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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.
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  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    31001 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
    31002 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
    31003 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
    31004 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
    31005 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
    31006 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
    31007 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
    31008 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
    31009 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
    31010 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
    31011 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
    31012 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
    31013 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
    31014 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
    31015 NRH
    CHEMBL275224
    ZINC000000066039    		 2 C11 H8 N2 InChI=1S/C11H8N2/c1-2-4-1
    0-8(3-1)9-5-6-12-7-11(9)1
    3-10/h1-7,13H;
    AIFRHYZBTHREPW-UHFFFAOYSA-N    		 n3ccc2c1c(cccc1)nc2c3; c1ccc2c(c1)c3ccnc
    c3[nH]2; [nH]1c2ccccc2c3ccncc13    		 Norharmane;
    9H-beta-carboline
    31016 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
    31017 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
    31018 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
    31019 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
    31020 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
    31021 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
    31022 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
    31023 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)
    31024 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)
    31025 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
    31026 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
    31027 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
    31028 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
    31029 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
    31030 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
    31031 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
    31032 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
    31033 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
    31034 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
    31035 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
    31036 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
    31037 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
    31038 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
    31039 NS5
    ZINC000064436376    		 35 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
    31040 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
    31041 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
    31042 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
    31043 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
    31044 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
    31045 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
    31046 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
    31047 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
    31048 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
    31049 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
    31050 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
    31051 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
    31052 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
    31053 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
    31054 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
    31055 NSM 8 C H3 N O InChI=1S/CH3NO/c1-2-3/h1H
    3;
    IMHRONYAKYWGCC-UHFFFAOYSA-N    		 CN=O; O=NC NITROSOMETHANE
    31056 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
    31057 NSO 1 C28 H28 F N7 O InChI=1S/C28H28FN7O/c1-3-
    26(37)30-21-5-4-6-22(18-2
    1)31-27-24-17-19(29)7-12-
    25(24)33-28(34-27)32-20-8
    -10-23(11-9-20)36-15-13-3
    5(2)14-16-36/h3-12,17-18H
    ,1,13-16H2,2H3,(H,30,37)(
    H2,31,32,33,34);
    KDWNVZXLHSMELQ-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccc(cc4c(n3)N
    c5cccc(c5)NC(=O)C=C)F; CN1CCN(CC1)c2ccc(
    Nc3nc(Nc4cccc(NC(=O)C=C)c4)c5cc(F)ccc5n3
    )cc2    		 ~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
    31058 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
    31059 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
    31060 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
    31061 NSS 7 C14 H21 N8 O8 S InChI=1S/C14H20N8O8S/c15-
    5(1-7(16)23)13(26)21-31(2
    7,28)29-2-6-9(24)10(25)14
    (30-6)22-4-20-8-11(17)18-
    3-19-12(8)22/h3-6,9-10,14
    ,24-25H,1-2,15H2,(H2,16,2
    3)(H,21,26)(H2,17,18,19)/
    p+1/t5-,6+,9+,10+,14+/m0/
    s1;
    MOAVDHSPHZUJSX-UFIIOMENSA-O    		 O=C(N)CC(C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(n
    cnc12)N)C(O)C3O)[NH3+]; NC(=O)C[CH]([NH3
    +])C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)
    [CH]1O)n2cnc3c(N)ncnc23; c1nc(c2c(n1)n(c
    n2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(
    =O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N; NC(
    =O)C[C@H]([NH3+])C(=O)N[S](=O)(=O)OC[C@H
    ]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc
    23; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)
    (=O)NC(=O)C(CC(=O)N)[NH3+])O)O)N    		 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE;
    ASN-SA
    31062 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
    31063 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
    31064 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
    31065 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
    31066 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
    31067 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
    31068 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
    31069 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
    31070 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
    31071 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
    31072 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
    31073 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
    31074 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
    31075 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
    31076 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
    31077 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
    31078 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
    31079 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
    31080 NTA
    CHEMBL1234848
    DB03040
    ZINC000001849692    		 9 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
    31081 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
    31082 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
    31083 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
    31084 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
    31085 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
    31086 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
    31087 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
    31088 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
    31089 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
    31090 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
    31091 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
    31092 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
    31093 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
    31094 NTO 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
    31095 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
    31096 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
    31097 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
    31098 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
    31099 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
    31100 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
    31101 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
    31102 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
    31103 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
    31104 NTY 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
    31105 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
    31106 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
    31107 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
    31108 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
    31109 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
    31110 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
    31111 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
    31112 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
    31113 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
    31114 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
    31115 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
    31116 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
    31117 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
    31118 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
    31119 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
    31120 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
    31121 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)
    31122 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
    31123 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
    31124 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
    31125 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
    31126 NUK
    CHEMBL1173787
    ZINC000000107891    		 3 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
    31127 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
    31128 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
    31129 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
    31130 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
    31131 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
    31132 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
    31133 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
    31134 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
    31135 NUU 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
    31136 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
    31137 NUX 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
    31138 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
    31139 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
    31140 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
    31141 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
    31142 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
    31143 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
    31144 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
    31145 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
    31146 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
    31147 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
    31148 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
    31149 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
    31150 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
    31151 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
    31152 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
    31153 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
    31154 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
    31155 NVF 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
    31156 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
    31157 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
    31158 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
    31159 NVJ
    CHEMBL1491504
    ZINC000000145618    		 1 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
    31160 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
    31161 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
    31162 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
    31163 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
    31164 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
    31165 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
    31166 NVR 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)
    31167 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
    31168 NVU
    CHEMBL3792472
    ZINC000000161692    		 12 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
    31169 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
    31170 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
    31171 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
    31172 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
    31173 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
    31174 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
    31175 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
    31176 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
    31177 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
    31178 NW4
    ZINC000000460647    		 4 C13 H23 N O2 InChI=1S/C13H23NO2/c15-13
    (14-8-10-16-11-9-14)7-6-1
    2-4-2-1-3-5-12/h12H,1-11H
    2;
    KUIOCGNNDZSGKS-UHFFFAOYSA-N    		 N1(CCOCC1)C(=O)CCC2CCCCC2; O=C(CCC1CCCCC
    1)N2CCOCC2; C1CCC(CC1)CCC(=O)N2CCOCC2    		 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one
    31179 NW5
    CHEMBL4636415    		 1 C27 H26 N2 O4 InChI=1S/C27H26N2O4/c1-27
    (2,16-28)21-10-17(14-32-2
    4-6-4-3-5-19(24)13-26(30)
    31)9-20(11-21)18-7-8-25-2
    2(12-18)23(29)15-33-25/h3
    -12,23H,13-15,29H2,1-2H3,
    (H,30,31)/t23-/m1/s1;
    SRKDCGUSWAONMJ-HSZRJFAPSA-N    		 CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)C(CO3)N)
    COc4ccccc4CC(=O)O; CC(C)(C#N)c1cc(COc2cc
    ccc2CC(O)=O)cc(c1)c3ccc4OC[CH](N)c4c3; C
    C(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO
    3)N)COc4ccccc4CC(=O)O; CC(C)(C#N)c1cc(CO
    c2ccccc2CC(O)=O)cc(c1)c3ccc4OC[C@@H](N)c
    4c3    		 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid
    31180 NW6
    CHEMBL9514
    DB08313
    ZINC000000056509    		 2 C14 H11 N3 O3 S InChI=1S/C14H11N3O3S/c1-2
    0-14(19)17-13-15-9-5-4-8(
    7-10(9)16-13)12(18)11-3-2
    -6-21-11/h2-7H,1H3,(H2,15
    ,16,17,19);
    KYRVNWMVYQXFEU-UHFFFAOYSA-N    		 COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3cccs3;
    COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3sccc3    		 nocodazole
    31181 NW7
    ZINC000000373530    		 7 C11 H13 N3 O3 InChI=1S/C11H13N3O3/c1-4-
    8-10(7(3)17-13-8)11(15)12
    -9-5-6(2)16-14-9/h5H,4H2,
    1-3H3,(H,12,14,15);
    OZMHRDLCZDDXRS-UHFFFAOYSA-N    		 CCc1noc(C)c1C(=O)Nc2cc(C)on2; n2oc(C)c(C
    (Nc1noc(c1)C)=O)c2CC; CCc1c(c(on1)C)C(=O
    )Nc2cc(on2)C    		 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
    31182 NW8
    CHEMBL4644541    		 2 C19 H13 Cl N2 InChI=1S/C19H13ClN2/c20-1
    6-10-8-14(9-11-16)17-7-4-
    12-22-13-18(21-19(17)22)1
    5-5-2-1-3-6-15/h1-13H;
    PWFFYDSSTMPMCL-UHFFFAOYSA-N    		 Clc1ccc(cc1)c2cccn3cc(nc23)c4ccccc4; c1c
    cc(cc1)c2cn3cccc(c3n2)c4ccc(cc4)Cl    		 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine
    31183 NW9 1 C22 H26 N2 O6 InChI=1S/C22H26N2O6/c1-12
    -14(20(27)19-16(25)6-3-7-
    17(19)26)8-9-15-18(12)21(
    28)24(22(29)23(15)2)11-13
    -5-4-10-30-13/h4-5,8-10,1
    6-17,19-20,25-27H,3,6-7,1
    1H2,1-2H3/t16-,17-,20+/m1
    /s1;
    CYBBVYSDLXTTAV-HLIPFELVSA-N    		 Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccco3)C(C4
    C(CCCC4O)O)O; Cc1c(ccc2c1C(=O)N(C(=O)N2C
    )Cc3ccco3)[C@@H](C4[C@@H](CCC[C@H]4O)O)O
    ; CN1C(=O)N(Cc2occc2)C(=O)c3c(C)c(ccc13)
    [C@H](O)C4[C@H](O)CCC[C@H]4O; CN1C(=O)N(
    Cc2occc2)C(=O)c3c(C)c(ccc13)[CH](O)C4[CH
    ](O)CCC[CH]4O    		 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione
    31184 NWA
    ZINC000038191892    		 8 C8 H20 N O2 InChI=1S/C8H20NO2/c1-8(10
    ,11)6-5-7-9(2,3)4/h10-11H
    ,5-7H2,1-4H3/q+1;
    WEYSSHXEYINXQE-UHFFFAOYSA-N    		 CC(CCC[N+](C)(C)C)(O)O; CC(O)(O)CCC[N+](
    C)(C)C; OC(O)(C)CCC[N+](C)(C)C    		 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM
    31185 NWB 0 C8 H18 N O InChI=1/C8H18NO/c1-8(10)6
    -5-7-9(2,3)4/h5-7H2,1-4H3
    /q+1;
    UKCYTFTWLWVZSO-UHFFFAOYAD    		 CC(=O)CCC[N+](C)(C)C; O=C(C)CCC[N+](C)(C
    )C    		 N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM
    31186 NWD
    CHEMBL121191
    ZINC000001702710    		 10 C7 H8 N4 O6 InChI=1S/C7H8N4O6/c8-3(6(
    13)14)1-10-2-4(11(16)17)5
    (12)9-7(10)15/h2-3H,1,8H2
    ,(H,13,14)(H,9,12,15)/t3-
    /m0/s1;
    IEBVITXSHAFLJR-VKHMYHEASA-N    		 C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)[N+](=O)[O
    -]; N[C@@H](CN1C=C(C(=O)NC1=O)[N+]([O-])
    =O)C(O)=O; C1=C(C(=O)NC(=O)N1C[C@@H](C(=
    O)O)N)[N+](=O)[O-]; N[CH](CN1C=C(C(=O)NC
    1=O)[N+]([O-])=O)C(O)=O; O=C(O)C(N)CN1C=
    C(C(=O)NC1=O)[N+]([O-])=O    		 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine;
    nitrowillardiine
    31187 NWE
    CHEMBL4637306    		 1 C24 H23 N O3 InChI=1S/C24H23NO3/c26-24
    (27)14-21-5-1-2-7-23(21)2
    8-16-17-4-3-6-19(12-17)20
    -9-8-18-10-11-25-15-22(18
    )13-20/h1-9,12-13,25H,10-
    11,14-16H2,(H,26,27);
    PKSHGMOAJDEGBL-UHFFFAOYSA-N    		 c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c
    3)CNCC4; OC(=O)Cc1ccccc1OCc2cccc(c2)c3cc
    c4CCNCc4c3    		 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid
    31188 NWF 2 C29 H35 Cl N4 O4 S3 InChI=1S/C29H35ClN4O4S3/c
    30-25-8-7-24(41-25)27(36)
    31-12-23-29(38)33-10-1-2-
    22(15-33)28(37)34-13-21(1
    4-34)18-40-17-20-5-3-19(4
    -6-20)16-39-11-9-26(35)32
    -23/h3-8,21-23H,1-2,9-18H
    2,(H,31,36)(H,32,35)/t22-
    ,23+/m0/s1;
    DMWNMQDHKVVIKK-XZOQPEGZSA-N    		 Clc1sc(cc1)C(=O)NC[CH]2NC(=O)CCSCc3ccc(C
    SCC4CN(C4)C(=O)[CH]5CCC[N](C5)C2=O)cc3;
    c1cc2ccc1CSCCC(=O)N[C@@H](C(=O)N3CCC[C@@
    H](C3)C(=O)N4CC(C4)CSC2)CNC(=O)c5ccc(s5)
    Cl; c1cc2ccc1CSCCC(=O)NC(C(=O)N3CCCC(C3)
    C(=O)N4CC(C4)CSC2)CNC(=O)c5ccc(s5)Cl; Cl
    c1sc(cc1)C(=O)NC[C@H]2NC(=O)CCSCc3ccc(CS
    CC4CN(C4)C(=O)[C@H]5CCC[N@@](C5)C2=O)cc3    		 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide
    31189 NWG
    ZINC000001529743    		 4 C6 H11 N3 O3 InChI=1S/C6H11N3O3/c7-6(8
    )9-3-1-2-4(10)5(11)12/h1-
    3H2,(H,11,12)(H4,7,8,9);
    ARBHXJXXVVHMET-UHFFFAOYSA-N    		 NC(N)=NCCCC(=O)C(O)=O; C(=O)(C(O)=O)CCC\
    N=C(/N)N; C(CC(=O)C(=O)O)CN=C(N)N    		 5-[(diaminomethylidene)amino]-2-oxopentanoic acid
    31190 NWH
    DB03061    		 4 C8 H17 N O InChI=1S/C8H17NO/c1-3-4-5
    -6-8(2)9-7-10/h7-8H,3-6H2
    ,1-2H3,(H,9,10)/t8-/m0/s1;
    GFVRKPKAQHTAQK-QMMMGPOBSA-N    		 CCCCC[C@H](C)NC=O; CCCCC[CH](C)NC=O; CCC
    CCC(C)NC=O    		 N-[(2S)-heptan-2-yl]formamide;
    (S)-N-1-methylhexylformamide
    31191 NWI 1 C16 H12 Cl N3 O InChI=1S/C16H12ClN3O/c17-
    13-5-1-3-11(7-13)8-15(21)
    20-14-10-18-9-12-4-2-6-19
    -16(12)14/h1-7,9-10H,8H2,
    (H,20,21);
    AFQAFSYTYCJOEN-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2nccc3; Clc
    1cccc(CC(=O)Nc2cncc3cccnc23)c1; Clc1cccc
    (c1)CC(=O)Nc1cncc2cccnc21    		 2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide
    31192 NWJ
    CHEMBL3318494
    ZINC000263621280    		 4 C18 H16 N6 O InChI=1S/C18H16N6O/c19-9-
    13-14-16(21-15(13)12-5-3-
    4-11(8-12)10-25)22-18(20)
    23-17(14)24-6-1-2-7-24/h3
    -5,8,10H,1-2,6-7H2,(H3,20
    ,21,22,23);
    YJUYKLYWYFTFQN-UHFFFAOYSA-N    		 c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N
    )C#N)C=O; Nc1nc2[nH]c(c3cccc(C=O)c3)c(C#
    N)c2c(n1)N4CCCC4; O=Cc1cccc(c1)c3c(C#N)c
    2c(nc(nc2n3)N)N4CCCC4    		 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    31193 NWK
    CHEMBL5028560    		 2 C20 H20 Cl2 N4 O5 S InChI=1S/C20H20Cl2N4O5S/c
    1-10-14(21)15(22)17(23-10
    )18(27)25-20-24-16-12(8-1
    1(19(28)29)9-13(16)32-20)
    31-7-4-26-2-5-30-6-3-26/h
    8-9,23H,2-7H2,1H3,(H,28,2
    9)(H,24,25,27);
    IALGYKMHQTUZKU-UHFFFAOYSA-N    		 Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=
    O)O)OCCN4CCOCC4)Cl)Cl; Cc1[nH]c(C(=O)Nc2
    sc3cc(cc(OCCN4CCOCC4)c3n2)C(O)=O)c(Cl)c1
    Cl    		 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid
    31194 NWL
    ZINC000003276805    		 4 C13 H16 N4 O2 InChI=1S/C13H16N4O2/c1-2-
    15-10-11(14)17(13(19)16-1
    2(10)18)8-9-6-4-3-5-7-9/h
    3-7,15H,2,8,14H2,1H3,(H,1
    6,18,19);
    DHIDSSFRXLUFLN-UHFFFAOYSA-N    		 O=C1C(=C(N)N(C(=O)N1)Cc2ccccc2)NCC; CCNC
    1=C(N)N(Cc2ccccc2)C(=O)NC1=O; CCNC1=C(N(
    C(=O)NC1=O)Cc2ccccc2)N    		 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione
    31195 NWM
    ZINC000263621234    		 4 C32 H51 N O8 InChI=1S/C32H51NO8/c1-8-3
    0(37)41-29(17-19-39-20-27
    -12-10-9-11-13-27)25(5)31
    (38)22(2)14-15-28(36)24(4
    )32(40-26(6)35)23(3)16-18
    -33(7)21-34/h9-13,21-25,2
    9,31-32,38H,8,14-20H2,1-7
    H3/t22-,23+,24-,25+,29+,3
    1+,32+/m0/s1;
    XTSMHDZMNHFSNK-YEERNSKASA-N    		 O=CN(C)CCC(C)C(OC(=O)C)C(C(=O)CCC(C)C(O)
    C(C)C(OC(=O)CC)CCOCc1ccccc1)C; CCC(=O)O[
    CH](CCOCc1ccccc1)[CH](C)[CH](O)[CH](C)CC
    C(=O)[CH](C)[CH](OC(C)=O)[CH](C)CCN(C)C=
    O; CCC(=O)OC(CCOCc1ccccc1)C(C)C(C(C)CCC(
    =O)C(C)C(C(C)CCN(C)C=O)OC(=O)C)O; CCC(=O
    )O[C@H](CCOCc1ccccc1)[C@@H](C)[C@@H]([C@
    @H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)CCN(
    C)C=O)OC(=O)C)O; CCC(=O)O[C@H](CCOCc1ccc
    cc1)[C@@H](C)[C@H](O)[C@@H](C)CCC(=O)[C@
    H](C)[C@H](OC(C)=O)[C@H](C)CCN(C)C=O    		 (3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate
    31196 NWN 2 C3 H4 Fe N2 Ni O InChI=1S/2CN.CH3O.Fe.Ni.H
    /c3*1-2;;;/h;;2H,1H2;;;/q
    ;;;;+2;-1;
    ZUFDVORDBCYGRI-UHFFFAOYSA-N    		 [H-]([Fe](CO)(C#N)C#N)[Ni+2]; [Ni++][H-]
    [Fe](CO)(C#N)C#N; [Ni+2][H-][Fe](C#N)(C#
    N)CO    		 hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappaC)(hydroxymethyl)iron
    31197 NWO
    ZINC000001712309    		 3 C7 H14 O InChI=1S/C7H14O/c1-6-3-2-
    4-7(8)5-6/h6-8H,2-5H2,1H3
    /t6-,7-/m0/s1;
    HTSABYAWKQAHBT-BQBZGAKWSA-N    		 CC1CCCC(C1)O; CC1CC(O)CCC1; C[C@H]1CCC[C
    @@H](C1)O; C[C@H]1CCC[C@H](O)C1; C[CH]1C
    CC[CH](O)C1    		 (1S,3S)-3-methylcyclohexan-1-ol
    31198 NWP
    ZINC000040105632    		 2 C9 H20 N2 O3 S InChI=1S/C9H20N2O3S/c1-8(
    2)10(4)15(12,13)11-5-6-14
    -9(3)7-11/h8-9H,5-7H2,1-4
    H3/t9-/m1/s1;
    XYVINBFQYYSZBX-SECBINFHSA-N    		 CC(C)N(C)[S](=O)(=O)N1CCO[C@H](C)C1; CC1
    CN(CCO1)S(=O)(=O)N(C)C(C)C; CC(C)N(C)[S]
    (=O)(=O)N1CCO[CH](C)C1; C[C@@H]1CN(CCO1)
    S(=O)(=O)N(C)C(C)C; N1(S(N(C(C)C)C)(=O)=
    O)CCOC(C)C1    		 (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
    31199 NWQ
    CHEMBL519809
    ZINC000001683110    		 1 C11 H14 N6 O4 InChI=1S/C11H14N6O4/c1-13
    -10(20)7-5(18)6(19)11(21-
    7)17-3-16-4-8(12)14-2-15-
    9(4)17/h2-3,5-7,11,18-19H
    ,1H3,(H,13,20)(H2,12,14,1
    5)/t5-,6+,7-,11+/m0/s1;
    PLYRYAHDNXANEG-QMWPFBOUSA-N    		 CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(
    N)ncnc23; CNC(=O)[C@@H]1[C@H]([C@H]([C@@
    H](O1)n2cnc3c2ncnc3N)O)O; CNC(=O)[C@H]1O
    [C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23;
    CNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3N)O)O    		 (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
    31200 NWR 2 C30 H36 Cl N3 O3 S2 InChI=1S/C30H36ClN3O3S2/c
    31-26-11-9-22(10-12-26)18
    -27-30(37)34-15-3-4-25(19
    -34)29(36)32-14-1-2-16-38
    -20-23-5-7-24(8-6-23)21-3
    9-17-13-28(35)33-27/h1-2,
    5-12,25,27H,3-4,13-21H2,(
    H,32,36)(H,33,35)/b2-1+/t
    25-,27-/m0/s1;
    PYZAWVLVOFYELK-DXKRRACBSA-N    		 Clc1ccc(C[C@@H]2NC(=O)CCSCc3ccc(CSC/C=C/
    CNC(=O)[C@H]4CCC[N@@](C4)C2=O)cc3)cc1; C
    lc1ccc(C[CH]2NC(=O)CCSCc3ccc(CSCC=CCNC(=
    O)[CH]4CCC[N](C4)C2=O)cc3)cc1; c1cc2ccc1
    CSCCC(=O)NC(C(=O)N3CCCC(C3)C(=O)NCC=CCSC
    2)Cc4ccc(cc4)Cl; c1cc2ccc1CSCCC(=O)N[C@H
    ](C(=O)N3CCC[C@@H](C3)C(=O)NC/C=C/CSC2)C
    c4ccc(cc4)Cl    		 (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione
    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).