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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    30201
    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
    30202
    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
    30203
    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
    30204
    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
    30205
    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
    30206
    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
    30207
    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
    30208
    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
    30209
    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
    30210
    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
    30211
    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
    30212
    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
    30213
    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
    30214
    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
    30215
    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
    30216
    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
    30217
    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
    30218
    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
    30219
    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
    30220
    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
    30221
    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
    30222
    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
    30223
    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
    30224
    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
    30225
    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
    30226
    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
    30227
    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
    30228
    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
    30229
    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
    30230
    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
    30231
    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
    30232
    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
    30233
    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
    30234
    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
    30235
    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
    30236
    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
    30237
    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
    30238
    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
    30239
    NTV
    CHEMBL4998099
    ZINC000000804572    		 2 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
    30240
    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
    30241
    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
    30242
    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
    30243
    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
    30244
    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
    30245
    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
    30246
    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
    30247
    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
    30248
    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
    30249
    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
    30250
    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
    30251
    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
    30252
    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
    30253
    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
    30254
    NUA
    ZINC000058393661    		 8 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
    30255
    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
    30256
    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
    30257
    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
    30258
    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
    30259
    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)
    30260
    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
    30261
    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
    30262
    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
    30263
    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
    30264
    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
    30265
    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
    30266
    NUM
    ZINC000001016488    		 6 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
    30267
    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
    30268
    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
    30269
    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
    30270
    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
    30271
    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
    30272
    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
    30273
    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
    30274
    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
    30275
    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
    30276
    NUY
    ZINC000055250732    		 7 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
    30277
    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
    30278
    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
    30279
    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
    30280
    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
    30281
    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
    30282
    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
    30283
    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
    30284
    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
    30285
    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
    30286
    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
    30287
    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
    30288
    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
    30289
    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
    30290
    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
    30291
    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
    30292
    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
    30293
    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
    30294
    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
    30295
    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
    30296
    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
    30297
    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
    30298
    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
    30299
    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
    30300
    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
    30301
    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
    30302
    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
    30303
    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
    30304
    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)
    30305
    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
    30306
    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
    30307
    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
    30308
    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
    30309
    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
    30310
    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
    30311
    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
    30312
    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
    30313
    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
    30314
    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
    30315
    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
    30316
    NW4
    ZINC000000460647    		 3 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
    30317
    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
    30318
    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
    30319
    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
    30320
    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
    30321
    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
    30322
    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
    30323
    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
    30324
    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
    30325
    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
    30326
    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
    30327
    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
    30328
    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
    30329
    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
    30330
    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
    30331
    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
    30332
    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
    30333
    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
    30334
    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
    30335
    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
    30336
    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
    30337
    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
    30338
    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
    30339
    NWS    		 1 C20 H26 Mo N10 O15 P2 S2 InChI=1S/C20H26N10O12P2S2
    .Mo.2H2O.O/c21-14-8-16(24
    -3-23-14)30(4-25-8)19-11(
    32)10(31)5(41-19)1-38-43(
    34,35)42-44(36,37)39-2-6-
    12(45)13(46)7-18(40-6)27-
    15-9(26-7)17(33)29-20(22)
    28-15;;;;/h3-7,10-11,18-1
    9,26,31-32,45-46H,1-2H2,(
    H,34,35)(H,36,37)(H2,21,2
    3,24)(H4,22,27,28,29,33);
    ;2*1H2;/q;+4;;;/p-4/t5-,6
    -,7+,10-,11-,18-,19-;;;;/
    m1..../s1;
    JFCKNKBKLSSQDE-NKWKRPJXSA-J    		 NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=
    O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)
    n5cnc6c(N)ncnc56)C7=C3S[Mo](O)(O)(=O)S7)
    C(=O)N1; NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@
    H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]
    ([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)C7=C3
    S[Mo](O)(O)(=O)S7)C(=O)N1; c1nc(c2c(n1)n
    (cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C
    5=C(C6C(O4)NC7=C(N6)C(=O)NC(=N7)N)S[Mo](
    =O)(S5)(O)O)O)O)N; c1nc(c2c(n1)n(cn2)[C@
    H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=
    O)(O)OC[C@@H]4C5=C([C@H]6[C@@H](O4)NC7=C
    (N6)C(=O)NC(=N7)N)S[Mo](=O)(S5)(O)O)O)O)
    N    		 Moco-AMP
    30340
    NWT    		 14 C39 H52 F2 N6 O8 InChI=1S/C39H52F2N6O8/c1-
    4-5-6-7-13-33(48)43-28(19
    -25-17-26(40)20-27(41)18-
    25)34(49)44-29-22-55-39(5
    4)32-16-23(2)21-47(32)36(
    51)24(3)42-35(50)30-11-8-
    9-14-45(30)38(53)31-12-10
    -15-46(31)37(29)52/h7,13,
    17-18,20,23-24,28-32H,4-6
    ,8-12,14-16,19,21-22H2,1-
    3H3,(H,42,50)(H,43,48)(H,
    44,49)/t23-,24+,28+,29+,3
    0+,31+,32+/m1/s1;
    BAEUBYUDIYWBPI-CSGPBTBZSA-N    		 CCCCC=CC(=O)NC(Cc1cc(cc(c1)F)F)C(=O)NC2C
    OC(=O)C3CC(CN3C(=O)C(NC(=O)C4CCCCN4C(=O)
    C5CCCN5C2=O)C)C; CCCC/C=C/C(=O)N[C@@H](C
    c1cc(F)cc(F)c1)C(=O)N[C@H]2COC(=O)[C@@H]
    3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]4
    CCCCN4C(=O)[C@@H]5CCCN5C2=O; CCCC/C=C/C(
    =O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2C
    OC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O
    )[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C;
    CCCCC=CC(=O)N[CH](Cc1cc(F)cc(F)c1)C(=O)
    N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C
    )NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O    		 N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide
    30341
    NWV
    CHEMBL4582670
    ZINC000001000907    		 1 C10 H11 N3 O2 InChI=1S/C10H11N3O2/c1-13
    -7-8(6-12-13)5-11-10(14)9
    -3-2-4-15-9/h2-4,6-7H,5H2
    ,1H3,(H,11,14);
    ZPCCCCZFCHPBOS-UHFFFAOYSA-N    		 Cn1cc(cn1)CNC(=O)c2ccco2; Cn1cc(CNC(=O)c
    2occc2)cn1; N(Cc1cn(C)nc1)C(=O)c2ccco2    		 N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
    30342
    NWW
    CHEMBL4778617
    ZINC000005163032    		 1 C10 H12 N6 O4 InChI=1S/C10H12N6O4/c11-7
    -3-9(14-1-13-7)16(2-15-3)
    10-5(18)4(17)6(20-10)8(12
    )19/h1-2,4-6,10,17-18H,(H
    2,12,19)(H2,11,13,14)/t4-
    ,5+,6-,10+/m0/s1;
    BLMHAOGGJQDPLX-LKCKTBJASA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)C(=O)N)O)O)N; NC(=O)[C@H]1O[C@H](
    [C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; NC(=O
    )[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc
    23; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)N)
    O)O)N    		 (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
    30343
    NWX
    CHEMBL2016761
    ZINC000084588056    		 1 C12 H16 N5 O13 P3 InChI=1S/C12H16N5O13P3/c1
    3-4-12(8-2-1-6-11(14)15-5
    -16-17(6)8)10(19)9(18)7(2
    8-12)3-27-32(23,24)30-33(
    25,26)29-31(20,21)22/h1-2
    ,5,7,9-10,18-19H,3H2,(H,2
    3,24)(H,25,26)(H2,14,15,1
    6)(H2,20,21,22)/t7-,9-,10
    -,12+/m1/s1;
    DFVPCNAMNAPBCX-LTGWCKQJSA-N    		 Nc1ncnn2c1ccc2[C@@]3(O[C@H](CO[P](O)(=O)
    O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
    )C#N; Nc1ncnn2c1ccc2[C]3(O[CH](CO[P](O)(
    =O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
    )C#N; c1cc(n2c1c(ncn2)N)C3(C(C(C(O3)COP(
    =O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N; c1cc(
    n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O
    3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate;
    Remdesivir triphosphate
    30344
    NWY
    ZINC000047556595    		 4 C12 H16 N2 O InChI=1S/C12H16N2O/c1-9-5
    -6-10(7-13-9)8-14-12(15)1
    1-3-2-4-11/h5-7,11H,2-4,8
    H2,1H3,(H,14,15);
    SQKAEGRLXBUQKF-UHFFFAOYSA-N    		 Cc1ccc(cn1)CNC(=O)C2CCC2; Cc1ccc(CNC(=O)
    C2CCC2)cn1; n2c(C)ccc(CNC(=O)C1CCC1)c2    		 N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide
    30345
    NWZ
    ZINC000257269302    		 1 C15 H21 N7 O4 InChI=1S/C15H21N7O4/c16-1
    2-8-13(19-5-18-12)22(6-20
    -8)15-10(24)9(23)11(26-15
    )14(25)21-7-1-3-17-4-2-7/
    h5-7,9-11,15,17,23-24H,1-
    4H2,(H,21,25)(H2,16,18,19
    )/t9-,10+,11-,15+/m0/s1;
    MPKBIMHULNDLPU-BQVMBELUSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O
    )C(=O)NC4CCNCC4; c1nc(c2c(n1)n(cn2)[C@H]
    3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CCNCC4)O
    )O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]([C@
    @H](O)[C@H]3O)C(=O)NC4CCNCC4; c1nc(c2c(n
    1)n(cn2)C3C(C(C(O3)C(=O)NC4CCNCC4)O)O)N    		 (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide
    30346
    NX0    		 2 C10 H12 N2 O2 InChI=1S/C10H12N2O2/c1-2-
    9(13)12-6-7-14-10-8(12)4-
    3-5-11-10/h3-5H,2,6-7H2,1
    H3;
    CLJYSIDDPHCCHD-UHFFFAOYSA-N    		 CCC(=O)N1CCOc2ncccc12; CCC(=O)N1CCOc2c1c
    ccn2    		 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one;
    1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor)
    30347
    NX1
    ZINC000095920679    		 1 C12 H8 Br Cl O2 S2 InChI=1S/C12H8BrClO2S2/c1
    3-8-5-7(1-2-9(8)14)6-18-1
    0-3-4-17-11(10)12(15)16/h
    1-5H,6H2,(H,15,16);
    IRIFYVKSSQVSCC-UHFFFAOYSA-N    		 O=C(O)c2sccc2SCc1cc(Br)c(Cl)cc1; c1cc(c(
    cc1CSc2ccsc2C(=O)O)Br)Cl; OC(=O)c1sccc1S
    Cc2ccc(Cl)c(Br)c2    		 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid
    30348
    NX2
    CHEMBL1910886
    ZINC000073129300    		 1 C13 H11 Cl2 N O3 S3 InChI=1S/C13H11Cl2NO3S3/c
    1-22(18,19)16-13(17)12-11
    (4-5-20-12)21-7-8-2-3-9(1
    4)10(15)6-8/h2-6H,7H2,1H3
    ,(H,16,17);
    WUCGCEYWGIIVMD-UHFFFAOYSA-N    		 O=S(=O)(NC(=O)c2sccc2SCc1cc(Cl)c(Cl)cc1)
    C; CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2
    )Cl)Cl; C[S](=O)(=O)NC(=O)c1sccc1SCc2ccc
    (Cl)c(Cl)c2    		 3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide
    30349
    NX3
    CHEMBL1910888
    ZINC000073129873    		 1 C18 H14 Cl2 N2 O3 S3 InChI=1S/C18H14Cl2N2O3S3/
    c19-14-5-4-11(8-15(14)20)
    10-27-16-6-7-26-17(16)18(
    23)22-28(24,25)13-3-1-2-1
    2(21)9-13/h1-9H,10,21H2,(
    H,22,23);
    FLQMGJTZJKTWPI-UHFFFAOYSA-N    		 c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3c
    cc(c(c3)Cl)Cl)N; O=S(=O)(c1cc(N)ccc1)NC(
    =O)c3sccc3SCc2cc(Cl)c(Cl)cc2; Nc1cccc(c1
    )[S](=O)(=O)NC(=O)c2sccc2SCc3ccc(Cl)c(Cl
    )c3    		 N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
    30350
    NX4
    CHEMBL1910889
    ZINC000073140965    		 1 C20 H15 Cl2 N O6 S3 InChI=1S/C20H15Cl2NO6S3/c
    1-29-16-5-3-12(9-13(16)20
    (25)26)32(27,28)23-19(24)
    18-17(6-7-30-18)31-10-11-
    2-4-14(21)15(22)8-11/h2-9
    H,10H2,1H3,(H,23,24)(H,25
    ,26);
    HBYORZQNJPQOQI-UHFFFAOYSA-N    		 O=C(O)c1cc(ccc1OC)S(=O)(=O)NC(=O)c3sccc3
    SCc2cc(Cl)c(Cl)cc2; COc1ccc(cc1C(=O)O)S(
    =O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl
    ; COc1ccc(cc1C(O)=O)[S](=O)(=O)NC(=O)c2s
    ccc2SCc3ccc(Cl)c(Cl)c3    		 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid
    30351
    NX5
    CHEMBL1910963
    ZINC000006884503    		 1 C14 H10 Cl2 O2 S InChI=1S/C14H10Cl2O2S/c15
    -11-6-5-9(7-12(11)16)8-19
    -13-4-2-1-3-10(13)14(17)1
    8/h1-7H,8H2,(H,17,18);
    FKRTWCFFXQWRCJ-UHFFFAOYSA-N    		 OC(=O)c1ccccc1SCc2ccc(Cl)c(Cl)c2; Clc1cc
    c(cc1Cl)CSc2ccccc2C(=O)O; c1ccc(c(c1)C(=
    O)O)SCc2ccc(c(c2)Cl)Cl    		 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid
    30352
    NX6
    CHEMBL1222275
    ZINC000001700285    		 7 C12 H13 N O6 InChI=1S/C12H13NO6/c14-10
    (15)6-9(11(16)17)13-12(18
    )19-7-8-4-2-1-3-5-8/h1-5,
    9H,6-7H2,(H,13,18)(H,14,1
    5)(H,16,17)/t9-/m0/s1;
    XYXYXSKSTZAEJW-VIFPVBQESA-N    		 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(O)=O; O=
    C(O)C(NC(=O)OCc1ccccc1)CC(=O)O; c1ccc(cc
    1)COC(=O)NC(CC(=O)O)C(=O)O; OC(=O)C[CH](
    NC(=O)OCc1ccccc1)C(O)=O; c1ccc(cc1)COC(=
    O)N[C@@H](CC(=O)O)C(=O)O    		 N-[(benzyloxy)carbonyl]-L-aspartic acid
    30353
    NX7
    CHEMBL1450678
    ZINC000000035148    		 4 C11 H11 F2 N O InChI=1S/C11H11F2NO/c12-8
    -4-3-5-9(13)10(8)11(15)14
    -6-1-2-7-14/h3-5H,1-2,6-7
    H2;
    WKDBMZQECSVNDS-UHFFFAOYSA-N    		 c1cc(c(c(c1)F)C(=O)N2CCCC2)F; Fc1cccc(F)
    c1C(=O)N2CCCC2; c1(cccc(c1C(=O)N2CCCC2)F
    )F    		 (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
    30354
    NX8
    CHEMBL5281978
    ZINC000257293238    		 1 C16 H23 N7 O4 InChI=1S/C16H23N7O4/c17-1
    3-9-14(21-6-20-13)23(7-22
    -9)16-11(25)10(24)12(27-1
    6)15(26)19-5-8-1-3-18-4-2
    -8/h6-8,10-12,16,18,24-25
    H,1-5H2,(H,19,26)(H2,17,2
    0,21)/t10-,11+,12-,16+/m0
    /s1;
    QORMXDVXCHKGRB-MEQWQQMJSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)C(=O)NCC4CCNCC4)O)O)N; Nc1ncnc2n(
    cnc12)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(
    =O)NCC4CCNCC4; c1nc(c2c(n1)n(cn2)C3C(C(C
    (O3)C(=O)NCC4CCNCC4)O)O)N; Nc1ncnc2n(cnc
    12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC4CCN
    CC4    		 (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide
    30355
    NX9    		 1 C11 H10 Cl N3 O InChI=1S/C11H10ClN3O/c12-
    9-3-1-2-8(4-9)5-11(16)15-
    10-6-13-14-7-10/h1-4,6-7H
    ,5H2,(H,13,14)(H,15,16);
    SDKQWVALTYIIDW-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)Nc2c[nH]nc2; O=C(Cc1
    cccc(Cl)c1)Nc1c[NH]nc1; Clc1cccc(CC(=O)N
    c2c[nH]nc2)c1    		 2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide
    30356
    NXA    		 2 C4 H7 N O4 InChI=1S/C4H7NO4/c1-2(3(6
    )7)5-4(8)9/h2,5H,1H3,(H,6
    ,7)(H,8,9)/t2-/m0/s1;
    JCVPWRQVQNVNGU-REOHCLBHSA-N    		 C[CH](NC(O)=O)C(O)=O; CC(C(=O)O)NC(=O)O;
    O=C(O)C(NC(=O)O)C; C[C@H](NC(O)=O)C(O)=
    O; C[C@@H](C(=O)O)NC(=O)O    		 N-CARBOXYALANINE
    30357
    NXB    		 1 C11 H16 N6 O3 InChI=1S/C11H16N6O3/c12-5
    -2-20-6(9(19)8(5)18)1-17-
    4-16-7-10(13)14-3-15-11(7
    )17/h3-6,8-9,18-19H,1-2,1
    2H2,(H2,13,14,15)/t5-,6-,
    8-,9+/m1/s1;
    YFNWLMALNRKCLH-GCXDCGAKSA-N    		 N[C@@H]1CO[C@H](Cn2cnc3c(N)ncnc23)[C@H](
    O)[C@@H]1O; N[CH]1CO[CH](Cn2cnc3c(N)ncnc
    23)[CH](O)[CH]1O; c1nc(c2c(n1)n(cn2)CC3C
    (C(C(CO3)N)O)O)N; c1nc(c2c(n1)n(cn2)C[C@
    @H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N    		 (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol
    30358
    NXC    		 4 C23 H33 Cl N3 O5 P Pt InChI=1S/C23H33N3O5P.ClH.
    Pt/c1-6-30-32(29,31-23-11
    -9-22(10-12-23)26(27)28)1
    3-7-8-19-14-20(17-24(2)3)
    16-21(15-19)18-25(4)5;;/h
    9-12,14-15H,6-8,13,17-18H
    2,1-5H3;1H;/q;;+1/p-1/t32
    -;;/m0../s1;
    LZKZTXFYNVLFNV-GDCSGTLQSA-M    		 CCO[P](=O)(CCCc1cc2CN(C)(C)|[Pt]3(Cl)|N(
    C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O;
    CCO[P@@](=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([
    N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O
    -]; CCOP(=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([
    N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O
    -]; CCO[P@@](=O)(CCCc1cc2CN(C)(C)|[Pt]3(
    Cl)|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-
    ])=O    		 (2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+);
    ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate
    30359
    NXD
    CHEMBL1234863
    ZINC000038191920    		 1 C14 H23 N3 O10 InChI=1S/C14H23N3O10/c1-5
    (18)17-8-6(19)3-14(26-2,1
    3(24)25)27-10(8)9(21)7(20
    )4-16-12(23)11(15)22/h6-1
    0,19-21H,3-4H2,1-2H3,(H2,
    15,22)(H,16,23)(H,17,18)(
    H,24,25)/t6-,7+,8+,9+,10+
    ,14+/m0/s1;
    KJWFCLCEUZUZFP-BYBVIHBISA-N    		 CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH]
    (O)[CH](O)CNC(=O)C(N)=O)C(O)=O; O=C(N)C(
    =O)NCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=
    O)C; CC(=O)NC1C(CC(OC1C(C(CNC(=O)C(=O)N)
    O)O)(C(=O)O)OC)O; CC(=O)N[C@@H]1[C@H](C[
    C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)C(=O)N)
    O)O)(C(=O)O)OC)O; CO[C@@]1(C[C@H](O)[C@@
    H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CNC
    (=O)C(N)=O)C(O)=O    		 methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
    METHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID;
    ALPHA METHYL -9-(AMINOOXALYL-AMINO)-9-DEOXYNEU5AC;
    OXAMIDO-NEU5AC;
    methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
    methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-D-galacto-non-2-ulosidonic acid;
    methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-galacto-non-2-ulosidonic acid
    30360
    NXE    		 4 C6 H5 F3 N2 O2 InChI=1S/C6H5F3N2O2/c1-3(
    12)10-5-2-4(11-13-5)6(7,8
    )9/h2H,1H3,(H,10,12);
    KKHMJANPVRFCAR-UHFFFAOYSA-N    		 CC(=O)Nc1cc(no1)C(F)(F)F; CC(=O)Nc1onc(c
    1)C(F)(F)F    		 ~{N}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide
    30361
    NXF
    CHEMBL5171494    		 1 C26 H22 N6 O2 S InChI=1S/C26H22N6O2S/c1-3
    2-24(25-18(11-27)15-5-2-3
    -7-22(15)35-25)19(13-29-3
    2)14-9-16-20(12-28)30-31-
    26(33)23(16)17(10-14)21-6
    -4-8-34-21/h2-3,5,7,9-10,
    13,21H,4,6,8,12,28H2,1H3,
    (H,31,33)/t21-/m1/s1;
    RXOUGZIIVASWRH-OAQYLSRUSA-N    		 Cn1ncc(c2cc([CH]3CCCO3)c4C(=O)NN=C(CN)c4
    c2)c1c5sc6ccccc6c5C#N; Cn1c(c(cn1)c2cc(c
    3c(c2)C(=NNC3=O)CN)[C@H]4CCCO4)c5c(c6ccc
    cc6s5)C#N; NCC1=NNC(=O)c2c1cc(cc2C1CCCO1
    )c1cnn(C)c1c1sc2ccccc2c1C#N; Cn1c(c(cn1)
    c2cc(c3c(c2)C(=NNC3=O)CN)C4CCCO4)c5c(c6c
    cccc6s5)C#N; Cn1ncc(c2cc([C@H]3CCCO3)c4C
    (=O)NN=C(CN)c4c2)c1c5sc6ccccc6c5C#N    		 (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile
    30362
    NXG
    ZINC000095921234    		 2 C19 H27 I N2 O2 InChI=1S/C19H27IN2O2/c1-3
    -22(4-2)17-7-9-21(10-8-17
    )14-16-12-15(6-5-11-23)13
    -18(20)19(16)24/h12-13,17
    ,23-24H,3-4,7-11,14H2,1-2
    H3;
    IDHNPNUDNMDQEU-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCO; C
    CN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO; Ic
    1c(O)c(cc(C#CCO)c1)CN2CCC(N(CC)CC)CC2    		 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL
    30363
    NXH
    CHEMBL274957    		 4 C9 H13 N3 O InChI=1S/C9H13N3O/c1-7(2)
    11-9(13)12-8-3-5-10-6-4-8
    /h3-7H,1-2H3,(H2,10,11,12
    ,13);
    JBFXVNVPMKLJIS-UHFFFAOYSA-N    		 CC(C)NC(=O)Nc1ccncc1 1-propan-2-yl-3-pyridin-4-yl-urea
    30364
    NXI    		 1 C11 H13 N3 O InChI=1S/C11H13N3O/c1-2-1
    1(15)12-6-8-3-4-10-9(5-8)
    7-13-14-10/h3-5,7H,2,6H2,
    1H3,(H,12,15)(H,13,14);
    QYEZEWINHDDRMN-UHFFFAOYSA-N    		 CCC(=O)NCc1ccc2[nH]ncc2c1; CCC(=O)NCc1cc
    c2c(c1)cn[nH]2    		 ~{N}-(1~{H}-indazol-5-ylmethyl)propanamide;
    N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor)
    30365
    NXJ
    ZINC000178912411    		 3 C12 H16 N2 O InChI=1S/C12H16N2O/c1-12(
    2)7-10(12)11(15)14(3)9-5-
    4-6-13-8-9/h4-6,8,10H,7H2
    ,1-3H3/t10-/m1/s1;
    TVMZQESCEGRMKC-SNVBAGLBSA-N    		 CC1(CC1C(=O)N(C)c2cccnc2)C; n2cccc(N(C)C
    (=O)C1C(C1)(C)C)c2; CN(C(=O)[CH]1CC1(C)C
    )c2cccnc2; CN(C(=O)[C@H]1CC1(C)C)c2cccnc
    2; CC1(C[C@@H]1C(=O)N(C)c2cccnc2)C    		 (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide
    30366
    NXK    		 1 C16 H15 B F N O6 InChI=1S/C16H15BFNO6/c18-
    12-4-5-13(14(7-12)25-9-15
    (20)21)16(22)19-8-10-2-1-
    3-11(6-10)17(23)24/h1-7,2
    3-24H,8-9H2,(H,19,22)(H,2
    0,21);
    ONNIFGAKNSCDLR-UHFFFAOYSA-N    		 OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c
    1; B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)
    F)(O)O    		 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid;
    2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid
    30367
    NXL
    ZINC000098209247    		 119 C7 H13 N3 O6 S InChI=1S/C7H13N3O6S/c8-7(
    12)6-2-1-5(3-10(6)4-11)9-
    16-17(13,14)15/h4-6,9H,1-
    3H2,(H2,8,12)(H,13,14,15)
    /t5-,6+/m1/s1;
    WJDGWXPPFHLLNL-RITPCOANSA-N    		 O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O; C1CC(
    N(CC1NOS(=O)(=O)O)C=O)C(=O)N; NC(=O)[CH]
    1CC[CH](CN1C=O)NO[S](O)(=O)=O; C1C[C@H](
    N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N; NC(=O
    )[C@@H]1CC[C@H](CN1C=O)NO[S](O)(=O)=O    		 (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide;
    avibactam, bound form;
    NXL104, bound form
    30368
    NXM
    ZINC000045893383    		 0 C11 H17 N3 O InChI=1S/C11H17N3O/c1-2-9
    (1)11-13-10(15-14-11)7-8-
    3-5-12-6-4-8/h8-9,12H,1-7
    H2;
    UMIHXIWIKFHJRW-UHFFFAOYSA-N    		 n2c(CC1CCNCC1)onc2C3CC3; C1CC1c2nc(on2)C
    C3CCNCC3; C1CC(CCN1)Cc2onc(n2)C3CC3    		 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
    30369
    NXN
    ZINC000005889266    		 2 C10 H11 Cl2 N O2 S InChI=1S/C10H11Cl2NO2S/c1
    1-7-1-2-9(8(12)5-7)15-6-1
    0(14)13-3-4-16/h1-2,5,16H
    ,3-4,6H2,(H,13,14);
    ZKLFUOFLXGWIIY-UHFFFAOYSA-N    		 SCCNC(=O)COc1ccc(Cl)cc1Cl; c1cc(c(cc1Cl)
    Cl)OCC(=O)NCCS; Clc1cc(Cl)ccc1OCC(=O)NCC
    S    		 2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE;
    DICA
    30370
    NXO    		 2 C19 H14 F N O3 S InChI=1S/C19H14FNO3S/c20-
    18-7-2-1-5-16(18)13-8-10-
    14(11-9-13)17-6-3-4-15-12
    -21-25(22,23)24-19(15)17/
    h1-11,21H,12H2;
    ICOQPOKTWUAKMT-UHFFFAOYSA-N    		 Fc1ccccc1c2ccc(cc2)c3cccc4CN[S](=O)(=O)O
    c34; c1ccc(c(c1)c2ccc(cc2)c3cccc4c3OS(=O
    )(=O)NC4)F    		 8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide
    30371
    NXP
    ZINC000098209248    		 1 C18 H18 N6 O InChI=1S/C18H18N6O/c1-11(
    23-24-18(19)20)12-6-8-13(
    9-7-12)22-17(25)15-10-21-
    16-5-3-2-4-14(15)16/h2-10
    ,21H,1H3,(H,22,25)(H4,19,
    20,24)/b23-11+;
    BTFCNWPQBVODIL-FOKLQQMPSA-N    		 O=C(c2c1ccccc1nc2)Nc3ccc(\C(=N\NC(=[N@H]
    )N)C)cc3; C/C(=N\NC(=N)N)/c1ccc(cc1)NC(=
    O)c2c[nH]c3c2cccc3; CC(=NNC(N)=N)c1ccc(N
    C(=O)c2c[nH]c3ccccc23)cc1; CC(=NNC(=N)N)
    c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3; CC(=N\
    NC(N)=N)/c1ccc(NC(=O)c2c[nH]c3ccccc23)cc
    1    		 N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE
    30372
    NXQ    		 1 C17 H17 F N O5 S InChI=1S/C17H17FNO5S/c1-2
    5(23)13-4-2-3-11(7-13)9-1
    9-17(22)14-6-5-12(18)8-15
    (14)24-10-16(20)21/h2-8,2
    3H,9-10H2,1H3,(H,19,22)(H
    ,20,21)/q-1;
    QWECZCOMCCHXGA-UHFFFAOYSA-N    		 C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O
    )F)O; C[S@-](O)c1cccc(CNC(=O)c2ccc(F)cc2
    OCC(O)=O)c1; C[S-](O)c1cccc(CNC(=O)c2ccc
    (F)cc2OCC(O)=O)c1    		 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid
    30373
    NXR    		 2 C32 H34 N4 O2 S InChI=1S/C32H34N4O2S/c37-
    31(28-16-9-18-34-23-28)36
    -29(20-25-10-3-1-4-11-25)
    24-39-30(21-26-12-5-2-6-1
    3-26)32(38)35-19-8-15-27-
    14-7-17-33-22-27/h1-7,9-1
    4,16-18,22-23,29-30H,8,15
    ,19-21,24H2,(H,35,38)(H,3
    6,37)/t29-,30+/m0/s1;
    CGXUDBVKADUBKA-XZWHSSHBSA-N    		 O=C(NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCC
    c1cccnc1)c1cccnc1; c1ccc(cc1)CC(CSC(Cc2c
    cccc2)C(=O)NCCCc3cccnc3)NC(=O)c4cccnc4;
    O=C(NCCCc1cccnc1)[CH](Cc2ccccc2)SC[CH](C
    c3ccccc3)NC(=O)c4cccnc4; O=C(NCCCc1cccnc
    1)[C@@H](Cc2ccccc2)SC[C@H](Cc3ccccc3)NC(
    =O)c4cccnc4; c1ccc(cc1)C[C@@H](CS[C@H](C
    c2ccccc2)C(=O)NCCCc3cccnc3)NC(=O)c4cccnc
    4    		 N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide
    30374
    NXS
    ZINC000000158945    		 2 C10 H15 N3 O InChI=1S/C10H15N3O/c14-8-
    9-2-6-13(7-3-9)10-11-4-1-
    5-12-10/h1,4-5,9,14H,2-3,
    6-8H2;
    ZUNGTEUNVMHDIX-UHFFFAOYSA-N    		 OCC1CCN(CC1)c2ncccn2; N2(c1ncccn1)CCC(CC
    2)CO; c1cnc(nc1)N2CCC(CC2)CO    		 [1-(pyrimidin-2-yl)piperidin-4-yl]methanol
    30375
    NXT
    ZINC000076595345    		 5 C9 H10 O3 InChI=1S/C9H10O3/c10-9(11
    )7-5-12-8-4-2-1-3-6(7)8/h
    5H,1-4H2,(H,10,11);
    QQPMDRGNNFKVEL-UHFFFAOYSA-N    		 c1c(c2c(o1)CCCC2)C(=O)O; OC(=O)c1coc2CCC
    Cc12    		 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
    30376
    NXU
    ZINC000098209249    		 2 C19 H22 N2 O5 S InChI=1S/C19H22N2O5S/c1-1
    9(2)15(18(25)26)21-17(27-
    19)12(9-22)20-16(24)14-11
    -6-4-3-5-10(11)7-8-13(14)
    23/h3-8,12,15,17,21-23H,9
    H2,1-2H3,(H,20,24)(H,25,2
    6)/t12-,15+,17-/m1/s1;
    BZLDRFAHCQLJIH-ISTRZQFTSA-N    		 CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@@H](CO)NC
    (=O)c2c(O)ccc3ccccc23; CC1([C@@H](N[C@H]
    (S1)[C@@H](CO)NC(=O)c2c3ccccc3ccc2O)C(=O
    )O)C; O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3
    c2ccccc2ccc3O; CC1(C(NC(S1)C(CO)NC(=O)c2
    c3ccccc3ccc2O)C(=O)O)C; CC1(C)S[CH](N[CH
    ]1C(O)=O)[CH](CO)NC(=O)c2c(O)ccc3ccccc23    		 (2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    30377
    NXV
    CHEMBL1910966
    ZINC000073139326    		 1 C18 H14 Cl2 O3 S InChI=1S/C18H14Cl2O3S/c19
    -15-7-5-13(9-16(15)20)11-
    24-17-10-12(3-1-2-8-21)4-
    6-14(17)18(22)23/h4-7,9-1
    0,21H,2,8,11H2,(H,22,23);
    LYKDQGOGGHKHLP-UHFFFAOYSA-N    		 Clc1ccc(cc1Cl)CSc2cc(C#CCCO)ccc2C(=O)O;
    c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl
    ; OCCC#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c
    2)c1    		 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid
    30378
    NXW
    ZINC000098209250    		 2 C27 H25 Cl2 N3 O3 S InChI=1S/C27H25Cl2N3O3S/c
    1-30-11-12-31-16-26(33)32
    -21-4-2-3-18(13-21)5-6-19
    -7-9-22(27(34)35)25(15-19
    )36-17-20-8-10-23(28)24(2
    9)14-20/h2-4,7-10,13-15,3
    0-31H,11-12,16-17H2,1H3,(
    H,32,33)(H,34,35);
    ZFBIDSCNZFTQMQ-UHFFFAOYSA-N    		 Clc1ccc(cc1Cl)CSc3cc(C#Cc2cccc(NC(=O)CNC
    CNC)c2)ccc3C(=O)O; CNCCNCC(=O)Nc1cccc(c1
    )C#Cc2ccc(C(O)=O)c(SCc3ccc(Cl)c(Cl)c3)c2
    ; CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SC
    c3ccc(c(c3)Cl)Cl)C(=O)O    		 2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({N-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid
    30379
    NXX
    DB04099
    ZINC000008216447    		 0 C21 H27 N6 O15 P2 InChI=1S/C21H26N6O15P2/c2
    2-17-12-18(24-7-23-17)27(
    8-25-12)20-16(31)14(29)11
    (41-20)6-39-44(36,37)42-4
    3(34,35)38-5-10-13(28)15(
    30)19(40-10)26-3-1-2-9(4-
    26)21(32)33/h1-4,7-8,10-1
    1,13-16,19-20,28-31H,5-6H
    2,(H4-,22,23,24,32,33,34,
    35,36,37)/p+1/t10-,11-,13
    -,14-,15-,16-,19-,20-/m1/
    s1;
    SENPVEZBRZQVST-HISDBWNOSA-O    		 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](
    O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C
    @H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O
    )O)C(=O)O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H]
    (CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H
    ]([C@H](O)[C@@H]4O)[n+]5cccc(c5)C(O)=O)[
    C@@H](O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3O[
    CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](
    [CH](O)[CH]4O)[n+]5cccc(c5)C(O)=O)[CH](O
    )[CH]3O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O
    )(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N
    )O)O)O)O)C(=O)O
    30380
    NXY
    CHEMBL1403981
    ZINC000003883136    		 4 C12 H8 Cl2 O2 S2 InChI=1S/C12H8Cl2O2S2/c13
    -8-2-1-7(5-9(8)14)6-18-10
    -3-4-17-11(10)12(15)16/h1
    -5H,6H2,(H,15,16);
    UCHDVTOVFHVWOS-UHFFFAOYSA-N    		 c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl; OC(=O)c
    1sccc1SCc2ccc(Cl)c(Cl)c2; O=C(O)c2sccc2S
    Cc1cc(Cl)c(Cl)cc1    		 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid
    30381
    NXZ
    ZINC000095920847    		 2 C19 H23 N5 O InChI=1S/C19H23N5O/c20-15
    -11-23(12-17(15)24-9-5-4-
    8-19(24)25)18-10-16(21-13
    -22-18)14-6-2-1-3-7-14/h1
    -3,6-7,10,13,15,17H,4-5,8
    -9,11-12,20H2/t15-,17-/m0
    /s1;
    FHAABBQZMYZFKY-RDJZCZTQSA-N    		 N[CH]1CN(C[CH]1N2CCCCC2=O)c3cc(ncn3)c4cc
    ccc4; O=C4N(C3CN(c2ncnc(c1ccccc1)c2)CC3N
    )CCCC4; N[C@H]1CN(C[C@@H]1N2CCCCC2=O)c3c
    c(ncn3)c4ccccc4; c1ccc(cc1)c2cc(ncn2)N3C
    C(C(C3)N4CCCCC4=O)N; c1ccc(cc1)c2cc(ncn2
    )N3C[C@@H]([C@H](C3)N4CCCCC4=O)N    		 1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
    30382
    NY0
    CHEMBL4784890
    ZINC000007452880    		 1 C11 H12 N2 O2 InChI=1S/C11H12N2O2/c1-2-
    11(15)13-7-10(14)12-8-5-3
    -4-6-9(8)13/h3-6H,2,7H2,1
    H3,(H,12,14);
    YCDLZRNCWDUXPK-UHFFFAOYSA-N    		 CCC(=O)N1CC(=Nc2ccccc12)O; CCC(=O)N1CC(=
    Nc2c1cccc2)O    		 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one;
    4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)
    30383
    NY1
    ZINC000048326014    		 1 C10 H14 N2 O2 S InChI=1S/C10H14N2O2S/c1-8
    -11-9(7-15-8)6-10(13)12-2
    -4-14-5-3-12/h7H,2-6H2,1H
    3;
    ZGUYZZRXRYNXNN-UHFFFAOYSA-N    		 Cc1scc(CC(=O)N2CCOCC2)n1; n2c(CC(N1CCOCC
    1)=O)csc2C; Cc1nc(cs1)CC(=O)N2CCOCC2    		 2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one
    30384
    NY2
    ZINC000004343613    		 8 C9 H5 Br N6 O3 InChI=1S/C9H5BrN6O3/c10-6
    -8-11-1-4(3-15(8)14-9(6)1
    7)7-5(16(18)19)2-12-13-7/
    h1-3H,(H,12,13)(H,14,17);
    GPUSMPJXAIFKFV-UHFFFAOYSA-N    		 O=[N+](c1c(nnc1)C2=CN3C(N=C2)=C(Br)C(=O)
    N3)[O-]; [O-][N+](=O)c1c[nH]nc1C2=CN3NC(
    =O)C(=C3N=C2)Br; c1c(c(n[nH]1)C2=CN3C(=C
    (C(=O)N3)Br)N=C2)[N+](=O)[O-]    		 3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one
    30385
    NY3
    CHEMBL4855805    		 2 C27 H30 N4 O4 InChI=1S/C27H30N4O4/c1-4-
    31(5-2)21-9-10-22-18(3)23
    (26(32)35-25(22)14-21)11-
    12-34-27(33)29-15-19-7-6-
    8-20(13-19)24-16-28-17-30
    -24/h6-10,13-14,16-17H,4-
    5,11-12,15H2,1-3H3,(H,28,
    30)(H,29,33);
    WFSFODPKYFDLDK-UHFFFAOYSA-N    		 CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)N
    Cc3cccc(c3)c4cnc[nH]4; CCN(CC)c1ccc2C(=C
    (CCOC(=O)NCc3cccc(c3)c4[nH]cnc4)C(=O)Oc2
    c1)C    		 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate
    30386
    NY4
    ZINC000020282200    		 2 C12 H16 N2 O InChI=1S/C12H16N2O/c1-8(1
    3)9-4-6-11(7-5-9)14-12(15
    )10-2-3-10/h4-8,10H,2-3,1
    3H2,1H3,(H,14,15)/t8-/m0/
    s1;
    CELFORIQAQLUCB-QMMMGPOBSA-N    		 C[C@H](N)c1ccc(NC(=O)C2CC2)cc1; NC(C)c1c
    cc(cc1)NC(=O)C2CC2; C[C@@H](c1ccc(cc1)NC
    (=O)C2CC2)N; CC(c1ccc(cc1)NC(=O)C2CC2)N;
    C[CH](N)c1ccc(NC(=O)C2CC2)cc1    		 N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide
    30387
    NY5
    ZINC000004219010    		 4 C11 H12 O2 InChI=1S/C11H12O2/c12-11(
    13)10-6-5-8-3-1-2-4-9(8)7
    -10/h5-7H,1-4H2,(H,12,13);
    RSWXAGBBPCRION-UHFFFAOYSA-N    		 c1cc2c(cc1C(=O)O)CCCC2; OC(=O)c1ccc2CCCC
    c2c1    		 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
    30388
    NY6
    CHEMBL4851449    		 2 C27 H32 N6 O5 InChI=1S/C27H32N6O5/c1-4-
    31(5-2)18-6-7-19-17(3)20(
    24(35)38-22(19)14-18)8-11
    -33-25(36)27(30-26(33)37)
    9-12-32(13-10-27)23(34)21
    -15-28-16-29-21/h6-7,14-1
    6H,4-5,8-13H2,1-3H3,(H,28
    ,29)(H,30,37);
    RSEDTPABRZYZKU-UHFFFAOYSA-N    		 CCN(CC)c1ccc2C(=C(CCN3C(=O)NC4(CCN(CC4)C
    (=O)c5[nH]cnc5)C3=O)C(=O)Oc2c1)C; CCN(CC
    )c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN
    (CC4)C(=O)c5cnc[nH]5)NC3=O    		 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
    30389
    NY7
    ZINC000004201706    		 4 C10 H14 N2 O2 InChI=1S/C10H14N2O2/c1-7-
    3-4-9(14-2)8(5-7)12-10(13
    )6-11/h3-5H,6,11H2,1-2H3,
    (H,12,13);
    SRFLDWOWAGQZAD-UHFFFAOYSA-N    		 Cc1ccc(c(c1)NC(=O)CN)OC; N(c1cc(ccc1OC)C
    )C(CN)=O; COc1ccc(C)cc1NC(=O)CN    		 N-(2-methoxy-5-methylphenyl)glycinamide
    30390
    NY8
    CHEMBL5178765    		 3 C31 H40 N6 O2 InChI=1S/C31H40N6O2/c1-36
    (2)15-7-14-32-31-34-27-20
    -29(39-4)28(38-3)19-26(27
    )30(35-31)33-25-12-16-37(
    17-13-25)21-22-10-11-23-8
    -5-6-9-24(23)18-22/h5-6,8
    -11,18-20,25H,7,12-17,21H
    2,1-4H3,(H2,32,33,34,35);
    UAQFERXHHSHKOB-UHFFFAOYSA-N    		 CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc
    4ccc5ccccc5c4)OC)OC; COc1cc2nc(NCCCN(C)C
    )nc(NC3CCN(CC3)Cc4ccc5ccccc5c4)c2cc1OC    		 ~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine
    30391
    NY9
    CHEMBL5203656    		 2 C23 H28 N4 O3 InChI=1S/C23H28N4O3/c1-4-
    27(5-2)18-8-9-19-16(3)20(
    22(28)30-21(19)13-18)10-1
    2-25-23(29)26-15-17-7-6-1
    1-24-14-17/h6-9,11,13-14H
    ,4-5,10,12,15H2,1-3H3,(H2
    ,25,26,29);
    WLXNTQQMVXKPGD-UHFFFAOYSA-N    		 CCN(CC)c1ccc2c(c1)OC(=O)C(CCNC(=O)NCc1cc
    cnc1)=C2C; CCN(CC)c1ccc2C(=C(CCNC(=O)NCc
    3cccnc3)C(=O)Oc2c1)C; CCN(CC)c1ccc2c(c1)
    OC(=O)C(=C2C)CCNC(=O)NCc3cccnc3    		 N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea
    30392
    NYA    		 1 C34 H50 O3 InChI=1S/C34H50O3/c1-21(6
    -11-32(37)34-18-24-13-25(
    19-34)15-26(14-24)20-34)2
    8-9-10-29-27(5-4-12-33(28
    ,29)3)8-7-23-16-30(35)22(
    2)31(36)17-23/h6-8,11,21,
    24-26,28-32,35-37H,2,4-5,
    9-10,12-20H2,1,3H3/b11-6+
    ,27-8+/t21-,24-,25+,26-,2
    8-,29+,30-,31-,32-,33-,34
    -/m1/s1;
    XEQPVMGAXBNZAH-XMMQUESESA-N    		 C[CH](C=C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH
    ]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C(=C)
    [CH](O)C6; C[C@H](/C=C/[C@@H](O)C12CC3CC
    (CC(C3)C1)C2)[C@H]4CC[C@H]5\C(CCC[C@]45C
    )=C\C=C/6C[C@@H](O)C(=C)[C@H](O)C/6; C[C
    @H](\C=C\[C@H](C12CC3CC(C1)CC(C3)C2)O)[C
    @H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H]
    (C(=C)[C@@H](C6)O)O)C; OC6/C(=C)C(O)CC(=
    C\C=C2\C1CCC(C1(C)CCC2)C(/C=C/C(O)C34CC5
    CC(C3)CC(C4)C5)C)\C6; CC(C=CC(C12CC3CC(C
    1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(C(=C
    )C(C6)O)O)C    		 (1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-hydroxy-1-methyl-4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
    30393
    NYB    		 0 C8 H17 N O2 S InChI=1S/C8H17NO2S/c1-4-6
    (2)12-5-7(9-3)8(10)11/h6-
    7,9H,4-5H2,1-3H3,(H,10,11
    )/t6-,7+/m1/s1;
    UXCFOODULRZHMV-RQJHMYQMSA-N    		 CC[C@@H](C)SC[C@H](NC)C(O)=O; CCC(C)SCC(
    C(=O)O)NC; CC[CH](C)SC[CH](NC)C(O)=O; O=
    C(O)C(NC)CSC(CC)C; CC[C@@H](C)SC[C@@H](C
    (=O)O)NC    		 N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE
    30394
    NYC    		 0 C17 H18 N4 O4 InChI=1S/C17H18N4O4/c1-9(
    22)15(18)16-20-13(17(25)2
    1(16)8-14(23)24)6-10-7-19
    -12-5-3-2-4-11(10)12/h2-7
    ,9,15,19,22H,8,18H2,1H3,(
    H,23,24)/b13-6-/t9-,15+/m
    1/s1;
    COQNVMWLDCUFMG-HNGJRXCUSA-N    		 C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3ccccc23)
    C(=O)N1CC(O)=O; C[C@@H](O)[C@H](N)C1=N\C
    (=C/c2c[nH]c3ccccc23)C(=O)N1CC(O)=O; O=C
    1N(C(=N/C1=C\c3c2ccccc2nc3)C(N)C(O)C)CC(
    =O)O; CC(C(C1=NC(=Cc2c[nH]c3c2cccc3)C(=O
    )N1CC(=O)O)N)O; C[C@H]([C@@H](C1=N/C(=C\
    c2c[nH]c3c2cccc3)/C(=O)N1CC(=O)O)N)O    		 [(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
    30395
    NYE
    CHEMBL1935084
    ZINC000000336737    		 1 C11 H9 N O2 InChI=1S/C11H9NO2/c12-10-
    6-8-4-2-1-3-7(8)5-9(10)11
    (13)14/h1-6H,12H2,(H,13,1
    4);
    XFXOLBNQYFRSLQ-UHFFFAOYSA-N    		 c1ccc2cc(c(cc2c1)C(=O)O)N; Nc1cc2ccccc2c
    c1C(O)=O    		 3-azanylnaphthalene-2-carboxylic acid
    30396
    NYF    		 2 C34 H37 N5 O3 S InChI=1S/C34H37N5O3S/c40-
    32(24-38-33(41)29-16-9-18
    -36-23-29)39-30(20-26-10-
    3-1-4-11-26)25-43-31(21-2
    7-12-5-2-6-13-27)34(42)37
    -19-8-15-28-14-7-17-35-22
    -28/h1-7,9-14,16-18,22-23
    ,30-31H,8,15,19-21,24-25H
    2,(H,37,42)(H,38,41)(H,39
    ,40)/t30-,31+/m0/s1;
    LKJAHHMUSXXSAP-IOWSJCHKSA-N    		 c1ccc(cc1)CC(CSC(Cc2ccccc2)C(=O)NCCCc3cc
    cnc3)NC(=O)CNC(=O)c4cccnc4; O=C(NCC(=O)N
    C(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1ccc
    nc1)c1cccnc1; O=C(CNC(=O)c1cccnc1)N[CH](
    CS[CH](Cc2ccccc2)C(=O)NCCCc3cccnc3)Cc4cc
    ccc4; O=C(CNC(=O)c1cccnc1)N[C@H](CS[C@H]
    (Cc2ccccc2)C(=O)NCCCc3cccnc3)Cc4ccccc4;
    c1ccc(cc1)C[C@@H](CS[C@H](Cc2ccccc2)C(=O
    )NCCCc3cccnc3)NC(=O)CNC(=O)c4cccnc4    		 N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide
    30397
    NYG
    ZINC000058638798    		 0 C15 H16 N4 O5 InChI=1S/C15H16N4O5/c16-1
    0(6-12(17)21)14-18-11(15(
    24)19(14)7-13(22)23)5-8-1
    -3-9(20)4-2-8/h1-5,10,20H
    ,6-7,16H2,(H2,17,21)(H,22
    ,23)/b11-5-/t10-/m0/s1;
    PASGKYDMGFODGK-QIMWGGGBSA-N    		 c1cc(ccc1C=C2C(=O)N(C(=N2)C(CC(=O)N)N)CC
    (=O)O)O; O=C(N)CC(N)C1=N/C(C(=O)N1CC(=O)
    O)=C\c2ccc(O)cc2; N[C@@H](CC(N)=O)C1=N\C
    (=C/c2ccc(O)cc2)C(=O)N1CC(O)=O; N[CH](CC
    (N)=O)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O
    ; c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(
    =O)N)N)CC(=O)O)O    		 [(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID;
    CHROMOPHORE (ASN-TYR-GLY)
    30398
    NYH
    ZINC000004528664    		 1 C6 H9 N O2 InChI=1S/C6H9NO2/c8-7(9)6
    -4-2-1-3-5-6/h4H,1-3,5H2;
    DJBRXNRKYAWTBL-UHFFFAOYSA-N    		 C1CCC(=CC1)[N+](=O)[O-]; [O-][N+](=O)C1=
    CCCCC1    		 1-nitrocyclohexene
    30399
    NYI
    CHEMBL5171496
    ZINC000036334279    		 0 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c1-2-
    11(15)13-7-10(14)12-8-5-3
    -4-6-9(8)13/h2-6H,1,7H2,(
    H,12,14);
    JQTQCSOPRIYFTH-UHFFFAOYSA-N    		 C=CC(=O)N1CC(=O)Nc2c1cccc2; C=CC(=O)N1CC
    (=O)Nc2ccccc12    		 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one
    30400
    NYJ
    ZINC000146075228    		 2 C17 H15 N O InChI=1S/C17H15NO/c1-11-7
    -6-10-14-15(11)12(2)16(18
    -17(14)19)13-8-4-3-5-9-13
    /h3-10H,1-2H3,(H,18,19);
    GRSACGLQNOTJPL-UHFFFAOYSA-N    		 O=C2c3cccc(c3C(=C(c1ccccc1)N2)C)C; Cc1cc
    cc2C(=O)NC(=C(C)c12)c3ccccc3; Cc1cccc2c1
    C(=C(NC2=O)c3ccccc3)C    		 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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