
    H,22,23,25)/t15-,16+/m1/s
    1;
    GWAVIYJKLSHVMT-CVEARBPZSA-N    		 c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4
    c(c3)N=CNC4=O; Ic1cccc(c1)C(=O)[C@H]2CNC
    [C@@H]2c3ccc4C(=O)NC=Nc4c3; c1cc(cc(c1)I
    )C(=O)C2CNCC2c3ccc4c(c3)N=CNC4=O; Ic1ccc
    c(c1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4
    c3    		 7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one
    35193 NVW
    CHEMBL2385758
    ZINC000095920982    		 2 C25 H28 N4 O3 S InChI=1S/C25H28N4O3S/c1-2
    5(2,3)29-21(30)16-17-11-1
    3-19(14-12-17)26-24-22-20
    (10-7-15-33(22,31)32)27-2
    3(28-24)18-8-5-4-6-9-18/h
    4-6,8-9,11-14H,7,10,15-16
    H2,1-3H3,(H,29,30)(H,26,2
    7,28);
    IHIZFBWFXODXJS-UHFFFAOYSA-N    		 CC(C)(C)NC(=O)Cc1ccc(Nc2nc(nc3CCC[S](=O)
    (=O)c23)c4ccccc4)cc1; CC(C)(C)NC(=O)Cc1c
    cc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O
    ; O=C(NC(C)(C)C)Cc1ccc(cc1)Nc2nc(nc3c2S(
    =O)(=O)CCC3)c4ccccc4    		 N-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide
    35194 NVX
    ZINC000263621062    		 2 C19 H16 Cl N3 O2 InChI=1S/C19H16ClN3O2/c20
    -13-3-1-2-12(6-13)18(24)1
    6-9-21-8-15(16)11-4-5-14-
    17(7-11)22-10-23-19(14)25
    /h1-7,10,15-16,21H,8-9H2,
    (H,22,23,25)/t15-,16+/m1/
    s1;
    SWYGPPMJBPTZSH-CVEARBPZSA-N    		 c1cc(cc(c1)Cl)C(=O)C2CNCC2c3ccc4c(c3)N=C
    NC4=O; Clc1cccc(c1)C(=O)[CH]2CNC[CH]2c3c
    cc4C(=O)NC=Nc4c3; Clc1cccc(c1)C(=O)[C@H]
    2CNC[C@@H]2c3ccc4C(=O)NC=Nc4c3; c1cc(cc(
    c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=
    CNC4=O    		 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one
    35195 NVY 5 C13 H19 F N2 InChI=1S/C13H19FN2/c1-2-1
    6-9-7-11(8-10-16)15-13-6-
    4-3-5-12(13)14/h3-6,11,15
    H,2,7-10H2,1H3;
    JXDKAPWBGLJUDX-UHFFFAOYSA-N    		 N1(CCC(CC1)Nc2ccccc2F)CC; CCN1CCC(CC1)Nc
    2ccccc2F    		 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine
    35196 NVZ
    ZINC000095920950    		 8 C12 H18 N2 O4 S InChI=1S/C12H18N2O4S/c1-7
    (15)14-8-6-19-9(11(8)13-1
    2(14)18)4-2-3-5-10(16)17/
    h8-9,11H,2-6H2,1H3,(H,13,
    18)(H,16,17)/t8-,9-,11-/m
    0/s1;
    LXKFOEIWWHPOIN-QXEWZRGKSA-N    		 CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(
    =O)O; CC(=O)N1C2CSC(C2NC1=O)CCCCC(=O)O;
    CC(=O)N1[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2
    NC1=O; CC(=O)N1[CH]2CS[CH](CCCCC(O)=O)[C
    H]2NC1=O; O=C(O)CCCCC1SCC2N(C(=O)C)C(=O)
    NC12    		 5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
    35197 NW0 1 C15 H15 Cl N2 O InChI=1S/C15H15ClN2O/c1-1
    1-7-8-17-10-14(11)18-15(1
    9)6-5-12-3-2-4-13(16)9-12
    /h2-4,7-10H,5-6H2,1H3,(H,
    18,19);
    CQMIDRCPLJZCFD-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)CCc2cccc(c2)Cl; Cc1ccncc1
    NC(=O)CCc2cccc(Cl)c2; O=C(Nc1cnccc1C)CCc
    1cccc(Cl)c1    		 3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
    35198 NW1
    CHEMBL303958
    DB08312
    ZINC000003814479    		 1 C11 H17 N5 O2 InChI=1S/C11H17N5O2/c12-9
    -8(16-17)10(15-11(13)14-9
    )18-6-7-4-2-1-3-5-7/h7H,1
    -6H2,(H4,12,13,14,15);
    DGWXOLHKVGDQLN-UHFFFAOYSA-N    		 O=Nc2c(OCC1CCCCC1)nc(nc2N)N; Nc1nc(N)c(N
    =O)c(OCC2CCCCC2)n1; C1CCC(CC1)COc2c(c(nc
    (n2)N)N)N=O    		 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE
    35199 NW2
    CHEMBL4646141    		 1 C27 H29 N O5 InChI=1S/C27H29NO5/c1-16(
    2)19-11-17(9-10-32-26-21(
    27(29)30)5-4-6-25(26)31-3
    )12-20(13-19)18-7-8-24-22
    (14-18)23(28)15-33-24/h4-
    8,11-14,16,23H,9-10,15,28
    H2,1-3H3,(H,29,30)/t23-/m
    1/s1;
    KXSZMPGKDDBJRE-HSZRJFAPSA-N    		 CC(C)c1cc(cc(c1)c2ccc3c(c2)C(CO3)N)CCOc4
    c(cccc4OC)C(=O)O; COc1cccc(C(O)=O)c1OCCc
    2cc(cc(c2)c3ccc4OC[C@@H](N)c4c3)C(C)C; C
    C(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)C
    COc4c(cccc4OC)C(=O)O; COc1cccc(C(O)=O)c1
    OCCc2cc(cc(c2)c3ccc4OC[CH](N)c4c3)C(C)C    		 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid
    35200 NW3 3 C16 H21 N3 O4 S InChI=1S/C16H21N3O4S/c1-1
    6(2)12(15(22)23)19-14(24-
    16)10(8-20)18-13(21)11(17
    )9-6-4-3-5-7-9/h3-8,10-12
    ,14,19H,17H2,1-2H3,(H,18,
    21)(H,22,23)/t10-,11-,12-
    ,14-/m0/s1;
    WHAIWIUXAXKSOT-MNXVOIDGSA-N    		 CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)N)C(=
    O)O)C; CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(
    =O)[CH](N)c2ccccc2)C=O; O=C(NC(C=O)C1NC(
    C(=O)O)C(C)(C)S1)C(N)c1ccccc1; CC1([C@@H
    ](N[C@@H](S1)[C@H](C=O)NC(=O)[C@H](c2ccc
    cc2)N)C(=O)O)C; CC1(C)S[C@H](N[C@H]1C(O)
    =O)[C@@H](NC(=O)[C@@H](N)c2ccccc2)C=O    		 (2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).