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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    31801 OE7
    CHEMBL4591345    		 9 C21 H16 Cl N5 O4 InChI=1S/C21H16ClN5O4/c22
    -13-5-6-14(20(30)31)15(8-
    13)25-18(28)11-3-1-10(2-4
    -11)7-12-9-24-17-16(12)19
    (29)27-21(23)26-17/h1-6,8
    -9H,7H2,(H,25,28)(H,30,31
    )(H4,23,24,26,27,29);
    OBHYLCXTIVOOGV-UHFFFAOYSA-N    		 N=2c1ncc(c1C(=O)NC=2N)Cc3ccc(cc3)C(=O)Nc
    4cc(Cl)ccc4C(O)=O; NC1=Nc2[nH]cc(Cc3ccc(
    cc3)C(=O)Nc4cc(Cl)ccc4C(O)=O)c2C(=O)N1;
    c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)
    Nc4cc(ccc4C(=O)O)Cl    		 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid
    31802 OE8
    CHEMBL4740565    		 1 C34 H37 F N6 O3 InChI=1S/C34H37FN6O3/c35-
    26-16-18-27(19-17-26)39-3
    4(44)30(20-13-23-7-3-1-4-
    8-23)40-32(42)25-14-11-24
    (12-15-25)21-37-33(43)29-
    22-38-41(31(29)36)28-9-5-
    2-6-10-28/h2,5-6,9-12,14-
    19,22-23,30H,1,3-4,7-8,13
    ,20-21,36H2,(H,37,43)(H,3
    9,44)(H,40,42)/t30-/m0/s1;
    DRRUHOOICOBDHW-PMERELPUSA-N    		 c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=
    O)NC(CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N; Nc1
    n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3
    CCCCC3)C(=O)Nc4ccc(F)cc4)c5ccccc5; c1ccc
    (cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C
    @@H](CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N; Nc1
    n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CC
    CCC3)C(=O)Nc4ccc(F)cc4)c5ccccc5    		 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide;
    SR348
    31803 OE9 8 C36 H36 N4 O5 Zn InChI=1S/C36H37N4O5.Zn/c1
    -9-20-16(3)23-13-25-18(5)
    22(11-12-29(41)44-7)33(39
    -25)31-32(36(43)45-8)35(4
    2)30-19(6)26(40-34(30)31)
    15-28-21(10-2)17(4)24(38-
    28)14-27(20)37-23;/h9,13-
    15,18,22,32H,1,10-12H2,2-
    8H3,(H-,37,38,39,40,42);/
    q-1;+2/p-1/t18-,22+,32+;/
    m0./s1;
    KSFOOHVZTTVNHW-PIFGRXHESA-M    		 O=C(OC)CCC1C(C)C2=Cc3c(C)c(C=C)c4C=C5C(C
    )=C(CC)C=6C=C7C(C)=C8C(=O)C(C9=C8N7[Zn](
    N2=C91)(n34)N5=6)C(=O)OC; CCC1=C(C2=Cc3c
    (c(c4n3[Zn]56[N]2=C1C=C7N5C8=C([C@H](C(=
    O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@
    H]9CCC(=O)OC)C)C)C=C)C; CCC1=C(C2=Cc3c(c
    (c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C
    7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OC)C)
    C)C=C)C; CCC1=C(C)C2=Cc3n4[Zn][N@@]5C(=C
    C1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7=
    NC(=Cc4c(C)c3C=C)[C@@H](C)[C@H]7CCC(=O)O
    C)C; CCC1=C(C)C2=Cc3n4[Zn][N]5C(=CC1=N2)
    C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4
    c(C)c3C=C)[CH](C)[CH]7CCC(=O)OC)C    		 [methyl 9-ethenyl-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc
    31804 OEA
    CHEMBL4476613    		 5 C22 H19 N5 O5 InChI=1S/C22H19N5O5/c1-32
    -14-6-7-15(21(30)31)16(9-
    14)25-19(28)12-4-2-11(3-5
    -12)8-13-10-24-18-17(13)2
    0(29)27-22(23)26-18/h2-7,
    9-10H,8H2,1H3,(H,25,28)(H
    ,30,31)(H4,23,24,26,27,29
    );
    IXAPCYKVLYGBPQ-UHFFFAOYSA-N    		 c1cc(ccc1Cc3c2C(=O)NC(=Nc2nc3)N)C(Nc4cc(
    OC)ccc4C(O)=O)=O; COc1ccc(c(c1)NC(=O)c2c
    cc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O;
    COc1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4
    N=C(N)NC(=O)c34)cc2)c1    		 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid
    31805 OEB
    CHEMBL4745922    		 1 C34 H39 N7 O3 InChI=1S/C34H39N7O3/c35-3
    1-29(23-39-41(31)28-9-5-2
    -6-10-28)33(43)37-21-25-1
    1-14-27(15-12-25)32(42)40
    -30(16-13-24-7-3-1-4-8-24
    )34(44)38-22-26-17-19-36-
    20-18-26/h2,5-6,9-12,14-1
    5,17-20,23-24,30H,1,3-4,7
    -8,13,16,21-22,35H2,(H,37
    ,43)(H,38,44)(H,40,42)/t3
    0-/m0/s1;
    SYJAXZVNUTWQPV-PMERELPUSA-N    		 c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=
    O)NC(CCC4CCCCC4)C(=O)NCc5ccncc5)N; Nc1n(
    ncc1C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CC
    CCC3)C(=O)NCc4ccncc4)c5ccccc5; c1ccc(cc1
    )n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H]
    (CCC4CCCCC4)C(=O)NCc5ccncc5)N; Nc1n(ncc1
    C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C
    (=O)NCc4ccncc4)c5ccccc5    		 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide;
    SR92
    31806 OEC 23 Ca Mn4 O4 InChI=1S/Ca.4Mn.4O;
    UFRGXNUNWYSFQE-UHFFFAOYSA-N    		 [Mn][O]12[Mn]O[Mn]O[Ca]1O[Mn]2; [O@]12[C
    a]3[O@]4[Mn]1O5[Mn]2O3([Mn]45)[Mn]; O12[
    Ca]3O4[Mn]1O5[Mn]2O3([Mn]45)[Mn]    		 OXYGEN EVOLVING SYSTEM
    31807 OED
    CHEMBL4445927    		 9 C23 H21 N5 O5 InChI=1S/C23H21N5O5/c1-33
    -16-7-6-14(9-18(29)30)17(
    10-16)26-21(31)13-4-2-12(
    3-5-13)8-15-11-25-20-19(1
    5)22(32)28-23(24)27-20/h2
    -7,10-11H,8-9H2,1H3,(H,26
    ,31)(H,29,30)(H4,24,25,27
    ,28,32);
    UOZOJZZNBFZRTI-UHFFFAOYSA-N    		 O=C4c3c(ncc3Cc1ccc(cc1)C(=O)Nc2cc(ccc2CC
    (O)=O)OC)N=C(N4)N; COc1ccc(c(c1)NC(=O)c2
    ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)
    O; COc1ccc(CC(O)=O)c(NC(=O)c2ccc(Cc3c[nH
    ]c4N=C(N)NC(=O)c34)cc2)c1    		 [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid
    31808 OEE 1 C11 H19 N O4 InChI=1S/C11H19NO4/c1-8(1
    4)6-11(5,7-13)12-9(15)16-
    10(2,3)4/h7,14H,1,6H2,2-5
    H3,(H,12,15)/t11-/m0/s1;
    DGQSAFHPNXJDHT-NSHDSACASA-N    		 CC(C)(C)OC(=O)NC(C)(CC(=C)O)C=O; CC(C)(C
    )OC(=O)N[C@@](C)(CC(O)=C)C=O; C[C@](CC(=
    C)O)(C=O)NC(=O)OC(C)(C)C; CC(C)(C)OC(=O)
    N[C](C)(CC(O)=C)C=O    		 ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
    31809 OEF
    CHEMBL289343
    ZINC000013517883    		 1 C18 H18 Br2 O4 InChI=1S/C18H18Br2O4/c1-1
    0(2)13-9-12(4-5-16(13)21)
    24-18-14(19)7-11(8-15(18)
    20)3-6-17(22)23/h4-5,7-10
    ,21H,3,6H2,1-2H3,(H,22,23
    );
    DGODJDXDANWOEP-UHFFFAOYSA-N    		 CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)B
    r; CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)c
    cc1O; Brc2cc(cc(Br)c2Oc1cc(c(O)cc1)C(C)C
    )CCC(=O)O    		 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID
    31810 OEG
    CHEMBL1234950
    ZINC000001648157    		 1 C4 H6 O5 InChI=1S/C4H6O5/c5-3(6)1-
    9-2-4(7)8/h1-2H2,(H,5,6)(
    H,7,8);
    QEVGZEDELICMKH-UHFFFAOYSA-N    		 OC(=O)COCC(O)=O; C(C(=O)O)OCC(=O)O; O=C(
    O)COCC(=O)O    		 2,2'-oxydiacetic acid
    31811 OEH 31 C35 H43 Cl N3 O6 InChI=1S/C35H42ClN3O6/c1-
    38(2)25-10-13-28-31(22-25
    )45-32-23-26(39(3)4)11-14
    -29(32)33(28)30-21-24(9-1
    2-27(30)35(41)42)34(40)37
    -16-18-44-20-19-43-17-8-6
    -5-7-15-36/h9-14,21-23H,5
    -8,15-20H2,1-4H3,(H-,37,4
    0,41,42)/p+1;
    YORHEDWUCXZZLS-UHFFFAOYSA-O    		 CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O
    )=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C)c1; C
    N(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2
    c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl    		 [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
    31812 OEI
    CHEMBL119890
    ZINC000001712826    		 1 C9 H13 N O InChI=1S/C9H13NO/c11-7-6-
    10-8-9-4-2-1-3-5-9/h1-5,1
    0-11H,6-8H2;
    XNIOWJUQPMKCIJ-UHFFFAOYSA-N    		 OCCNCc1ccccc1; c1ccc(cc1)CNCCO 2-[(phenylmethyl)amino]ethanol;
    2-(benzylamino)ethan-1-ol
    31813 OEJ
    CHEMBL4562561    		 7 C22 H17 N5 O6 InChI=1S/C22H17N5O6/c23-2
    2-26-17-16(19(29)27-22)13
    (9-24-17)7-10-1-3-11(4-2-
    10)18(28)25-15-8-12(20(30
    )31)5-6-14(15)21(32)33/h1
    -6,8-9H,7H2,(H,25,28)(H,3
    0,31)(H,32,33)(H4,23,24,2
    6,27,29);
    UKZJDHHDTGYQBX-UHFFFAOYSA-N    		 c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)
    Nc4cc(ccc4C(=O)O)C(=O)O; NC1=Nc2[nH]cc(C
    c3ccc(cc3)C(=O)Nc4cc(ccc4C(O)=O)C(O)=O)c
    2C(=O)N1; C(c1ccc(cc1)Cc2cnc3c2C(=O)NC(=
    N3)N)(Nc4cc(C(O)=O)ccc4C(O)=O)=O    		 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid
    31814 OEK 6 C38 H49 Cl N3 O5 InChI=1S/C38H48ClN3O5/c1-
    38(2)33-24-27(41(3)4)12-1
    5-30(33)35(31-16-13-28(42
    (5)6)25-34(31)38)32-23-26
    (11-14-29(32)37(44)45)36(
    43)40-18-20-47-22-21-46-1
    9-10-8-7-9-17-39/h11-16,2
    3-25H,7-10,17-22H2,1-6H3,
    (H-,40,43,44,45)/p+1;
    BFWDBISDEDTHTG-UHFFFAOYSA-O    		 CN(C)c1ccc2c(c1)C(C)(C)C3=CC(C=CC3=C2c4c
    c(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](
    C)C; CC1(c2cc(ccc2C(=C3C1=CC(=[N+](C)C)C
    =C3)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl
    )N(C)C)C    		 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid
    31815 OEL
    ZINC000263621086    		 2 C13 H20 F N4 O7 InChI=1S/C13H19FN4O7/c1-4
    (2)12(22)16-8-7(17-18-15)
    6(14)10(13(23)24)25-11(8)
    9(21)5(20)3-19/h4-8,10-11
    ,15,19-20H,3H2,1-2H3,(H-,
    16,22,23,24)/p+1/t5-,6-,7
    -,8+,10-,11+/m0/s1;
    UFSBEYSJWUBWLQ-JAYUSQFOSA-O    		 CC(C)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1
    C(=O)[C@H](CO)O)C(=O)O)F)N=[N+]=N; CC(C)
    C(=O)N[CH]1[CH](O[CH]([CH](F)[CH]1N=[N+]
    =N)C(O)=O)C(=O)[CH](O)CO; CC(C)C(=O)NC1C
    (C(C(OC1C(=O)C(CO)O)C(=O)O)F)N=[N+]=N; C
    C(C)C(=O)N[C@H]1[C@@H](O[C@@H]([C@@H](F)
    [C@@H]1N=[N+]=N)C(O)=O)C(=O)[C@@H](O)CO;
    FC1C(\N=[N+]=[N@H])C(NC(=O)C(C)C)C(OC1C
    (=O)O)C(=O)C(O)CO    		 (6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid
    31816 OEM
    CHEMBL291278
    ZINC000000901012    		 3 C5 H9 N O4 InChI=1S/C5H9NO4/c1-6-3(5
    (9)10)2-4(7)8/h3,6H,2H2,1
    H3,(H,7,8)(H,9,10)/t3-/m1
    /s1;
    HOKKHZGPKSLGJE-GSVOUGTGSA-N    		 CN[C@H](CC(=O)O)C(=O)O; CN[C@H](CC(O)=O)
    C(O)=O; CNC(CC(=O)O)C(=O)O; CN[CH](CC(O)
    =O)C(O)=O; O=C(O)C(NC)CC(=O)O    		 N-methyl-D-aspartic acid
    31817 OEN 1 C15 H21 N4 O5 S InChI=1S/C15H20N4O5S/c1-7
    -11(10(8(2)20)14(21)22)17
    -12(15(23)24)13(7)25-9-3-
    18-5-16-6-19(18)4-9/h5-10
    ,12-13,20H,3-4H2,1-2H3,(H
    -,21,22,23,24)/p+1/t7-,8-
    ,10-,12+,13+/m1/s1;
    FWQUIKBOZBJCAG-PAMYDDKSSA-O    		 CC1C(C(N=C1C(C(C)O)C(=O)O)C(=O)O)SC2Cn3c
    nc[n+]3C2; C[CH](O)[CH](C(O)=O)C1=N[CH](
    [CH](S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O;
    C[C@@H](O)[C@@H](C(O)=O)C1=N[C@@H]([C@@H
    ](S[C@H]2Cn3cnc[n+]3C2)[C@@H]1C)C(O)=O;
    C[C@H]1C(C(N=C1[C@@H]([C@@H](C)O)C(=O)O)
    C(=O)O)S[C@H]2Cn3cnc[n+]3C2    		 Biapenem Imine hydrolysis product
    31818 OEO 1 C24 H23 N3 O S InChI=1S/C24H23N3OS/c1-26
    (2)21-7-9-22(10-8-21)27(1
    6-18-11-12-29-17-18)24(28
    )13-20-15-25-14-19-5-3-4-
    6-23(19)20/h3-12,14-15,17
    H,13,16H2,1-2H3;
    NWMNITATBGAXEW-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3cncc4c
    3cccc4; CN(C)c1ccc(cc1)N(Cc2cscc2)C(=O)C
    c3cncc4ccccc34; O=C(Cc1cncc2ccccc21)N(Cc
    1ccsc1)c1ccc(cc1)N(C)C    		 N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide
    31819 OEP
    CHEMBL4451239    		 5 C23 H19 N5 O6 InChI=1S/C23H19N5O6/c24-2
    3-27-19-18(21(32)28-23)15
    (10-25-19)7-11-1-3-12(4-2
    -11)20(31)26-16-8-14(22(3
    3)34)6-5-13(16)9-17(29)30
    /h1-6,8,10H,7,9H2,(H,26,3
    1)(H,29,30)(H,33,34)(H4,2
    4,25,27,28,32);
    FDEJWGPULAIBRF-UHFFFAOYSA-N    		 c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)
    Nc4cc(ccc4CC(=O)O)C(=O)O; c14c(c(cn1)Cc2
    ccc(cc2)C(Nc3c(CC(O)=O)ccc(c3)C(O)=O)=O)
    C(=O)NC(=N4)N; NC1=Nc2[nH]cc(Cc3ccc(cc3)
    C(=O)Nc4cc(ccc4CC(O)=O)C(O)=O)c2C(=O)N1    		 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid
    31820 OEQ 1 C15 H21 N4 O5 S InChI=1S/C15H20N4O5S/c1-7
    -11(10(8(2)20)14(21)22)17
    -12(15(23)24)13(7)25-9-3-
    18-5-16-6-19(18)4-9/h5-11
    ,17,20H,3-4H2,1-2H3,(H-,2
    1,22,23,24)/p+1/t7-,8-,10
    -,11-/m1/s1;
    NNMZLHRXLIBHJJ-YJFSRANCSA-O    		 C[C@@H](O)[C@H]([C@@H]1NC(=C(S[C@@H]2Cn3
    cnc[n+]3C2)[C@@H]1C)C(O)=O)C(O)=O; CC1C(
    NC(=C1SC2Cn3cnc[n+]3C2)C(=O)O)C(C(C)O)C(
    =O)O; C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cn
    c[n+]3C2)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O
    ; C[CH](O)[CH]([CH]1NC(=C(S[CH]2Cn3cnc[n
    +]3C2)[CH]1C)C(O)=O)C(O)=O    		 Biapenem Enamine hydrolysis product;
    (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2 -a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid
    31821 OER 4 Mn4 O5 Sr InChI=1S/4Mn.5O.Sr/q;;;;;
    ;;-1;+1;+2;
    CSESTIVEXPKVIG-UHFFFAOYSA-N    		 O1[Mn][O-]2|3[Mn]4|O5[Sr++]2|O6[Mn]1|3[O
    +]4[Mn]56; O1[Mn][O-]23[Mn]14O5[Sr+2]2O6
    [Mn]5[O+]4[Mn]36    		 SR-MN4-O5 CLUSTER;
    Mn4SrOt5-cluster
    31822 OES
    DB02415
    ZINC000014880337    		 0 C10 H22 O2 S InChI=1S/C10H22O2S/c1-2-3
    -4-5-6-7-9-13(12)10-8-11/
    h11H,2-10H2,1H3/t13-/m1/s
    1;
    IRJUEMKMQDEOTQ-CYBMUJFWSA-N    		 O=S(CCCCCCCC)CCO; CCCCCCCC[S@@](=O)CCO;
    CCCCCCCC[S](=O)CCO; CCCCCCCCS(=O)CCO    		 N-OCTYL-2-HYDROXYETHYL SULFOXIDE
    31823 OET 0 C2 H5 InChI=1/C2H6/c1-2/h1-2H3;
    OTMSDBZUPAUEDD-UHFFFAOYAK    		 C[CH2]; [CH2]C; CC ETHYL GROUP
    31824 OEU
    CHEMBL1271031
    ZINC000064528240    		 4 C31 H36 Cl N3 O4 InChI=1S/C31H36ClN3O4/c1-
    21-10-6-7-13-24(21)17-19-
    28(37)35-29(22(2)36)31(39
    )34-27(18-16-23-11-4-3-5-
    12-23)30(38)33-20-25-14-8
    -9-15-26(25)32/h3-15,22,2
    7,29,36H,16-20H2,1-2H3,(H
    ,33,38)(H,34,39)(H,35,37)
    /t22-,27+,29+/m1/s1;
    PBDVPZRRBJJONI-RVBRUHEGSA-N    		 C[CH](O)[CH](NC(=O)CCc1ccccc1C)C(=O)N[CH
    ](CCc2ccccc2)C(=O)NCc3ccccc3Cl; Cc1ccccc
    1CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](
    CCc2ccccc2)C(=O)NCc3ccccc3Cl; C[C@@H](O)
    [C@H](NC(=O)CCc1ccccc1C)C(=O)N[C@@H](CCc
    2ccccc2)C(=O)NCc3ccccc3Cl; Clc1ccccc1CNC
    (=O)C(NC(=O)C(NC(=O)CCc2ccccc2C)C(O)C)CC
    c3ccccc3; Cc1ccccc1CCC(=O)NC(C(C)O)C(=O)
    NC(CCc2ccccc2)C(=O)NCc3ccccc3Cl    		 N-{(2S)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[3-(2-methylphenyl)propanoyl]-L-threoninamide
    31825 OEV
    CHEMBL1234952
    DB08321
    ZINC000014175217    		 1 C15 H29 N O4 InChI=1S/C15H29NO4/c1-2-3
    -4-5-6-7-8-16-12-9-11(10-
    17)13(18)15(20)14(12)19/h
    9,12-20H,2-8,10H2,1H3/t12
    -,13-,14+,15+/m1/s1;
    UPZUHYMBTUUPML-KBXIAJHMSA-N    		 OC1C(=CC(NCCCCCCCC)C(O)C1O)CO; CCCCCCCCN
    [CH]1C=C(CO)[CH](O)[CH](O)[CH]1O; CCCCCC
    CCN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1
    O; CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H
    ]1O)O)O)CO; CCCCCCCCNC1C=C(C(C(C1O)O)O)C
    O    		 (1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
    31826 OEW 1 C30 H43 N5 O7 InChI=1S/C30H43N5O7/c1-30
    (2,3)42-29(41)34-21-10-7-
    15-35(28(21)40)23(16-18-8
    -5-4-6-9-18)26(38)33-22(1
    7-19-13-14-31-25(19)37)24
    (36)27(39)32-20-11-12-20/
    h7,10,14-15,18-20,22-24,3
    6H,4-6,8-9,11-13,16-17H2,
    1-3H3,(H,32,39)(H,33,38)(
    H,34,41)/t19-,22-,23-,24+
    /m0/s1;
    SFLPCGWJLKRMNL-ZNEWLNCYSA-N    		 CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2C
    CCCC2)C(=O)N[C@@H](C[C@@H]3CC=NC3=O)[C@H
    ](C(=O)NC4CC4)O; CC(C)(C)OC(=O)NC1=CC=CN
    (C1=O)C(CC2CCCCC2)C(=O)NC(CC3CC=NC3=O)C(
    C(=O)NC4CC4)O; CC(C)(C)OC(=O)NC1=CC=CN([
    CH](CC2CCCCC2)C(=O)N[CH](C[CH]3CC=NC3=O)
    [CH](O)C(=O)NC4CC4)C1=O; CC(C)(C)OC(=O)N
    C1=CC=CN([C@@H](CC2CCCCC2)C(=O)N[C@@H](C
    [C@@H]3CC=NC3=O)[C@@H](O)C(=O)NC4CC4)C1=
    O    		 ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate;
    Tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
    31827 OEX 494 Ca Mn4 O5 InChI=1S/Ca.4Mn.5O;
    SEXWDHMBWJEXOJ-UHFFFAOYSA-N    		 O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn@]
    456; O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O
    [Mn]456; O1[Mn]O23[Mn]14O5[Ca]2O6[Mn]5O4
    [Mn]36; O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O
    @@]6[Mn]5[O@]4[Mn]36    		 CA-MN4-O5 CLUSTER
    31828 OEY 111 Ca Mn4 O6 InChI=1S/Ca.4Mn.O2.4O/c;;
    ;;;1-2;;;;/q;;;;+1;-1;;;;;
    VXLJVOKMVCJEPF-UHFFFAOYSA-N    		 O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3;
    O1[Mn]O[O]23[Ca]O[Mn]2(O[Mn]1)O[Mn]3; O1
    [Mn]O[O]23[Ca]O[Mn@]2(O[Mn]1)O[Mn]3    		 CA-MN4-O6 CLUSTER
    31829 OEZ 1 C21 H21 N3 O3 InChI=1S/C21H21N3O3/c1-13
    (25)18-12-17(20-22-9-4-10
    -24(18)20)16-11-14(7-8-19
    (16)27-2)21(26)23-15-5-3-
    6-15/h4,7-12,15H,3,5-6H2,
    1-2H3,(H,23,26);
    ZVDRWJICVNPHJL-UHFFFAOYSA-N    		 COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC
    4CCC4; CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)
    C(=O)NC4CCC4    		 ~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide
    31830 OF1 0 Fe H2 O InChI=1/Fe.H2O/h;1H2/q+2;
    /rFeH2O/c1-2/h2H2/q+2;
    ITHCMTBUBRIKKJ-VLFFPDBTAW    		 [OH2][Fe+2]; O|[Fe++] FERROUS ION, 1 WATER COORDINATED
    31831 OF2 0 Fe2 O InChI=1/2Fe.O/q2*+3;/rFe2
    O/c1-3-2/q+6;
    PNEJPKDVTTUZDF-XKASHAQCAK    		 O([Fe+3])[Fe+3]; [Fe+3]O[Fe+3] 2 FERRIC ION, 1 BRIDGING OXYGEN
    31832 OF3 0 Fe H2 O InChI=1/Fe.H2O/h;1H2/q+3;
    /rFeH2O/c1-2/h2H2/q+3;
    NJWYTAHMQKIIQQ-HKNNVPFLAS    		 [OH2][Fe+3]; O|[Fe+3] FERRIC ION, 1 WATER COORDINATED
    31833 OF4
    CHEMBL4570248    		 5 C22 H19 N5 O4 InChI=1S/C22H19N5O4/c23-2
    2-26-18-17(20(29)27-22)15
    (11-24-18)9-12-5-7-13(8-6
    -12)19(28)25-10-14-3-1-2-
    4-16(14)21(30)31/h1-8,11H
    ,9-10H2,(H,25,28)(H,30,31
    )(H4,23,24,26,27,29);
    BBGUOTHUKQSSGG-UHFFFAOYSA-N    		 c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3
    C(=O)NC(=N4)N)C(=O)O; NC1=Nc2[nH]cc(Cc3c
    cc(cc3)C(=O)NCc4ccccc4C(O)=O)c2C(=O)N1;
    c1cc(ccc1C(NCc2ccccc2C(O)=O)=O)Cc3c4c(nc
    3)N=C(NC4=O)N    		 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid
    31834 OF5 3 C17 H16 N2 O3 InChI=1S/C17H16N2O3/c1-11
    (20)15-10-14(17-18-7-4-8-
    19(15)17)13-9-12(21-2)5-6
    -16(13)22-3/h4-10H,1-3H3;
    VNCOLZXZXMUDIT-UHFFFAOYSA-N    		 COc1ccc(OC)c(c1)c2cc(n3cccnc23)C(C)=O; C
    C(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC    		 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone
    31835 OF6
    ZINC000012370330    		 1 C11 H11 Cl N2 S InChI=1S/C11H11ClN2S/c1-1
    3-6-10-7-15-11(14-10)8-3-
    2-4-9(12)5-8/h2-5,7,13H,6
    H2,1H3;
    YHQACXKNKUPSSA-UHFFFAOYSA-N    		 CNCc1csc(n1)c2cccc(Cl)c2; CNCc1csc(n1)c2
    cccc(c2)Cl    		 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine;
    1-(2-(3-chlorophenyl)thiazol-4-yl)-N-methylmethanamine
    31836 OF7
    CHEMBL4447254    		 9 C22 H19 N5 O4 InChI=1S/C22H19N5O4/c23-2
    2-26-19-18(21(31)27-22)15
    (11-24-19)9-12-5-7-13(8-6
    -12)20(30)25-16-4-2-1-3-1
    4(16)10-17(28)29/h1-8,11H
    ,9-10H2,(H,25,30)(H,28,29
    )(H4,23,24,26,27,31);
    NCEMLZMBZDJVMM-UHFFFAOYSA-N    		 NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4ccccc4C
    C(O)=O)c2C(=O)N1; c1ccc(c(c1)CC(=O)O)NC(
    =O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N;
    N1=C(NC(=O)c2c1ncc2Cc3ccc(cc3)C(=O)Nc4cc
    ccc4CC(=O)O)N    		 [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid
    31837 OF8 2 C14 H11 N3 O InChI=1S/C14H11N3O/c1-10(
    18)13-9-11(12-5-2-3-6-15-
    12)14-16-7-4-8-17(13)14/h
    2-9H,1H3;
    LNUJODOPWTZPCA-UHFFFAOYSA-N    		 CC(=O)c1cc(c2n1cccn2)c3ccccn3; CC(=O)c1c
    c(c2ccccn2)c3ncccn13    		 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
    31838 OF9 1 C28 H32 F4 N4 O4 InChI=1S/C28H32F4N4O4/c29
    -27(30)11-9-19(10-12-27)2
    6(40)36-17-28(31,32)15-22
    (36)24(38)35-21(14-18-6-2
    -1-3-7-18)23(37)25(39)34-
    16-20-8-4-5-13-33-20/h1-8
    ,13,19,21-23,37H,9-12,14-
    17H2,(H,34,39)(H,35,38)/t
    21-,22-,23+/m1/s1;
    QXLYQUMSFSBBGE-ZLNRFVROSA-N    		 O[C@@H]([C@@H](Cc1ccccc1)NC(=O)[C@H]2CC(
    F)(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4ccc
    cn4; c1ccc(cc1)CC(C(C(=O)NCc2ccccn2)O)NC
    (=O)C3CC(CN3C(=O)C4CCC(CC4)(F)F)(F)F; c1
    ccc(cc1)C[C@H]([C@@H](C(=O)NCc2ccccn2)O)
    NC(=O)[C@H]3CC(CN3C(=O)C4CCC(CC4)(F)F)(F
    )F; O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CC(F
    )(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4cccc
    n4    		 (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide
    31839 OFB
    ZINC000584905682    		 2 C24 H19 F O6 S InChI=1S/C24H19FO6S/c25-1
    6-2-1-3-19(12-16)31-32(28
    ,29)21-13-20-22(14-4-8-17
    (26)9-5-14)23(24(21)30-20
    )15-6-10-18(27)11-7-15/h1
    -12,20-21,24,26-27H,13H2/
    t20-,21+,24+/m0/s1;
    PJRYBICUCUOQQX-YZUZCNPQSA-N    		 Oc1ccc(cc1)C2=C([C@@H]3O[C@H]2C[C@H]3[S]
    (=O)(=O)Oc4cccc(F)c4)c5ccc(O)cc5; c1cc(c
    c(c1)F)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc
    4)O)c5ccc(cc5)O; Oc1ccc(cc1)C2=C([CH]3O[
    CH]2C[CH]3[S](=O)(=O)Oc4cccc(F)c4)c5ccc(
    O)cc5; c1(O)ccc(cc1)C2=C(C3OC2CC3S(=O)(O
    c4cccc(c4)F)=O)c5ccc(cc5)O; c1cc(cc(c1)F
    )OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)
    c4ccc(cc4)O)c5ccc(cc5)O    		 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
    31840 OFC 0 C9 H13 F N3 O7 P InChI=1S/C9H13FN3O7P/c10-
    6-7(14)4(3-19-21(16,17)18
    )20-8(6)13-2-1-5(11)12-9(
    13)15/h1-2,4,6-8,14H,3H2,
    (H2,11,12,15)(H2,16,17,18
    )/t4-,6-,7-,8-/m0/s1;
    KTAATIGPZHTGOP-PSQAKQOGSA-N    		 NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=
    O)[CH](O)[CH]2F; C1=CN(C(=O)N=C1N)C2C(C(
    C(O2)COP(=O)(O)O)O)F; O=P(O)(O)OCC1OC(N2
    C=CC(N)=NC2=O)C(F)C1O; C1=CN(C(=O)N=C1N)
    [C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O
    )O)F; NC1=NC(=O)N(C=C1)[C@H]2O[C@@H](CO[
    P](O)(O)=O)[C@H](O)[C@@H]2F    		 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one
    31841 OFD
    CHEMBL4579109    		 5 C23 H18 N6 O4 InChI=1S/C23H18N6O4/c24-1
    0-13-3-6-15(9-18(30)31)17
    (8-13)27-21(32)14-4-1-12(
    2-5-14)7-16-11-26-20-19(1
    6)22(33)29-23(25)28-20/h1
    -6,8,11H,7,9H2,(H,27,32)(
    H,30,31)(H4,25,26,28,29,3
    3);
    ZVNRPTCYZJBJNB-UHFFFAOYSA-N    		 O=C1c2c(N=C(N1)N)ncc2Cc3ccc(cc3)C(=O)Nc4
    cc(ccc4CC(=O)O)C#N; NC1=Nc2[nH]cc(Cc3ccc
    (cc3)C(=O)Nc4cc(ccc4CC(O)=O)C#N)c2C(=O)N
    1; c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(
    =O)Nc4cc(ccc4CC(=O)O)C#N    		 [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid
    31842 OFE 40 Fe O InChI=1S/Fe.O;
    UQSXHKLRYXJYBZ-UHFFFAOYSA-N    		 O=[Fe]; [Fe]=O Iron(II) oxide;
    ferrous oxide
    31843 OFF
    CHEMBL1234956
    DB08322
    ZINC000013339564    		 1 C23 H20 O10 InChI=1S/C23H20O10/c24-16
    -7-1-14(2-8-16)5-11-20(28
    )32-18(13-19(26)27)22(23(
    30)31)33-21(29)12-6-15-3-
    9-17(25)10-4-15/h1-12,18,
    22,24-25H,13H2,(H,26,27)(
    H,30,31)/b11-5+,12-6+/t18
    -,22+/m0/s1;
    VJLMRHSHSNLOGC-NOPZTHQXSA-N    		 O=C(O)C(OC(=O)\C=C\c1ccc(O)cc1)C(OC(=O)/
    C=C/c2ccc(O)cc2)CC(=O)O; OC(=O)C[C@H](OC
    (=O)/C=C/c1ccc(O)cc1)[C@@H](OC(=O)\C=C\c
    2ccc(O)cc2)C(O)=O; OC(=O)C[CH](OC(=O)C=C
    c1ccc(O)cc1)[CH](OC(=O)C=Cc2ccc(O)cc2)C(
    O)=O; c1cc(ccc1C=CC(=O)OC(CC(=O)O)C(C(=O
    )O)OC(=O)C=Cc2ccc(cc2)O)O; c1cc(ccc1\C=C
    \C(=O)O[C@@H](CC(=O)O)[C@H](C(=O)O)OC(=O
    )\C=C\c2ccc(cc2)O)O    		 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID;
    2,3-BIS((E)-3-(4-HYDROXYPHENYL)ACRYLOYLOXY)PENTANEDIOIC ACID
    31844 OFG
    CHEMBL3128074
    ZINC000095921382    		 1 C19 H18 F N7 O InChI=1S/C19H18FN7O/c1-11
    -16(10-23-26-11)13-7-18(1
    9(21)22-9-13)28-12(2)15-8
    -14(20)3-4-17(15)27-24-5-
    6-25-27/h3-10,12H,1-2H3,(
    H2,21,22)(H,23,26)/t12-/m
    1/s1;
    PYGCMVOPOMFFCX-GFCCVEGCSA-N    		 C[CH](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc
    3n4nccn4; C[C@@H](Oc1cc(cnc1N)c2c[nH]nc2
    C)c3cc(F)ccc3n4nccn4; Cc1c(c[nH]n1)c2cc(
    c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F; Cc1c(c[
    nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4n
    ccn4)F; Fc1cc(c(cc1)n2nccn2)C(Oc4cc(c3cn
    nc3C)cnc4N)C    		 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
    31845 OFH 5 C23 H24 Cl F6 N3 O5 S InChI=1S/C23H24ClF6N3O5S/
    c1-12(22(25,26)27)38-13-2
    -3-17(15(24)8-13)39(36,37
    )14-9-16(18(34)32-20(11-3
    1)4-5-20)33(10-14)19(35)2
    1(6-7-21)23(28,29)30/h2-3
    ,8,11-12,14,16,31H,4-7,9-
    10H2,1H3,(H,32,34)/b31-11
    +/t12-,14+,16-/m0/s1;
    FXRUMLCPKBCVCA-YDWYZIHQSA-N    		 [H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(
    =O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)
    O[C@@H](C)C(F)(F)F; CC(C(F)(F)F)Oc1ccc(c
    (c1)Cl)S(=O)(=O)C2CC(N(C2)C(=O)C3(CC3)C(
    F)(F)F)C(=O)NC4(CC4)C=N; C[C@H](Oc1ccc(c
    (Cl)c1)[S](=O)(=O)[C@@H]2C[C@H](N(C2)C(=
    O)C3(CC3)C(F)(F)F)C(=O)NC4(CC4)C=N)C(F)(
    F)F; O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C
    4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)(
    F)F)CC3)C4; C[CH](Oc1ccc(c(Cl)c1)[S](=O)
    (=O)[CH]2C[CH](N(C2)C(=O)C3(CC3)C(F)(F)F
    )C(=O)NC4(CC4)C=N)C(F)(F)F    		 (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide
    31846 OFI
    CHEMBL1082237
    ZINC000044460258    		 1 C17 H17 N3 O2 InChI=1S/C17H17N3O2/c1-2-
    3-16(22)18-17-14-9-6-12(1
    0-15(14)19-20-17)11-4-7-1
    3(21)8-5-11/h4-10,21H,2-3
    H2,1H3,(H2,18,19,20,22);
    VCIZMGNKKFEEHA-UHFFFAOYSA-N    		 CCCC(=O)Nc1n[nH]c2cc(ccc12)c3ccc(O)cc3;
    CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O    		 N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
    31847 OFJ
    CHEMBL4454174    		 5 C22 H18 N6 O5 InChI=1S/C22H18N6O5/c23-1
    7(29)12-5-6-14(21(32)33)1
    5(8-12)26-19(30)11-3-1-10
    (2-4-11)7-13-9-25-18-16(1
    3)20(31)28-22(24)27-18/h1
    -6,8-9H,7H2,(H2,23,29)(H,
    26,30)(H,32,33)(H4,24,25,
    27,28,31);
    ZFQOKUXSWWJOFS-UHFFFAOYSA-N    		 NC(=O)c1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH
    ]c4N=C(N)NC(=O)c34)cc2)c1; c14c(c(cn1)Cc
    2ccc(cc2)C(Nc3c(C(=O)O)ccc(C(N)=O)c3)=O)
    C(NC(=N4)N)=O; c1cc(ccc1Cc2c[nH]c3c2C(=O
    )NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N    		 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid
    31848 OFK 2 C15 H12 N2 O InChI=1S/C15H12N2O/c1-11(
    18)14-10-13(12-6-3-2-4-7-
    12)15-16-8-5-9-17(14)15/h
    2-10H,1H3;
    FPBCLTMMKANZAZ-UHFFFAOYSA-N    		 CC(=O)c1cc(c2n1cccn2)c3ccccc3; CC(=O)c1c
    c(c2ccccc2)c3ncccn13    		 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
    31849 OFL
    DB02179
    ZINC000002046924    		 1 C14 H10 F3 N O2 InChI=1S/C14H10F3NO2/c15-
    14(16,17)10-6-2-4-8-12(10
    )18-11-7-3-1-5-9(11)13(19
    )20/h1-8,18H,(H,19,20);
    ONKHJNFXJDEMNQ-UHFFFAOYSA-N    		 FC(F)(F)c2ccccc2Nc1c(C(=O)O)cccc1; c1ccc
    (c(c1)C(=O)O)Nc2ccccc2C(F)(F)F; OC(=O)c1
    ccccc1Nc2ccccc2C(F)(F)F    		 O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID
    31850 OFM
    ZINC000098209262    		 0 C24 H24 N4 O6 InChI=1S/C24H24N4O6/c1-14
    -21(27-24(33,34-14)19(25)
    12-15-5-3-2-4-6-15)22-26-
    18(23(32)28(22)13-20(30)3
    1)11-16-7-9-17(29)10-8-16
    /h2-11,14,19,29,33H,12-13
    ,25H2,1H3,(H,30,31)/b18-1
    1-/t14-,19+,24-/m1/s1;
    WUYHWZHRZZMOJP-MQDAGFNLSA-N    		 C[C@@H]1C(=N[C@](O1)([C@H](Cc2ccccc2)N)O
    )C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O;
    C[CH]1O[C](O)(N=C1C2=NC(=Cc3ccc(O)cc3)C(
    =O)N2CC(O)=O)[CH](N)Cc4ccccc4; CC1C(=NC(
    O1)(C(Cc2ccccc2)N)O)C3=NC(=Cc4ccc(cc4)O)
    C(=O)N3CC(=O)O; C[C@H]1O[C@@](O)(N=C1C2=
    N\C(=C/c3ccc(O)cc3)C(=O)N2CC(O)=O)[C@@H]
    (N)Cc4ccccc4; O=C(O)CN2C(=N/C(=C\c1ccc(O
    )cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4    		 [(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    31851 OFN 2 C41 H72 N7 O18 P3 S InChI=1S/C41H72N7O18P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-18-19-29(49)
    24-32(51)70-23-22-43-31(5
    0)20-21-44-39(54)36(53)41
    (2,3)26-63-69(60,61)66-68
    (58,59)62-25-30-35(65-67(
    55,56)57)34(52)40(64-30)4
    8-28-47-33-37(42)45-27-46
    -38(33)48/h27-28,30,34-36
    ,40,52-53H,4-26H2,1-3H3,(
    H,43,50)(H,44,54)(H,58,59
    )(H,60,61)(H2,42,45,46)(H
    2,55,56,57)/t30-,34-,35-,
    36+,40-/m1/s1;
    FYBVHNZJDVUVLJ-IBYUJNRCSA-N    		 CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCN
    C(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C
    (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCC
    CCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=
    O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)
    OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)
    =O)n2cnc3c(N)ncnc23; CCCCCCCCCCCCCCCCCC(
    =O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)
    CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH]
    (O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23; C
    CCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC
    (=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[
    C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc
    3N)O)OP(=O)(O)O)O    		 ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate
    31852 OFO 7 Fe2 H O2 InChI=1S/2Fe.H2O.O/h;;1H2
    ;/q;+1;;/p-1;
    HLBQEWFJZLSCMX-UHFFFAOYSA-M    		 O[Fe]O[Fe] HYDROXY DIIRON-OXO MOIETY
    31853 OFQ 2 C11 H19 N O InChI=1S/C11H19NO/c12-11(
    6-13)9-2-7-1-8(4-9)5-10(1
    1)3-7/h7-10,13H,1-6,12H2/
    t7-,8+,9-,10+,11-;
    JNAKWHJSIJOZFK-HQUNYVMJSA-N    		 NC1(CO)C2CC3CC(C2)CC1C3; C1C2CC3CC1CC(C2
    )C3(CO)N    		 (2-azanyl-2-adamantyl)methanol
    31854 OFR 2 C21 H23 N3 O4 InChI=1S/C21H23N3O4/c1-5-
    11-28-20(26)15-13(4)22-18
    -17(19(25)23-21(27)24(18)
    6-2)16(15)14-9-7-12(3)8-1
    0-14/h5,7-10,16,22H,1,6,1
    1H2,2-4H3,(H,23,25,27)/t1
    6-/m1/s1;
    WWSMMSQOAGMCFL-MRXNPFEDSA-N    		 O=C(OCC=C)C1=C(C)NC2=C(C1c1ccc(C)cc1)C(=
    O)NC(=O)N2CC; CCN1C2=C([C@@H](C(=C(N2)C)
    C(=O)OCC=C)c3ccc(cc3)C)C(=O)NC1=O; CCN1C
    (=O)NC(=O)C2=C1NC(=C([CH]2c3ccc(C)cc3)C(
    =O)OCC=C)C; CCN1C2=C(C(C(=C(N2)C)C(=O)OC
    C=C)c3ccc(cc3)C)C(=O)NC1=O; CCN1C(=O)NC(
    =O)C2=C1NC(=C([C@H]2c3ccc(C)cc3)C(=O)OCC
    =C)C    		 prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
    31855 OFT
    ZINC000095921240    		 2 C20 H20 N4 O4 S InChI=1S/C20H20N4O4S/c1-3
    -24(4-2)29(27,28)12-9-10-
    16-14(11-12)17(20(25)22-1
    6)19-18(23-26)13-7-5-6-8-
    15(13)21-19/h5-11,21,26H,
    3-4H2,1-2H3,(H,22,25)/b19
    -17-,23-18+;
    ZZYLNEHSVPINPK-LCLDVOFVSA-N    		 CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=C3C(=NO)c4
    ccccc4N3)C(=O)N2; CCN(CC)S(=O)(=O)c1ccc2
    c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2
    ; CCN(CC)[S](=O)(=O)c1ccc2NC(=O)C(=C3Nc4
    ccccc4C3=NO)c2c1; O=S(=O)(c1cc\2c(cc1)NC
    (=O)C/2=C4\C(=N\O)\c3ccccc3N4)N(CC)CC; C
    CN(CC)[S](=O)(=O)c1ccc2NC(=O)C(=C/3Nc4cc
    ccc4C/3=N/O)/c2c1    		 (3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
    31856 OFU 5 C23 H28 N7 O2 S InChI=1S/C23H27N7O2S/c1-1
    3(15-6-5-11-30(15)3)31-17
    -8-10-26-20(27-17)21-28-2
    2(32-29-21)23(2)9-4-7-16-
    18(23)14(12-24)19(25)33-1
    6/h8,10,13,15H,4-7,9,11,2
    5H2,1-3H3/p+1/t13-,15-,23
    -/m0/s1;
    MIUFORKWYHBPRW-HMFCALDFSA-O    		 CC(C1CCC[NH+]1C)Oc2ccnc(n2)c3nc(on3)C4(C
    CCc5c4c(c(s5)N)C#N)C; C[C@@H]([C@@H]1CCC
    [NH+]1C)Oc2ccnc(n2)c3nc(on3)[C@]4(CCCc5c
    4c(c(s5)N)C#N)C; C[C@H](Oc1ccnc(n1)c2noc
    (n2)[C@@]3(C)CCCc4sc(N)c(C#N)c34)[C@@H]5
    CCC[NH+]5C; C[CH](Oc1ccnc(n1)c2noc(n2)[C
    ]3(C)CCCc4sc(N)c(C#N)c34)[CH]5CCC[NH+]5C    		 (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
    31857 OFW 1 C26 H35 N5 O6 S InChI=1S/C26H35N5O6S/c1-2
    5(24(34)29-14-26(27)18-9-
    16-8-17(11-18)12-19(26)10
    -16)15-30(6-7-37-25)38(35
    ,36)20-2-3-21(28-13-20)31
    -22(32)4-5-23(31)33/h2-3,
    13,16-19H,4-12,14-15,27H2
    ,1H3,(H,29,34)/t16-,17+,1
    8-,19+,25-,26-/m1/s1;
    ATTLLTNWPUGOFW-CBZUIJCKSA-N    		 C[C@@]1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=
    O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N; C
    C1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC
    3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N; C[C]1(
    CN(CCO1)[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC3
    =O)C(=O)NCC4(N)C5CC6CC(C5)CC4C6; C[C@@]1
    (CN(CCO1)[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC
    3=O)C(=O)NCC4(N)C5CC6CC(C5)CC4C6    		 (2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide
    31858 OFX 1 C20 H21 N7 O InChI=1S/C20H21N7O/c1-25(
    2)16-7-9-17(10-8-16)26(13
    -15-11-12-21-22-15)20(28)
    14-27-19-6-4-3-5-18(19)23
    -24-27/h3-12H,13-14H2,1-2
    H3,(H,21,22);
    NAUKDTRKBNSCDS-UHFFFAOYSA-N    		 O=C(Cn1nnc2ccccc21)N(Cc1ccn[NH]1)c1ccc(c
    c1)N(C)C; CN(C)c1ccc(cc1)N(Cc2[nH]ncc2)C
    (=O)Cn3nnc4ccccc34; CN(C)c1ccc(cc1)N(Cc2
    ccn[nH]2)C(=O)Cn3c4ccccc4nn3    		 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide
    31859 OFZ 1 C14 H25 N3 InChI=1S/C14H25N3/c1-2-16
    -14(15)17-8-13-11-4-9-3-1
    0(6-11)7-12(13)5-9/h9-13H
    ,2-8H2,1H3,(H3,15,16,17)/
    t9-,10+,11-,12+,13-;
    GKPMCHKJTWWYLH-FOPUMGAHSA-N    		 CCNC(=N)NCC1C2CC3CC(C2)CC1C3; [H]/N=C(\N
    CC)/NCC1C2CC3CC(C2)CC1C3    		 1-(2-adamantylmethyl)-3-ethyl-guanidine
    31860 OG0 1 C22 H26 N6 O2 InChI=1S/C22H26N6O2/c1-23
    -20(29)14-8-10-16(11-9-14
    )25-22-24-13-15-12-18(21(
    30)27(2)3)28(19(15)26-22)
    17-6-4-5-7-17/h8-13,17H,4
    -7H2,1-3H3,(H,23,29)(H,24
    ,25,26);
    XIUNGGKWWZDBSL-UHFFFAOYSA-N    		 CNC(=O)c1ccc(cc1)Nc2ncc3cc(n(c3n2)C4CCCC
    4)C(=O)N(C)C; CNC(=O)c1ccc(cc1)Nc1ncc2cc
    (C(=O)N(C)C)n(c2n1)C1CCCC1; CNC(=O)c1ccc
    (Nc2ncc3cc(n(C4CCCC4)c3n2)C(=O)N(C)C)cc1    		 7-cyclopentyl-N,N-dimethyl-2-[4-(methylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    31861 OG1
    CHEMBL4565065    		 5 C22 H16 N6 O4 InChI=1S/C22H16N6O4/c23-9
    -12-3-6-15(21(31)32)16(8-
    12)26-19(29)13-4-1-11(2-5
    -13)7-14-10-25-18-17(14)2
    0(30)28-22(24)27-18/h1-6,
    8,10H,7H2,(H,26,29)(H,31,
    32)(H4,24,25,27,28,30);
    MEWIMDIPLNOYGN-UHFFFAOYSA-N    		 c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)
    Nc4cc(ccc4C(=O)O)C#N; c14c(c(cn1)Cc2ccc(
    cc2)C(Nc3cc(ccc3C(=O)O)C#N)=O)C(=O)NC(=N
    4)N; NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4cc
    (ccc4C(O)=O)C#N)c2C(=O)N1    		 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid
    31862 OG2 1 C13 H23 N3 InChI=1S/C13H23N3/c1-2-15
    -12(14)16-13-6-9-3-10(7-1
    3)5-11(4-9)8-13/h9-11H,2-
    8H2,1H3,(H3,14,15,16)/t9-
    ,10+,11-,13-;
    VGBFQSVFIIHEDN-DNSLJTBWSA-N    		 CCNC(=N)NC12CC3CC(C1)CC(C3)C2; [H]/N=C(\
    NCC)/NC12CC3CC(C1)CC(C3)C2; CCNC(=N)NC12
    CC3CC(CC(C3)C1)C2    		 1-(1-adamantyl)-3-ethyl-guanidine
    31863 OG3
    ZINC000002047916    		 1 C8 H10 Cl N InChI=1S/C8H10ClN/c1-6(10
    )7-2-4-8(9)5-3-7/h2-6H,10
    H2,1H3/t6-/m1/s1;
    PINPOEWMCLFRRB-ZCFIWIBFSA-N    		 C[C@H](c1ccc(cc1)Cl)N; C[C@@H](N)c1ccc(C
    l)cc1; C[CH](N)c1ccc(Cl)cc1; CC(c1ccc(cc
    1)Cl)N    		 (1~{R})-1-(4-chlorophenyl)ethanamine;
    (R)-1-(4-chlorophenyl)ethan-1-amine
    31864 OG4
    CHEMBL4465849    		 5 C23 H21 N5 O4 InChI=1S/C23H21N5O4/c24-2
    3-27-20-19(22(32)28-23)16
    (12-25-20)11-13-5-7-15(8-
    6-13)21(31)26-17-4-2-1-3-
    14(17)9-10-18(29)30/h1-8,
    12H,9-11H2,(H,26,31)(H,29
    ,30)(H4,24,25,27,28,32);
    PABYCMRDFQGQKT-UHFFFAOYSA-N    		 NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4ccccc4C
    CC(O)=O)c2C(=O)N1; c14c(C(=O)NC(=N1)N)c(
    Cc2ccc(cc2)C(Nc3ccccc3CCC(O)=O)=O)cn4; c
    1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[
    nH]c4c3C(=O)NC(=N4)N    		 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid
    31865 OG5 1 C29 H35 N5 O5 S InChI=1S/C29H35N5O5S/c30-
    29(21-11-18-10-19(13-21)1
    4-22(29)12-18)17-32-26(35
    )15-24(20-4-2-1-3-5-20)33
    -40(38,39)23-6-7-25(31-16
    -23)34-27(36)8-9-28(34)37
    /h1-7,16,18-19,21-22,24,3
    3H,8-15,17,30H2,(H,32,35)
    /t18-,19+,21-,22+,24-,29-
    /m1/s1;
    ZHYURJLGEWNOMP-HCCACUNUSA-N    		 NC1(CNC(=O)C[C@@H](N[S](=O)(=O)c2ccc(nc2
    )N3C(=O)CCC3=O)c4ccccc4)C5CC6CC(C5)CC1C6
    ; c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3
    )CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6
    =O; NC1(CNC(=O)C[CH](N[S](=O)(=O)c2ccc(n
    c2)N3C(=O)CCC3=O)c4ccccc4)C5CC6CC(C5)CC1
    C6; c1ccc(cc1)C(CC(=O)NCC2(C3CC4CC(C3)CC
    2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O    		 (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide
    31866 OG6
    ZINC000039953727    		 11 C5 H6 N2 O4 InChI=1S/C5H6N2O4/c8-3-1-
    2(4(9)10)6-5(11)7-3/h1,4,
    9-10H,(H2,6,7,8,11);
    DUGHQFVNXIWPEA-UHFFFAOYSA-N    		 OC(O)C1=CC(=O)NC(=O)N1; C1=C(NC(=O)NC1=O
    )C(O)O    		 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione;
    6-Formyl-uracil hydrate
    31867 OG7
    CHEMBL4536417    		 5 C21 H17 N5 O4 InChI=1S/C21H17N5O4/c22-2
    1-25-17-16(19(28)26-21)13
    (10-23-17)9-11-5-7-12(8-6
    -11)18(27)24-15-4-2-1-3-1
    4(15)20(29)30/h1-8,10H,9H
    2,(H,24,27)(H,29,30)(H4,2
    2,23,25,26,28);
    NQGAZNWSUPTLIO-UHFFFAOYSA-N    		 NC1=NC(=O)c2c(Cc3ccc(cc3)C(=O)Nc4ccccc4C
    (O)=O)c[nH]c2N1; c1ccc(c(c1)C(=O)O)NC(=O
    )c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N; c1
    cc(ccc1C(Nc2ccccc2C(=O)O)=O)Cc4c3c(NC(=N
    C3=O)N)nc4    		 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid
    31868 OG8 1 C12 H21 N3 InChI=1S/C12H21N3/c13-11(
    14)15-7-12-4-8-1-9(5-12)3
    -10(2-8)6-12/h8-10H,1-7H2
    ,(H4,13,14,15)/t8-,9+,10-
    ,12-;
    GAYYIZMRYZOIJI-GOCCLTDMSA-N    		 C1C2CC3CC1CC(C2)(C3)CNC(=N)N; [H]/N=C(\N
    )/NCC12CC3CC(C1)CC(C3)C2; NC(=N)NCC12CC3
    CC(CC(C3)C1)C2    		 1-(1-adamantylmethyl)guanidine
    31869 OG9
    ZINC000000395527    		 0 C18 H12 O2 InChI=1S/C18H12O2/c19-16(
    20)10-14-7-6-13-5-4-11-2-
    1-3-12-8-9-15(14)18(13)17
    (11)12/h1-9H,10H2,(H,19,2
    0);
    SDJCLYBBPUHKCD-UHFFFAOYSA-N    		 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CC(=O)O; O=C
    (O)Cc1ccc2ccc3cccc4ccc1c2c34; OC(=O)Cc1c
    cc2ccc3cccc4ccc1c2c34    		 (pyren-1-yl)acetic acid
    31870 OGA
    CHEMBL90852
    ZINC000001534133    		 20 C4 H5 N O5 InChI=1S/C4H5NO5/c6-2(7)1
    -5-3(8)4(9)10/h1H2,(H,5,8
    )(H,6,7)(H,9,10);
    BIMZLRFONYSTPT-UHFFFAOYSA-N    		 OC(=O)CNC(=O)C(O)=O; O=C(O)C(=O)NCC(=O)O
    ; C(C(=O)O)NC(=O)C(=O)O    		 N-OXALYLGLYCINE
    31871 OGB
    ZINC000001757562    		 1 C11 H9 N O2 InChI=1S/C11H9NO2/c1-14-1
    1(13)10-4-2-3-8-7-12-6-5-
    9(8)10/h2-7H,1H3;
    AYIKNXKAUAUIBW-UHFFFAOYSA-N    		 COC(=O)c1cccc2c1ccnc2; COC(=O)c1cccc2cnc
    cc12    		 methyl isoquinoline-5-carboxylate
    31872 OGC 0 C7 H11 N3 O3 InChI=1S/C7H11N3O3/c1-10-
    3-9-2-4(10)6(11)5(8)7(12)
    13/h2-3,5-6,11H,8H2,1H3,(
    H,12,13)/t5-,6-/m1/s1;
    JEWWRPRBMRIIAC-PHDIDXHHSA-N    		 Cn1cncc1[C@H]([C@H](C(=O)O)N)O; Cn1cncc1
    [C@@H](O)[C@@H](N)C(O)=O; Cn1cncc1[CH](O
    )[CH](N)C(O)=O; Cn1cncc1C(C(C(=O)O)N)O    		 gamma-N-methyl-beta-OH-histidine;
    (2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid;
    3-(1H-imidazol-3-ium-4-yl)-L-alanine
    31873 OGE
    ZINC000096013059    		 1 C8 H10 Br N3 O2 InChI=1S/C8H10BrN3O2/c9-6
    -1-2-7(11-5-6)12-8(14)10-
    3-4-13/h1-2,5,13H,3-4H2,(
    H2,10,11,12,14);
    DWHYNYBZZGQFNY-UHFFFAOYSA-N    		 OCCNC(=O)Nc1ccc(Br)cn1; c1cc(ncc1Br)NC(=
    O)NCCO    		 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea
    31874 OGF 1 C21 H20 N6 O2 S InChI=1S/C21H20N6O2S/c1-2
    2-21(29)23-16-6-8-17(9-7-
    16)26(12-15-10-11-30-14-1
    5)20(28)13-27-19-5-3-2-4-
    18(19)24-25-27/h2-11,14H,
    12-13H2,1H3,(H2,22,23,29);
    VEPQAUCCEYXBOH-UHFFFAOYSA-N    		 CNC(=O)Nc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc
    4ccccc34; O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)
    c1ccc(NC(=O)NC)cc1; CNC(=O)Nc1ccc(cc1)N(
    Cc2ccsc2)C(=O)Cn3c4ccccc4nn3    		 2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
    31875 OGG 0 C6 H12 N2 O4 InChI=1S/C6H12N2O4/c7-5(9
    )3-11-1-2-12-4-6(8)10/h1-
    4H2,(H2,7,9)(H2,8,10);
    XEXSGNBDGFXDDF-UHFFFAOYSA-N    		 C(COCC(=O)N)OCC(=O)N; NC(=O)COCCOCC(N)=O
    ; O=C(N)COCCOCC(=O)N    		 2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE
    31876 OGH 2 C21 H21 F N8 O InChI=1S/C21H21FN8O/c1-9-
    25-5-11(6-26-9)31-21-28-1
    9-16(12-3-10(22)4-15(24-2
    )18(12)27-19)20(29-21)30-
    7-13-14(8-30)17(13)23/h3-
    6,13-14,17,24H,7-8,23H2,1
    -2H3,(H,27,28,29)/t13-,14
    +,17+;
    GOOKXTQTAFDVNH-HALDLXJZSA-N    		 CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)nc(N
    5C[CH]6C(N)[CH]6C5)c23; Cc1ncc(cn1)Oc2nc
    3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5CC6C(C5)C
    6N; CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)
    nc(N5C[C@H]6C(N)[C@H]6C5)c23; Cc1ncc(cn1
    )Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C
    @@H]6[C@H](C5)C6N    		 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine
    31877 OGJ
    CHEMBL4447340
    DB14934    		 2 C28 H28 F N O4 InChI=1S/C28H28FNO4/c1-18
    -25-14-23(32)7-10-26(25)3
    4-28(27(18)21-3-2-4-22(31
    )13-21)20-5-8-24(9-6-20)3
    3-12-11-30-16-19(15-29)17
    -30/h2-10,13-14,19,28,31-
    32H,11-12,15-17H2,1H3/t28
    -/m0/s1;
    KJAAPZIFCQQQKX-NDEPHWFRSA-N    		 CC1=C([CH](Oc2ccc(O)cc12)c3ccc(OCCN4CC(C
    F)C4)cc3)c5cccc(O)c5; CC1=C([C@@H](Oc2c1
    cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(
    c5)O; CC1=C(C(Oc2c1cc(cc2)O)c3ccc(cc3)OC
    CN4CC(C4)CF)c5cccc(c5)O; C4(c2ccc(OCCN1C
    C(C1)CF)cc2)Oc3ccc(cc3C(=C4c5cccc(c5)O)C
    )O; CC1=C([C@@H](Oc2ccc(O)cc12)c3ccc(OCC
    N4CC(CF)C4)cc3)c5cccc(O)c5    		 (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol
    31878 OGK
    ZINC000058638469    		 16 C18 H27 N O4 InChI=1S/C18H27NO4/c1-3-1
    0-7-13-12(5-6-15(13)20)14
    (8-10)16(21)19-18(17(22)2
    3)9-11(18)4-2/h10-14H,3-9
    H2,1-2H3,(H,19,21)(H,22,2
    3)/t10-,11+,12+,13+,14+,1
    8+/m1/s1;
    YYTFHRRGIDEJIS-FNEQEMTHSA-N    		 O=C(NC1(C(=O)O)CC1CC)C3CC(CC)CC2C(=O)CCC
    23; CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C
    1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O; CC[CH]1
    C[CH]2[CH](CCC2=O)[CH](C1)C(=O)N[C]3(C[C
    H]3CC)C(O)=O; CC[C@@H]1C[C@H]2[C@H](CCC2
    =O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(O)=
    O; CCC1CC2C(CCC2=O)C(C1)C(=O)NC3(CC3CC)C
    (=O)O    		 (1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid;
    Coronatine
    31879 OGM 1 C10 H17 N3 O3 InChI=1S/C10H17N3O3/c1-16
    -10(15)11-5-3-2-4-9-12-6-
    8(7-14)13-9/h6,14H,2-5,7H
    2,1H3,(H,11,15)(H,12,13);
    FLDJBEVUBLZUEF-UHFFFAOYSA-N    		 COC(=O)NCCCCc1[nH]c(CO)cn1; COC(=O)NCCCC
    c1[nH]c(cn1)CO; COC(=O)NCCCCc1nc(CO)cn1    		 methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
    31880 OGN
    ZINC000044154749    		 2 C15 H19 N3 O7 InChI=1S/C15H19N3O7/c1-8(
    20)16-11-13(22)12(21)10(7
    -19)24-14(11)18-25-15(23)
    17-9-5-3-2-4-6-9/h2-6,10-
    13,19,21-22H,7H2,1H3,(H,1
    6,20)(H,17,23)/b18-14-/t1
    0-,11-,12+,13-/m1/s1;
    PBLNJFVQMUMOJY-UYZOWNTJSA-N    		 CC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O
    )O; CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C
    1=N\OC(=O)Nc2ccccc2)CO)O)O; CC(=O)N[CH]1
    [CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2cccc
    c2; O=C(O\N=C1/OC(CO)C(O)C(O)C1NC(=O)C)N
    c2ccccc2; CC(=O)N[C@@H]\1[C@@H](O)[C@@H]
    (O)[C@@H](CO)OC\1=N\OC(=O)Nc2ccccc2    		 [(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate;
    Gal-PUGNAc
    31881 OGO 1 C20 H18 N2 O4 InChI=1S/C20H18N2O4/c1-25
    -17-8-4-5-9-18(17)26-13-1
    1-22(12-13)20(24)15-10-19
    (23)21-16-7-3-2-6-14(15)1
    6/h2-10,13H,11-12H2,1H3,(
    H,21,23);
    CEVTZHLIFCWJPO-UHFFFAOYSA-N    		 COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4cccc
    c34; COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc
    4c3cccc4; O=C(C1=CC(=O)Nc2ccccc21)N1CC(O
    c2ccccc2OC)C1    		 4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
    31882 OGQ 1 C33 H32 N3 O4 InChI=1S/C33H31N3O4/c1-20
    -6-8-21(9-7-20)19-34-32(3
    7)22-10-13-25(33(38)39)28
    (16-22)31-26-14-11-23(35(
    2)3)17-29(26)40-30-18-24(
    36(4)5)12-15-27(30)31/h6-
    18H,19H2,1-5H3,(H-,34,37,
    38,39)/p+1;
    VRTFWVCUZQBQCQ-UHFFFAOYSA-O    		 CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O
    )=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1; Cc1
    ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+
    ](C)C)C=C4Oc5c3ccc(c5)N(C)C)C(=O)O    		 [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
    31883 OGR 1 C21 H25 N7 O2 InChI=1S/C21H25N7O2/c1-22
    -19(29)13-8-9-17(23-11-13
    )25-21-24-12-14-10-16(20(
    30)27(2)3)28(18(14)26-21)
    15-6-4-5-7-15/h8-12,15H,4
    -7H2,1-3H3,(H,22,29)(H,23
    ,24,25,26);
    ZWAGHYMVHPAUMT-UHFFFAOYSA-N    		 CNC(=O)c1ccc(Nc2ncc3cc(n(C4CCCC4)c3n2)C(
    =O)N(C)C)nc1; CNC(=O)c1ccc(nc1)Nc1ncc2cc
    (C(=O)N(C)C)n(c2n1)C1CCCC1; CNC(=O)c1ccc
    (nc1)Nc2ncc3cc(n(c3n2)C4CCCC4)C(=O)N(C)C    		 7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    31884 OGS
    CHEMBL4086163    		 2 C20 H32 O9 S InChI=1S/C20H32O9S/c1-2-3
    -4-5-6-7-8-14-9-11-15(12-
    10-14)28-20-19(23)18(22)1
    7(21)16(29-20)13-27-30(24
    ,25)26/h9-12,16-23H,2-8,1
    3H2,1H3,(H,24,25,26)/t16-
    ,17-,18+,19-,20+/m1/s1;
    YVWGSDRSYRDYCF-OBKDMQGPSA-N    		 C2(C(O)C(O)C(Oc1ccc(cc1)CCCCCCCC)OC2COS(
    =O)(O)=O)O; CCCCCCCCc1ccc(O[CH]2O[CH](CO
    [S](O)(=O)=O)[CH](O)[CH](O)[CH]2O)cc1; C
    CCCCCCCc1ccc(O[C@H]2O[C@H](CO[S](O)(=O)=
    O)[C@@H](O)[C@H](O)[C@H]2O)cc1; CCCCCCCC
    c1ccc(cc1)OC2C(C(C(C(O2)COS(=O)(=O)O)O)O
    )O; CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@
    H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O    		 4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside
    31885 OGT 0 C8 H16 O6 InChI=1S/C8H16O6/c1-2-13-
    8-7(12)6(11)5(10)4(3-9)14
    -8/h4-12H,2-3H2,1H3;
    WYUFTYLVLQZQNH-UHFFFAOYSA-N    		 CCOC1C(C(C(C(O1)CO)O)O)O; CCOC1OC(CO)C(O
    )C(O)C1O; CCO[C@@H]1[C@@H]([C@@H]([C@@H]
    ([C@H](O1)CO)O)O)O    		 2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
    31886 OGU
    ZINC000001695856    		 0 C4 H8 O4 InChI=1S/C4H8O4/c1-2(5)3(
    6)4(7)8/h2-3,5-6H,1H3,(H,
    7,8)/t2-,3+/m0/s1;
    LOUGYXZSURQALL-STHAYSLISA-N    		 C[C@H](O)[C@@H](O)C(O)=O; CC(C(C(=O)O)O)
    O; C[C@@H]([C@H](C(=O)O)O)O; C[CH](O)[CH
    ](O)C(O)=O    		 2,3-diOH-butyric acid;
    (2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid;
    (2R,3S)-2,3-dihydroxybutyric acid
    31887 OGV 1 C14 H11 Cl N4 O InChI=1S/C14H11ClN4O/c15-
    11-5-3-4-10(8-11)9-13(20)
    16-14-18-17-12-6-1-2-7-19
    (12)14/h1-8H,9H2,(H,16,18
    ,20);
    PICHRHZICCXQLR-UHFFFAOYSA-N    		 Clc1cccc(c1)CC(=O)Nc1nnc2ccccn21; c1ccn2
    c(c1)nnc2NC(=O)Cc3cccc(c3)Cl; Clc1cccc(C
    C(=O)Nc2nnc3ccccn23)c1    		 2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
    31888 OGX
    ZINC000058649475    		 0 C12 H19 N6 O7 P S InChI=1S/C12H19N6O7PS/c13
    -11-16-9-8(10(20)17-11)15
    -12(21)18(9)7-3-5(19)6(25
    -7)4-24-26(22,23)14-1-2-2
    7/h5-7,19,27H,1-4H2,(H,15
    ,21)(H2,14,22,23)(H3,13,1
    6,17,20)/t5-,6+,7+/m0/s1;
    QTNBODRGZGXUEH-RRKCRQDMSA-N    		 NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](
    CO[P](O)(=O)NCCS)O3)C(=O)N1; C1[C@@H]([C
    @H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO
    [P@](=O)(NCCS)O)O; NC1=NC2=C(NC(=O)N2[CH
    ]3C[CH](O)[CH](CO[P](O)(=O)NCCS)O3)C(=O)
    N1; C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)
    COP(=O)(NCCS)O)O; O=P(O)(OCC3OC(N2C(=O)N
    C1=C2N=C(N)NC1=O)CC3O)NCCS    		 2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
    31889 OGY 4 C13 H16 N2 O InChI=1S/C13H16N2O/c16-10
    -12-9-14-13(15-12)8-4-7-1
    1-5-2-1-3-6-11/h1-3,5-6,9
    ,16H,4,7-8,10H2,(H,14,15);
    YJBVUMXRLPWRCM-UHFFFAOYSA-N    		 c1ccc(cc1)CCCc2[nH]cc(n2)CO; OCc1c[nH]c(
    CCCc2ccccc2)n1; c1(ccccc1)CCCc2ncc(CO)n2    		 [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol
    31890 OGZ
    CHEMBL13024
    ZINC000001841067    		 0 C8 H8 F3 N InChI=1S/C8H8F3N/c9-8(10,
    11)7-3-1-2-6(4-7)5-12/h1-
    4H,5,12H2;
    YKNZTUQUXUXTLE-UHFFFAOYSA-N    		 c1cc(cc(c1)C(F)(F)F)CN; NCc1cccc(c1)C(F)
    (F)F    		 [3-(trifluoromethyl)phenyl]methanamine
    31891 OH
    DB14522    		 10 H O InChI=1S/H2O/h1H2/p-1;
    XLYOFNOQVPJJNP-UHFFFAOYSA-M    		 [OH-] HYDROXIDE ION
    31892 OH0 3 C10 H19 N O4 InChI=1S/C10H19NO4/c1-2-3
    -4-5-6-9(12)11(15)8-7-10(
    13)14/h15H,2-8H2,1H3,(H,1
    3,14);
    DOYDHAWEPMQVFZ-UHFFFAOYSA-N    		 CCCCCCC(=O)N(O)CCC(O)=O; CCCCCCC(=O)N(CC
    C(=O)O)O; O=C(O)CCN(O)C(=O)CCCCCC    		 N-heptanoyl-N-hydroxy-beta-alanine
    31893 OH1 2 C15 H19 N3 O2 InChI=1S/C15H19N3O2/c19-1
    1-13-10-17-14(18-13)8-4-5
    -9-16-15(20)12-6-2-1-3-7-
    12/h1-3,6-7,10,19H,4-5,8-
    9,11H2,(H,16,20)(H,17,18);
    JCUWYBMNDMMIAC-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO; OCc1
    c[nH]c(CCCCNC(=O)c2ccccc2)n1; C(NC(c1ccc
    cc1)=O)CCCc2ncc(CO)n2    		 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide
    31894 OH4 1 C14 H18 N2 O2 InChI=1S/C14H18N2O2/c1-18
    -13(11-5-3-2-4-6-11)7-8-1
    4-15-9-12(10-17)16-14/h2-
    6,9,13,17H,7-8,10H2,1H3,(
    H,15,16)/t13-/m0/s1;
    CXHFIZNFHVDWKU-ZDUSSCGKSA-N    		 CO[CH](CCc1[nH]cc(CO)n1)c2ccccc2; CO[C@@
    H](CCc1[nH]cc(CO)n1)c2ccccc2; COC(CCc1[n
    H]cc(n1)CO)c2ccccc2; n2c(CCC(c1ccccc1)OC
    )nc(c2)CO; CO[C@@H](CCc1[nH]cc(n1)CO)c2c
    cccc2    		 {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
    31895 OH5 1 C12 H17 N O2 InChI=1S/C12H17NO2/c1-9(1
    2(14)15)7-11(13)8-10-5-3-
    2-4-6-10/h2-6,9,11H,7-8,1
    3H2,1H3,(H,14,15)/t9-,11+
    /m0/s1;
    TVHNWAKCVXFPNB-GXSJLCMTSA-N    		 CC(CC(Cc1ccccc1)N)C(=O)O; C[CH](C[CH](N)
    Cc1ccccc1)C(O)=O; C[C@@H](C[C@H](Cc1cccc
    c1)N)C(=O)O; C[C@@H](C[C@@H](N)Cc1ccccc1
    )C(O)=O    		 (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid
    31896 OH6 1 C37 H64 N7 O17 P3 S InChI=1S/C37H64N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-28(46)65-21-
    20-39-27(45)18-19-40-35(4
    9)32(48)37(2,3)23-58-64(5
    5,56)61-63(53,54)57-22-26
    -31(60-62(50,51)52)30(47)
    36(59-26)44-25-43-29-33(3
    8)41-24-42-34(29)44/h9-10
    ,24-26,30-32,36,47-48H,4-
    8,11-23H2,1-3H3,(H,39,45)
    (H,40,49)(H,53,54)(H,55,5
    6)(H2,38,41,42)(H2,50,51,
    52)/b10-9-/t26-,30-,31+,3
    2+,36-/m1/s1;
    QBYOCCWNZAOZTL-SDUGNUESSA-N    		 CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C
    H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH
    ]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c
    (N)ncnc23; CCCCCC\C=C/CCCCCCCC(=O)SCCNC(
    =O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[
    P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@H]1O[
    P](O)(O)=O)n2cnc3c(N)ncnc23; CCCCCC\C=C/
    CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)
    COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc
    32)C(O)C1OP(=O)(O)O; CCCCCC/C=C\CCCCCCCC
    (=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=
    O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@H]([C@@
    H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCC
    CCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C
    )(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cn
    c3c2ncnc3N)O)OP(=O)(O)O)O    		 ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{Z})-hexadec-9-enethioate;
    Palmitoleoyl-CoA
    31897 OH7 2 C10 H17 N3 O2 InChI=1S/C10H17N3O2/c1-8(
    15)11-5-3-2-4-10-12-6-9(7
    -14)13-10/h6,14H,2-5,7H2,
    1H3,(H,11,15)(H,12,13);
    RGIIKOKBGRWBCV-UHFFFAOYSA-N    		 CC(=O)NCCCCc1[nH]cc(CO)n1; CC(=O)NCCCCc1
    [nH]cc(n1)CO; C(NC(C)=O)CCCc1ncc(CO)n1    		 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide
    31898 OH8 1 C25 H33 N5 O3 InChI=1S/C25H33N5O3/c1-17
    (2)33-21-12-20(15-26-16-2
    1)19-4-5-23-22(13-19)24(2
    9-28-23)25(31)27-14-18-6-
    8-30(9-7-18)10-11-32-3/h4
    -5,12-13,15-18H,6-11,14H2
    ,1-3H3,(H,27,31)(H,28,29);
    PKDWPGOXVXMHCS-UHFFFAOYSA-N    		 CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O
    )NCC4CCN(CC4)CCOC; COCCN1CCC(CC1)CNC(=O)
    c2n[nH]c3ccc(cc23)c4cncc(OC(C)C)c4    		 ~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{H}-indazole-3-carboxamide
    31899 OH9 2 C11 H17 N5 O10 P2 InChI=1S/C11H17N5O10P2/c1
    -23-27(19,20)26-28(21,22)
    24-2-5-7(17)8(18)11(25-5)
    16-4-15-6-9(12)13-3-14-10
    (6)16/h3-5,7-8,11,17-18H,
    2H2,1H3,(H,19,20)(H,21,22
    )(H2,12,13,14)/t5-,7-,8-,
    11-/m1/s1;
    RUEXVBUEYZJEHS-IOSLPCCCSA-N    		 CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH]
    (O)[CH]1O)n2cnc3c(N)ncnc23; COP(=O)(O)OP
    (=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2
    cnc3c2ncnc3N)O)O; CO[P](O)(=O)O[P](O)(=O
    )OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c
    (N)ncnc23; COP(=O)(O)OP(=O)(O)OCC1C(C(C(
    O1)n2cnc3c2ncnc3N)O)O    		 beta-methyl-adenosine diphosphate;
    [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate;
    [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate;
    beta-methyl-ADP
    31900 OHA 4 C16 H30 O3 InChI=1S/C16H30O3/c1-2-3-
    4-9-12-15(17)13-10-7-5-6-
    8-11-14-16(18)19/h2-14H2,
    1H3,(H,18,19);
    VBFPQNKLKQDSCH-UHFFFAOYSA-N    		 CCCCCCC(=O)CCCCCCCCC(=O)O; O=C(CCCCCC)CC
    CCCCCCC(=O)O; CCCCCCC(=O)CCCCCCCCC(O)=O    		 10-oxohexadecanoic acid
    31901 OHB
    CHEMBL27577
    DB08797
    ZINC000000002055    		 10 C7 H7 N O2 InChI=1S/C7H7NO2/c8-7(10)
    5-3-1-2-4-6(5)9/h1-4,9H,(
    H2,8,10);
    SKZKKFZAGNVIMN-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)N)O; NC(=O)c1ccccc1O; O=
    C(c1ccccc1O)N    		 salicylamide;
    2-hydroxybenzamide
    31902 OHC 1 C17 H18 Cl N3 O2 InChI=1S/C17H18ClN3O2/c1-
    11-3-4-19-10-16(11)21-17(
    23)8-13-5-14(7-15(18)6-13
    )9-20-12(2)22/h3-7,10H,8-
    9H2,1-2H3,(H,20,22)(H,21,
    23);
    XDVRTJWPDGZLAS-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)CNC(=O)C;
    O=C(Nc1cnccc1C)Cc1cc(CNC(C)=O)cc(Cl)c1;
    CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1    		 2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
    31903 OHD 0 C14 H14 Cl N3 O4 InChI=1S/C14H14ClN3O4/c1-
    7(16)13-17-10(14(22)18(13
    )6-12(20)21)5-8-2-3-11(19
    )9(15)4-8/h2-5,7,19H,6,16
    H2,1H3,(H,20,21)/b10-5-/t
    7-/m0/s1;
    JUGKPHPDTRUHCK-ZHNVUNHESA-N    		 CC(C1=NC(=Cc2ccc(c(c2)Cl)O)C(=O)N1CC(=O)
    O)N; C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/
    C(=O)N1CC(=O)O)N; NC(C)C1=N/C(C(N1CC(O)=
    O)=O)=C\c2ccc(c(c2)Cl)O; C[CH](N)C1=NC(=
    Cc2ccc(O)c(Cl)c2)C(=O)N1CC(O)=O; C[C@H](
    N)C1=N\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CC(O)
    =O    		 {(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    31904 OHE 0 C2 H6 O InChI=1/C2H6O/c1-2-3/h3H,
    2H2,1H3;
    LFQSCWFLJHTTHZ-UHFFFAOYAB    		 CCO; OCC HYDROXYETHYL GROUP
    31905 OHF
    CHEMBL5314424
    DB18071    		 4 C20 H22 N2 O6 InChI=1S/C20H22N2O6/c23-9
    -6-17-15(3-2-7-21-17)20(2
    6)22-8-10-27-12-14(22)13-
    28-19-5-1-4-18(25)16(19)1
    1-24/h1-5,7,11,14,23,25H,
    6,8-10,12-13H2/t14-/m0/s1;
    NIWBSQAKKNNWBT-AWEZNQCLSA-N    		 c1cc(c(c(c1)OCC2COCCN2C(=O)c3cccnc3CCO)C
    =O)O; O=C(N1CCOCC1COc1cccc(O)c1C=O)c1ccc
    nc1CCO; c1cc(c(c(c1)OC[C@@H]2COCCN2C(=O)
    c3cccnc3CCO)C=O)O; OCCc1ncccc1C(=O)N2CCO
    C[CH]2COc3cccc(O)c3C=O; OCCc1ncccc1C(=O)
    N2CCOC[C@H]2COc3cccc(O)c3C=O    		 2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde
    31906 OHG
    ZINC000012336500    		 1 C5 H8 N2 O InChI=1S/C5H8N2O/c1-4-6-2
    -5(3-8)7-4/h2,8H,3H2,1H3,
    (H,6,7);
    MQRMTENGXFRETM-UHFFFAOYSA-N    		 Cc1[nH]cc(n1)CO; Cc1[nH]cc(CO)n1; Cc1nc(
    cn1)CO    		 (2-methyl-1H-imidazol-4-yl)methanol
    31907 OHH
    DB04016
    ZINC000024666930    		 2 C40 H35 N2 O6 P InChI=1S/C40H35N2O6P/c1-4
    1(32-19-21-42(22-20-32)39
    (44)31-18-17-26-9-2-3-11-
    28(26)23-31)40(45)36-25-3
    0-13-5-4-12-29(30)24-35(3
    6)37(43)38(49(46,47)48)34
    -16-8-14-27-10-6-7-15-33(
    27)34/h2-18,23-25,32,38H,
    19-22H2,1H3,(H2,46,47,48)
    /t38-/m1/s1;
    XUJQPDQURBZEGJ-KXQOOQHDSA-N    		 CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4
    cc5ccccc5cc4C(=O)C(c6cccc7c6cccc7)P(=O)(
    O)O; CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(
    =O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cc
    cc7)P(=O)(O)O; CN(C1CCN(CC1)C(=O)c2ccc3c
    cccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[CH](c6c
    ccc7ccccc67)[P](O)(O)=O; O=C(c2cc1ccccc1
    cc2)N7CCC(N(C(=O)c6cc3ccccc3cc6C(=O)C(c5
    c4ccccc4ccc5)P(=O)(O)O)C)CC7; CN(C1CCN(C
    C1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5c
    c4C(=O)[C@@H](c6cccc7ccccc67)[P](O)(O)=O    		 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID
    31908 OHI 0 C6 H7 N3 O3 InChI=1S/C6H7N3O3/c7-4(5(
    10)11)1-3-2-8-6(12)9-3/h2
    ,4H,1,7H2,(H,10,11)/t4-/m
    0/s1;
    MWUSZYAURGSGRY-BYPYZUCNSA-N    		 O=C1N=C(C=N1)CC(N)C(=O)O; N[CH](CC1=NC(=
    O)N=C1)C(O)=O; N[C@@H](CC1=NC(=O)N=C1)C(
    O)=O; C1=NC(=O)N=C1C[C@@H](C(=O)O)N; C1=
    NC(=O)N=C1CC(C(=O)O)N    		 3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE
    31909 OHJ
    ZINC000012956117    		 2 C8 H14 N2 O InChI=1S/C8H14N2O/c1-2-3-
    4-8-9-5-7(6-11)10-8/h5,11
    H,2-4,6H2,1H3,(H,9,10);
    UZKBZGAMRJRWLR-UHFFFAOYSA-N    		 CCCCc1[nH]cc(n1)CO; CCCCc1[nH]cc(CO)n1;
    C(c1cnc(CCCC)n1)O    		 (2-butyl-1H-imidazol-4-yl)methanol
    31910 OHK 2 C22 H26 N4 O3 InChI=1S/C22H26N4O3/c1-15
    (2)29-20-9-18(11-23-13-20
    )17-3-4-19-12-24-21(26(19
    )14-17)22(27)25-10-16-5-7
    -28-8-6-16/h3-4,9,11-16H,
    5-8,10H2,1-2H3,(H,25,27);
    HHJCFPYPXNXIIT-UHFFFAOYSA-N    		 CC(C)Oc1cncc(c1)c2ccc3cnc(n3c2)C(=O)NCC4
    CCOCC4; CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C
    (=O)NCC4CCOCC4    		 ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
    31911 OHL
    CHEMBL315949
    ZINC000013764109    		 1 C15 H17 N3 O5 S InChI=1S/C15H17N3O5S/c1-2
    3-13-2-4-14(5-3-13)24(21,
    22)18(11-15(19)17-20)10-1
    2-6-8-16-9-7-12/h2-9,20H,
    10-11H2,1H3,(H,17,19);
    BWTYNJYIHZVAOW-UHFFFAOYSA-N    		 COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(
    =O)NO; COc1ccc(cc1)[S](=O)(=O)N(CC(=O)NO
    )Cc2ccncc2; O=S(=O)(N(Cc1ccncc1)CC(=O)NO
    )c2ccc(OC)cc2; COc1ccc(cc1)S(=O)(=O)N(Cc
    2ccncc2)CC(=O)NO    		 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide;
    N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide
    31912 OHM
    CHEMBL1234965
    DB08323
    ZINC000053683081    		 4 C16 H28 N2 O3 InChI=1S/C16H28N2O3/c1-2-
    3-4-5-6-7-8-9-13(19)12-15
    (20)18-14-10-11-17-16(14)
    21/h14H,2-12H2,1H3,(H,17,
    21)(H,18,20)/t14-/m0/s1;
    VEYZCVBECUYIJZ-AWEZNQCLSA-N    		 O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC; CCCCCCCC
    CC(=O)CC(=O)N[CH]1CCNC1=O; CCCCCCCCCC(=O
    )CC(=O)NC1CCNC1=O; CCCCCCCCCC(=O)CC(=O)N
    [C@H]1CCNC1=O    		 3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE
    31913 OHN
    CHEMBL8483
    DB08324
    ZINC000008436851    		 23 C16 H27 N O4 InChI=1S/C16H27NO4/c1-2-3
    -4-5-6-7-8-9-13(18)12-15(
    19)17-14-10-11-21-16(14)2
    0/h14H,2-12H2,1H3,(H,17,1
    9)/t14-/m0/s1;
    PHSRRHGYXQCRPU-AWEZNQCLSA-N    		 CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O; CCCC
    CCCCCC(=O)CC(=O)NC1CCOC1=O; O=C1OCCC1NC(
    =O)CC(=O)CCCCCCCCC; CCCCCCCCCC(=O)CC(=O)
    N[CH]1CCOC1=O    		 N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE
    31914 OHO
    ZINC000005188780    		 4 C7 H13 N O2 InChI=1S/C7H13NO2/c9-7(10
    )8-6-4-2-1-3-5-6/h6,8H,1-
    5H2,(H,9,10);
    OQQXGCLLMDQESN-UHFFFAOYSA-N    		 O=C(O)NC1CCCCC1; OC(=O)NC1CCCCC1; C1CCC(
    CC1)NC(=O)O    		 CYCLOHEXANE AMINOCARBOXYLIC ACID
    31915 OHP
    CHEMBL240714
    ZINC000000164777    		 3 C8 H8 O3 InChI=1S/C8H8O3/c9-7-4-2-
    1-3-6(7)5-8(10)11/h1-4,9H
    ,5H2,(H,10,11);
    CCVYRRGZDBSHFU-UHFFFAOYSA-N    		 O=C(O)Cc1ccccc1O; c1ccc(c(c1)CC(=O)O)O;
    OC(=O)Cc1ccccc1O    		 (2-HYDROXYPHENYL)ACETIC ACID
    31916 OHR 2 C15 H23 N5 O13 P2 InChI=1S/C15H23N5O13P2/c1
    6-13-10-14(18-4-17-13)20(
    5-19-10)9-1-6(21)7(31-9)2
    -29-34(25,26)33-35(27,28)
    30-3-8-11(22)12(23)15(24)
    32-8/h4-9,11-12,15,21-24H
    ,1-3H2,(H,25,26)(H,27,28)
    (H2,16,17,18)/t6-,7+,8+,9
    +,11+,12+,15-/m0/s1;
    QUQXNEJSUIYECI-KYMUXCIQSA-N    		 Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](
    O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[
    CH]4O)O3; c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO
    P(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)N;
    c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O
    3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H
    ]([C@H](O4)O)O)O)O)N; Nc1ncnc2n(cnc12)[C
    @H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(
    =O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)O3    		 2'-deoxyadenosine 5'-diphosphoribose;
    [[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    2'-deoxy-ADPR
    31917 OHS
    ZINC000038377623    		 0 C5 H7 N O6 S InChI=1S/C5H7NO6S/c6-2(4(
    8)9)1-3(7)12-13-5(10)11/h
    2H,1,6H2,(H,8,9)(H,10,11)
    /t2-/m1/s1;
    XLRNXEYAFDOPMG-UWTATZPHSA-N    		 C(C(C(=O)O)N)C(=O)OSC(=O)O; O=C(O)SOC(=O
    )CC(N)C(=O)O; C([C@H](C(=O)O)N)C(=O)OSC(
    =O)O; N[C@H](CC(=O)OSC(O)=O)C(O)=O; N[CH
    ](CC(=O)OSC(O)=O)C(O)=O    		 O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE
    31918 OHT
    CHEMBL489
    DB04468
    ZINC000000902197    		 40 C26 H29 N O2 InChI=1S/C26H29NO2/c1-4-2
    5(20-8-6-5-7-9-20)26(21-1
    0-14-23(28)15-11-21)22-12
    -16-24(17-13-22)29-19-18-
    27(2)3/h5-17,28H,4,18-19H
    2,1-3H3/b26-25-;
    TXUZVZSFRXZGTL-QPLCGJKRSA-N    		 CC\C(c1ccccc1)=C(/c2ccc(O)cc2)c3ccc(OCCN
    (C)C)cc3; CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O
    CCN(C)C)c3ccccc3; CC/C(=C(\c1ccc(cc1)O)/
    c2ccc(cc2)OCCN(C)C)/c3ccccc3; O(c1ccc(cc
    1)/C(c2ccc(O)cc2)=C(\c3ccccc3)CC)CCN(C)C
    ; CCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(OCCN
    (C)C)cc3    		 4-HYDROXYTAMOXIFEN
    31919 OHU
    ZINC000013514788    		 0 C9 H13 N2 O9 P InChI=1S/C9H13N2O9P/c12-4
    -1-7(20-6(4)3-19-21(16,17
    )18)11-2-5(13)8(14)10-9(1
    1)15/h2,4,6-7,12-13H,1,3H
    2,(H,10,14,15)(H2,16,17,1
    8)/t4-,6+,7+/m0/s1;
    ZQYXKIGZDRIQRE-UBKIQSJTSA-N    		 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C
    =C(O)C(=O)NC2=O; C1C(C(OC1N2C=C(C(=O)NC2
    =O)O)COP(=O)(O)O)O; C1[C@@H]([C@H](O[C@H
    ]1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O; O=P(
    O)(O)OCC2OC(N1C(=O)NC(=O)C(O)=C1)CC2O; O
    [CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(O)C
    (=O)NC2=O    		 2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)
    31920 OHV 1 C16 H21 N3 O3 InChI=1S/C16H21N3O3/c20-1
    1-14-10-18-15(19-14)8-4-5
    -9-17-16(21)22-12-13-6-2-
    1-3-7-13/h1-3,6-7,10,20H,
    4-5,8-9,11-12H2,(H,17,21)
    (H,18,19);
    NIZFBMMWDHTIBI-UHFFFAOYSA-N    		 C(CCCc1ncc(CO)n1)NC(=O)OCc2ccccc2; OCc1[
    nH]c(CCCCNC(=O)OCc2ccccc2)nc1; c1ccc(cc1
    )COC(=O)NCCCCc2[nH]c(cn2)CO    		 benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
    31921 OHW 1 C23 H32 F3 N3 O2 InChI=1S/C23H32F3N3O2/c1-
    2-5-19-18-8-7-17(31-23(24
    ,25)26)16-20(18)27-22(19)
    21-6-3-4-9-29(21)11-10-28
    -12-14-30-15-13-28/h7-8,1
    6,21,27H,2-6,9-15H2,1H3/t
    21-/m1/s1;
    UNPIVXUWRQMOQC-OAQYLSRUSA-N    		 CCCc1c2ccc(cc2[nH]c1[C@H]3CCCCN3CCN4CCOC
    C4)OC(F)(F)F; CCCc1c2ccc(cc2[nH]c1C3CCCC
    N3CCN4CCOCC4)OC(F)(F)F; CCCc1c([nH]c2cc(
    OC(F)(F)F)ccc12)[CH]3CCCCN3CCN4CCOCC4; C
    CCc1c([nH]c2cc(OC(F)(F)F)ccc12)[C@H]3CCC
    CN3CCN4CCOCC4    		 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine;
    CAD204520
    31922 OHX 1537 H12 N6 Os InChI=1S/6H2N.Os/h6*1H2;/
    q6*-1;+6;
    OWCQTVJQFLTQTE-UHFFFAOYSA-N    		 N[Os](N)(N)(N)(N)N osmium (III) hexammine;
    osmium(6+) hexaazanide
    31923 OHY 2 C30 H30 Cl F N4 O3 InChI=1S/C30H30ClFN4O3/c1
    -4-27(38)34-12-14-35(15-1
    3-34)29-21-16-22(31)20(28
    -23(32)9-7-11-26(28)37)17
    -25(21)36(30(39)33-29)24-
    10-6-5-8-19(24)18(2)3/h5-
    11,16-18,37H,4,12-15H2,1-
    3H3;
    OCTKIXILUUVPLP-UHFFFAOYSA-N    		 CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3ccccc3C(C)
    C)c4cc(c(Cl)cc24)c5c(O)cccc5F; CCC(=O)N1
    CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4
    F)O)Cl)c5ccccc5C(C)C; CC(C)c1c(cccc1)N3c
    2cc(c(cc2C(=NC3=O)N4CCN(CC4)C(CC)=O)Cl)c
    5c(F)cccc5O    		 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one
    31924 OHZ 2 C16 H14 Cl F3 N2 O3 InChI=1S/C16H14ClF3N2O3/c
    17-11-7-12(9-13(8-11)25-1
    6(18,19)20)21-15(24)22-14
    -4-2-1-3-10(14)5-6-23/h1-
    4,7-9,23H,5-6H2,(H2,21,22
    ,24);
    MFPOPEHXGDSREH-UHFFFAOYSA-N    		 OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c
    2; c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)O
    C(F)(F)F    		 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea;
    1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
    31925 OI1 4 C32 H35 N3 O5 InChI=1S/C32H35N3O5/c1-2-
    5-27(30(38)33-17-16-21-8-
    12-25(36)13-9-21)35-29(18
    -22-10-14-26(37)15-11-22)
    31(39)34-20-24-7-4-3-6-23
    (24)19-28(34)32(35)40/h3-
    4,6-15,27-29H,2,5,16-20H2
    ,1H3,(H3,33,36,37,38)/t27
    -,28-,29-/m0/s1;
    GSRXSLSGKZHATI-AWCRTANDSA-N    		 CCC[C@@H](C(=O)NCCc1ccc(O)cc1)[N+]2=C([O
    -])[C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc
    (O)cc5; CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N
    +]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5
    ccc(cc5)O)[O-]; CCC[CH](C(=O)NCCc1ccc(O)
    cc1)[N+]2=C([O-])[CH]3Cc4ccccc4CN3C(=O)[
    CH]2Cc5ccc(O)cc5; CCCC(C(=O)NCCc1ccc(cc1
    )O)[N+]2=C(C3Cc4ccccc4CN3C(=O)C2Cc5ccc(c
    c5)O)[O-]; O=C(NCCc1ccc(O)cc1)C([N+]2=C(
    [O-])C5N(C(=O)C2Cc3ccc(O)cc3)Cc4c(cccc4)
    C5)CCC    		 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-4-OXO-3,6,11,11A-TETRAHYDRO-4H-PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-1-OLATE
    31926 OI2 1 C25 H38 O2 InChI=1S/C25H38O2/c1-7-21
    (6)23-13-9-12-22(24(23)15
    -14-18(2)3)16-19(4)10-8-1
    1-20(5)17-25(26)27/h8,10-
    11,16-18,21H,7,9,12-15H2,
    1-6H3,(H,26,27)/b11-8+,19
    -10-,20-17+,22-16+/t21-/m
    0/s1;
    USDOYFQDHIMGBQ-CKASWENUSA-N    		 CCC(C)C=1CCC\C(=C/C(/C)=C\C=C\C(\C)=C\C(
    =O)O)C=1CCC(C)C; CC[C@H](C)C1=C(/C(=C/C(
    =C\C=C\C(=C\C(=O)O)\C)/C)/CCC1)CCC(C)C;
    CC[C@H](C)C1=C(CCC(C)C)C(/CCC1)=C/C(C)=C
    \C=C\C(C)=C\C(O)=O; CC[CH](C)C1=C(CCC(C)
    C)C(CCC1)=CC(C)=CC=CC(C)=CC(O)=O; CCC(C)
    C1=C(C(=CC(=CC=CC(=CC(=O)O)C)C)CCC1)CCC(
    C)C    		 (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid
    31927 OI3 2 C15 H22 F N5 O13 P2 InChI=1S/C15H22FN5O13P2/c
    16-7-9(22)5(32-14(7)21-4-
    20-8-12(17)18-3-19-13(8)2
    1)1-30-35(26,27)34-36(28,
    29)31-2-6-10(23)11(24)15(
    25)33-6/h3-7,9-11,14-15,2
    2-25H,1-2H2,(H,26,27)(H,2
    8,29)(H2,17,18,19)/t5-,6-
    ,7-,9-,10-,11-,14-,15-/m1
    /s1;
    DGMUNKKEZYJBEL-IUNVFAKASA-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]4[C@H]
    ([C@H]([C@@H](O4)O)O)O)O)F)N; Nc1ncnc2n(
    cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)
    OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]
    3F; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)
    (O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)F)N; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)
    O[P](O)(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@
    @H]4O)[C@@H](O)[C@H]3F    		 2'-deoxyadenosine 5'-fluoro-diphosphoribose;
    [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    2'-deoxy-2'-fluoro-ADPR
    31928 OI4 3 C16 H15 Cl N2 O2 InChI=1S/C16H15ClN2O2/c1-
    10-4-6-18-9-14(10)19-16(2
    0)12-5-7-21-15-3-2-11(17)
    8-13(12)15/h2-4,6,8-9,12H
    ,5,7H2,1H3,(H,19,20)/t12-
    /m1/s1;
    KJMNRTLNVIILOB-GFCCVEGCSA-N    		 Cc1ccncc1NC(=O)[C@@H]2CCOc3c2cc(cc3)Cl;
    Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21; Cc1cc
    ncc1NC(=O)C2CCOc3c2cc(cc3)Cl; Cc1ccncc1N
    C(=O)[CH]2CCOc3ccc(Cl)cc23; Cc1ccncc1NC(
    =O)[C@@H]2CCOc3ccc(Cl)cc23    		 (4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    31929 OI5
    CHEMBL5200645    		 1 C24 H36 O2 InChI=1S/C24H36O2/c1-6-9-
    21-12-8-13-22(23(21)15-14
    -18(2)3)16-19(4)10-7-11-2
    0(5)17-24(25)26/h7,10-11,
    16-18H,6,8-9,12-15H2,1-5H
    3,(H,25,26)/b11-7+,19-10-
    ,20-17+,22-16+;
    AFPIKPIXJYHWHZ-JALBNXGMSA-N    		 CCCC1=C(C(=CC(=CC=CC(=CC(=O)O)C)C)CCC1)C
    CC(C)C; CCCC1=C(CCC(C)C)/C(CCC1)=C/C(C)=
    C\C=C\C(C)=C\C(O)=O; CCCC=1CCC\C(=C/C(/C
    )=C\C=C\C(\C)=C\C(=O)O)C=1CCC(C)C; CCCC1
    =C(/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC
    1)CCC(C)C; CCCC1=C(CCC(C)C)C(CCC1)=CC(C)
    =CC=CC(C)=CC(O)=O    		 (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid
    31930 OI6 2 C15 H22 Br N5 O14 P2 InChI=1S/C15H22BrN5O14P2/
    c16-15-20-6-11(17)18-3-19
    -12(6)21(15)13-9(24)7(22)
    4(33-13)1-31-36(27,28)35-
    37(29,30)32-2-5-8(23)10(2
    5)14(26)34-5/h3-5,7-10,13
    -14,22-26H,1-2H2,(H,27,28
    )(H,29,30)(H2,17,18,19)/t
    4-,5-,7-,8-,9-,10-,13-,14
    -/m1/s1;
    DPZGAPGUTMHLAW-AIKIOGRUSA-N    		 Nc1ncnc2n([CH]3O[CH](CO[P](O)(=O)O[P](O)
    (=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)
    [CH]3O)c(Br)nc12; c1nc(c2c(n1)n(c(n2)Br)
    C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(
    O4)O)O)O)O)O)N; c1nc(c2c(n1)n(c(n2)Br)[C
    @H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(
    =O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O
    )O)O)O)N; Nc1ncnc2n([C@@H]3O[C@H](CO[P](
    O)(=O)O[P](O)(=O)OC[C@H]4O[C@@H](O)[C@H]
    (O)[C@@H]4O)[C@@H](O)[C@H]3O)c(Br)nc12    		 8-bromoadenosine 5'-diphosphoribose;
    [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    [[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    8Br-ADPR
    31931 OI7
    ZINC000058632765    		 4 C7 H16 O13 P2 InChI=1S/C7H16O13P2/c8-3(
    1-18-21(12,13)14)5-4(9)6(
    10)7(11,20-5)2-19-22(15,1
    6)17/h3-6,8-11H,1-2H2,(H2
    ,12,13,14)(H2,15,16,17)/t
    3-,4-,5-,6+,7-/m1/s1;
    YCQNLCZEHKXXNQ-BNWJMWRWSA-N    		 C(C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O)OP(=
    O)(O)O; C([C@H]([C@@H]1[C@H]([C@@H]([C@]
    (O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O; O[C
    @H](CO[P](O)(O)=O)[C@H]1O[C@](O)(CO[P](O
    )(O)=O)[C@@H](O)[C@@H]1O; O[CH](CO[P](O)
    (O)=O)[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O)
    [CH]1O; O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O
    )O)C(O)C1O    		 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose;
    1,7-di-O-phosphono-beta-D-altro-hept-2-ulose;
    1,7-di-O-phosphono-D-altro-hept-2-ulose;
    1,7-di-O-phosphono-altro-hept-2-ulose
    31932 OI9
    CHEMBL4448608
    ZINC000060183503    		 17 C19 H34 N8 O8 InChI=1S/C19H34N8O8/c20-3
    -1-2-7(21)4-10(30)24-13-1
    4(31)15(35-18(22)33)9(6-2
    8)34-17(13)27-19-25-11-8(
    29)5-23-16(32)12(11)26-19
    /h7-9,11-15,17,28-29,31H,
    1-6,20-21H2,(H2,22,33)(H,
    23,32)(H,24,30)(H2,25,26,
    27)/t7-,8+,9+,11+,12-,13+
    ,14-,15-,17+/m0/s1;
    NRAUADCLPJTGSF-VLSXYIQESA-N    		 NCCC[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)
    =O)[CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](
    O)CNC3=O; C1[C@H]([C@@H]2[C@@H](C(=O)N1)
    N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](
    O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O; C
    1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)O
    C(=O)N)O)NC(=O)CC(CCCN)N)O; NCCCC(N)CC(=
    O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)
    C(=O)NCC2O; NCCC[C@H](N)CC(=O)N[C@@H]1[C
    @H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC
    2=N[C@H]3[C@H](N2)[C@H](O)CNC3=O    		 Streptothricin F
    31933 OIA
    ZINC000090225589    		 6 C10 H9 N O3 InChI=1S/C10H9NO3/c12-9(1
    3)5-7-6-3-1-2-4-8(6)11-10
    (7)14/h1-4,7H,5H2,(H,11,1
    4)(H,12,13)/t7-/m0/s1;
    ILGMGHZPXRDCCS-ZETCQYMHSA-N    		 c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O; c1ccc
    2c(c1)C(C(=O)N2)CC(=O)O; OC(=O)C[C@@H]1C
    (=O)Nc2ccccc12; OC(=O)CC2c1ccccc1NC2=O;
    OC(=O)C[CH]1C(=O)Nc2ccccc12    		 [(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid
    31934 OIB 0 C6 H13 N O5 InChI=1S/C6H13NO5/c1-12-3
    (2-7)4(8)5(9)6(10)11/h3-5
    ,8-9H,2,7H2,1H3,(H,10,11)
    /t3-,4-,5-/m0/s1;
    AZZQNKGHODDJIM-YUPRTTJUSA-N    		 CO[CH](CN)[CH](O)[CH](O)C(O)=O; COC(CN)C
    (C(C(=O)O)O)O; CO[C@@H](CN)[C@@H]([C@@H]
    (C(=O)O)O)O; CO[C@@H](CN)[C@H](O)[C@H](O
    )C(O)=O    		 hydroxylated gamma-amino valeroyl moiety;
    (2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid;
    (2S,3R,4S)-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
    31935 OIC
    DB03409
    ZINC000004899687    		 0 C9 H15 N O2 InChI=1S/C9H15NO2/c11-9(1
    2)8-5-6-3-1-2-4-7(6)10-8/
    h6-8,10H,1-5H2,(H,11,12)/
    t6-,7-,8-/m0/s1;
    CQYBNXGHMBNGCG-FXQIFTODSA-N    		 C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O; OC
    (=O)[CH]1C[CH]2CCCC[CH]2N1; OC(=O)[C@@H]
    1C[C@@H]2CCCC[C@@H]2N1; C1CCC2C(C1)CC(N2
    )C(=O)O; O=C(O)C1NC2CCCCC2C1    		 OCTAHYDROINDOLE-2-CARBOXYLIC ACID
    31936 OID
    ZINC000039296093    		 2 C13 H22 N2 O2 InChI=1S/C13H22N2O2/c16-1
    3(17)8-6-4-2-1-3-5-7-10-1
    5-11-9-14-12-15/h9,11-12H
    ,1-8,10H2,(H,16,17);
    DOJPUPKORVKCJK-UHFFFAOYSA-N    		 c1cn(cn1)CCCCCCCCCC(=O)O; OC(=O)CCCCCCCC
    Cn1ccnc1; O=C(O)CCCCCCCCCn1ccnc1    		 10-(1H-imidazol-1-yl)decanoic acid;
    10-imidazolyl-decanoic acid
    31937 OIE 1 C16 H12 Cl N3 O InChI=1S/C16H12ClN3O/c17-
    12-5-6-19-13(7-12)8-16(21
    )20-15-10-18-9-11-3-1-2-4
    -14(11)15/h1-7,9-10H,8H2,
    (H,20,21);
    WBAYRCXMIZFJCT-UHFFFAOYSA-N    		 Clc1ccnc(CC(=O)Nc2cncc3ccccc23)c1; O=C(C
    c1cc(Cl)ccn1)Nc1cncc2ccccc21; c1ccc2c(c1
    )cncc2NC(=O)Cc3cc(ccn3)Cl    		 2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
    31938 OIF
    CHEMBL5219807    		 1 C9 H8 N2 O4 S2 InChI=1S/C9H8N2O4S2/c12-8
    (5-17(13,14)15)11-9-10-6-
    3-1-2-4-7(6)16-9/h1-4H,5H
    2,(H,10,11,12)(H,13,14,15
    );
    SYEABNIGTPGICH-UHFFFAOYSA-N    		 O=S(=O)(O)CC(=O)Nc1nc2ccccc2s1; O[S](=O)
    (=O)CC(=O)Nc1sc2ccccc2n1; c1ccc2c(c1)nc(
    s2)NC(=O)CS(=O)(=O)O    		 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid
    31939 OIG 2 C12 H19 N5 O10 P2 InChI=1S/C12H19N5O10P2/c1
    -2-24-28(20,21)27-29(22,2
    3)25-3-6-8(18)9(19)12(26-
    6)17-5-16-7-10(13)14-4-15
    -11(7)17/h4-6,8-9,12,18-1
    9H,2-3H2,1H3,(H,20,21)(H,
    22,23)(H2,13,14,15)/t6-,8
    -,9-,12-/m1/s1;
    OBBAXRNSCNGYQO-WOUKDFQISA-N    		 CCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c
    2ncnc3N)O)O; CCO[P](O)(=O)O[P](O)(=O)OC[
    C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)n
    cnc23; CCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H
    ]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; CC
    O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](
    O)[CH]1O)n2cnc3c(N)ncnc23    		 beta-ethyl-adenosine diphosphate;
    [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethyl hydrogen phosphate;
    [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] ethyl hydrogen phosphate;
    beta-ethyl-ADP
    31940 OIH 2 C28 H32 Cl F N4 O3 InChI=1S/C28H32ClFN4O3/c1
    -18(2)17-34(20-7-4-3-5-8-
    20)25-13-11-21(33-14-6-9-
    26(33)27(35)36)16-24(25)3
    2-28(37)31-23-12-10-19(29
    )15-22(23)30/h6,9-16,18,2
    0H,3-5,7-8,17H2,1-2H3,(H,
    35,36)(H2,31,32,37);
    JYDXSLBOQXZAKM-UHFFFAOYSA-N    		 CC(C)CN(c1ccc(cc1NC(=O)Nc2ccc(cc2F)Cl)n3
    cccc3C(=O)O)C4CCCCC4; CC(C)CN(C1CCCCC1)c
    2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O)
    =O    		 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid
    31941 OIJ
    CHEMBL4436028    		 8 C25 H22 F N5 O2 InChI=1S/C25H22FN5O2/c26-
    18-4-1-15(2-5-18)24-23(16
    -3-6-20-17(13-16)14-22(33
    )28-20)21-7-10-27-25(31(2
    1)29-24)30-11-8-19(32)9-1
    2-30/h1-7,10,13,19,32H,8-
    9,11-12,14H2,(H,28,33);
    UWIJVELUZWBFEU-UHFFFAOYSA-N    		 c1cc(ccc1c2c(c3ccnc(n3n2)N4CCC(CC4)O)c5c
    cc6c(c5)CC(=O)N6)F; OC1CCN(CC1)c2nccc3n2
    nc(c4ccc(F)cc4)c3c5ccc6NC(=O)Cc6c5    		 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
    31942 OIK 1 C20 H19 N3 O InChI=1S/C20H19N3O/c24-20
    (19-15-21-14-16-6-4-5-9-1
    8(16)19)23-12-10-22(11-13
    -23)17-7-2-1-3-8-17/h1-9,
    14-15H,10-13H2;
    UIQBSVLMOPGDAQ-UHFFFAOYSA-N    		 O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1; O
    =C(N1CCN(CC1)c2ccccc2)c3cncc4ccccc34; c1
    ccc(cc1)N2CCN(CC2)C(=O)c3cncc4c3cccc4    		 (isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
    31943 OIL
    ZINC000000402951    		 0 C6 H12 O3 InChI=1S/C6H12O3/c1-3-4(2
    )5(7)6(8)9/h4-5,7H,3H2,1-
    2H3,(H,8,9)/t4-,5-/m0/s1;
    RILPIWOPNGRASR-WHFBIAKZSA-N    		 O=C(O)C(O)C(C)CC; CC[C@H](C)[C@@H](C(=O)
    O)O; CC[CH](C)[CH](O)C(O)=O; CC[C@H](C)[
    C@H](O)C(O)=O; CCC(C)C(C(=O)O)O    		 (2S,3S)-2-hydroxy-3-methylpentanoic acid
    31944 OIM
    ZINC000098209263    		 0 C21 H26 N4 O6 InChI=1S/C21H26N4O6/c1-4-
    11(2)18(22)21(30)24-17(12
    (3)31-21)19-23-15(20(29)2
    5(19)10-16(27)28)9-13-5-7
    -14(26)8-6-13/h5-9,11-12,
    18,26,30H,4,10,22H2,1-3H3
    ,(H,27,28)/b15-9-/t11-,12
    +,18-,21+/m0/s1;
    LIQZHRFTMFYAKC-MMOVILGGSA-N    		 CC[C@H](C)[C@@H]([C@@]1(N=C([C@H](O1)C)C
    2=N/C(=C\c3ccc(cc3)O)/C(=O)N2CC(=O)O)O)N
    ; CC[CH](C)[CH](N)[C]1(O)O[CH](C)C(=N1)C
    2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O; CC[C@
    H](C)[C@H](N)[C@@]1(O)O[C@H](C)C(=N1)C2=
    N\C(=C/c3ccc(O)cc3)C(=O)N2CC(O)=O; O=C(O
    )CN2C(=N/C(=C\c1ccc(O)cc1)C2=O)C3=NC(O)(
    OC3C)C(N)C(C)CC; CCC(C)C(C1(N=C(C(O1)C)C
    2=NC(=Cc3ccc(cc3)O)C(=O)N2CC(=O)O)O)N    		 [(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    31945 OIN
    CHEMBL1234973
    ZINC000100068360    		 8 C17 H23 N O3 InChI=1S/C17H23NO3/c1-18-
    13-7-8-14(18)10-15(9-13)2
    1-17(20)16(11-19)12-5-3-2
    -4-6-12/h2-6,13-16,19H,7-
    11H2,1H3/t13-,14+,15-,16-
    /m1/s1;
    RKUNBYITZUJHSG-QKPAOTATSA-N    		 O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO; CN
    1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3; CN1[C@
    H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc
    3; CN1[CH]2CC[CH]1CC(C2)OC(=O)[CH](CO)c3
    ccccc3    		 (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE;
    ATROPINE
    31946 OIO
    CHEMBL1191015
    ZINC000038337192    		 2 C11 H18 N2 O2 InChI=1S/C11H18N2O2/c14-1
    1(15)6-4-2-1-3-5-8-13-9-7
    -12-10-13/h7,9-10H,1-6,8H
    2,(H,14,15);
    OUQGDTNNZRAKIB-UHFFFAOYSA-N    		 OC(=O)CCCCCCCn1ccnc1; c1cn(cn1)CCCCCCCC(
    =O)O    		 8-(1H-imidazol-1-yl)octanoic acid
    31947 OIP 0 C10 H13 N4 O7 P InChI=1/C10H13N4O7P/c15-5
    -1-7(21-6(5)2-20-22(17,18
    )19)14-4-13-8-9(14)11-3-1
    2-10(8)16/h3-7,15H,1-2H2,
    (H,11,12,16)(H2,17,18,19)
    /t5-,6+,7+/m0/s1/f/h12,17
    -18H;
    PHNGFPPXDJJADG-HZZUNUDTDZ    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(
    =O)NC=Nc23; c1nc2c(n1C3CC(C(O3)COP(=O)(O
    )O)O)N=CNC2=O; O[C@H]1C[C@@H](O[C@@H]1CO
    [P](O)(O)=O)n2cnc3C(=O)NC=Nc23; O=C1c2nc
    n(c2N=CN1)C3OC(C(O)C3)COP(=O)(O)O; c1nc2
    c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
    )N=CNC2=O    		 2'-DEOXY-INOSINIC ACID
    31948 OIQ 0 C14 H22 N5 O8 P InChI=1S/C14H22N5O8P/c1-7
    -4-18(13(22)17-10(7)21)11
    -8-9(20)14(27-11,6-26-28(
    23,24)25)5-19(8)12(15-2)1
    6-3/h4,8-9,11,20H,5-6H2,1
    -3H3,(H,15,16)(H,17,21,22
    )(H2,23,24,25)/t8-,9+,11-
    ,14-/m1/s1;
    UBEWFRLVLLXNDH-SZRLZVLASA-N    		 CNC(=NC)N1C[C]2(CO[P](O)(O)=O)O[CH]([CH]
    1[CH]2O)N3C=C(C)C(=O)NC3=O; CNC(=NC)N1C[
    C@]2(CO[P](O)(O)=O)O[C@H]([C@H]1[C@@H]2O
    )N3C=C(C)C(=O)NC3=O; CC1=CN(C(=O)NC1=O)C
    2C3C(C(O2)(CN3C(=NC)NC)COP(=O)(O)O)O; CC
    1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@]
    (O2)(CN3/C(=N/C)/NC)COP(=O)(O)O)O    		 [(1R,3R,4R,7S)-5-[(E)-N,N'-dimethylcarbamimidoyl]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
    31949 OIR
    DB02558
    ZINC000015894751    		 1 C21 H24 N2 O4 S InChI=1S/C21H24N2O4S/c1-1
    4(21(26)27)22-19(24)17(12
    -15-8-4-2-5-9-15)23-20(25
    )18(28)13-16-10-6-3-7-11-
    16/h2-11,14,17-18,28H,12-
    13H2,1H3,(H,22,24)(H,23,2
    5)(H,26,27)/t14-,17-,18+/
    m0/s1;
    CNILVMARPONFBX-JCGIZDLHSA-N    		 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]
    (S)Cc2ccccc2)C(O)=O; C[C@@H](C(=O)O)NC(=
    O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2
    )S; CC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(
    Cc2ccccc2)S; C[CH](NC(=O)[CH](Cc1ccccc1)
    NC(=O)[CH](S)Cc2ccccc2)C(O)=O; O=C(O)C(N
    C(=O)C(NC(=O)C(S)Cc1ccccc1)Cc2ccccc2)C    		 N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE
    31950 OIS
    DB04748
    ZINC000150339775    		 2 C34 H46 N6 O6 S2 InChI=1S/C34H46N6O6S2/c1-
    23(2)19-39(48(45,46)29-13
    -11-27(12-14-29)18-35-44)
    21-31(41)30(17-26-9-7-6-8
    -10-26)37-33(42)32(24(3)4
    )40-16-15-38(34(40)43)20-
    28-22-47-25(5)36-28/h6-14
    ,18,22-24,30-32,41,44H,15
    -17,19-21H2,1-5H3,(H,37,4
    2)/b35-18+/t30-,31+,32-/m
    0/s1;
    PJLSJXTZOMOVBI-KKWNBLJUSA-N    		 Cc1nc(cs1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)
    N[C@@H](Cc3ccccc3)[C@@H](C[N@](CC(C)C)S(
    =O)(=O)c4ccc(cc4)\C=N\O)O; CC(C)CN(C[C@@
    H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N
    2CCN(Cc3csc(C)n3)C2=O)[S](=O)(=O)c4ccc(c
    c4)/C=N/O; O=S(=O)(c1ccc(\C=N\O)cc1)N(CC
    (C)C)CC(O)C(NC(=O)C(N2C(=O)N(CC2)Cc3nc(s
    c3)C)C(C)C)Cc4ccccc4; Cc1nc(cs1)CN2CCN(C
    2=O)C(C(C)C)C(=O)NC(Cc3ccccc3)C(CN(CC(C)
    C)S(=O)(=O)c4ccc(cc4)C=NO)O; CC(C)CN(C[C
    H](O)[CH](Cc1ccccc1)NC(=O)[CH](C(C)C)N2C
    CN(Cc3csc(C)n3)C2=O)[S](=O)(=O)c4ccc(cc4
    )C=NO    		 (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE;
    OXIMINOARYLSULFONAMIDE
    31951 OIT 2 C20 H21 Cl2 N3 O2 InChI=1S/C20H21Cl2N3O2/c2
    1-15-9-14(10-16(22)12-15)
    20-25-17-6-5-13(11-18(17)
    27-20)19(26)24-8-4-2-1-3-
    7-23/h5-6,9-12H,1-4,7-8,2
    3H2,(H,24,26);
    VYSGGLIOFYGQHG-UHFFFAOYSA-N    		 c1cc2c(cc1C(=O)NCCCCCCN)oc(n2)c3cc(cc(c3
    )Cl)Cl; NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc
    (Cl)cc(Cl)c3    		 ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide;
    Tafamidis derivative
    31952 OIW 1 C6 H10 O4 InChI=1S/C6H10O4/c7-3-1-2
    -4(8)6(10)5(3)9/h1-10H/t3
    -,4+,5-,6-/m0/s1;
    LRUBQXAKGXQBHA-FSIIMWSLSA-N    		 C1=CC(C(C(C1O)O)O)O; C1=C[C@@H]([C@@H]([
    C@H]([C@@H]1O)O)O)O; O[C@@H]1C=C[C@H](O)
    [C@H](O)[C@H]1O; O[CH]1C=C[CH](O)[CH](O)
    [CH]1O    		 (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol;
    D-carbaxylosyl chloride
    31953 OIX 1 C19 H18 N2 O3 InChI=1S/C19H18N2O3/c1-23
    -17-8-4-5-9-18(17)24-11-1
    0-21-19(22)16-13-20-12-14
    -6-2-3-7-15(14)16/h2-9,12
    -13H,10-11H2,1H3,(H,21,22
    );
    SWRAJWUUCVFLBR-UHFFFAOYSA-N    		 COc1ccccc1OCCNC(=O)c1cncc2ccccc21; COc1c
    cccc1OCCNC(=O)c2cncc3c2cccc3; COc1ccccc1
    OCCNC(=O)c2cncc3ccccc23    		 N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide
    31954 OIY
    CHEMBL4535777
    ZINC000087520323    		 12 C31 H58 N12 O10 InChI=1S/C31H58N12O10/c32
    -7-1-4-15(33)10-20(46)37-
    8-2-5-16(34)11-21(47)38-9
    -3-6-17(35)12-22(48)40-25
    -26(49)27(53-30(36)51)19(
    14-44)52-29(25)43-31-41-2
    3-18(45)13-39-28(50)24(23
    )42-31/h15-19,23-27,29,44
    -45,49H,1-14,32-35H2,(H2,
    36,51)(H,37,46)(H,38,47)(
    H,39,50)(H,40,48)(H2,41,4
    2,43)/t15-,16-,17-,18+,19
    +,23+,24-,25+,26-,27-,29+
    /m0/s1;
    WUJTXMVGXDQPNN-OTQKCRDJSA-N    		 NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC
    [C@H](N)CC(=O)N[C@@H]1[C@H](O)[C@@H](OC(
    N)=O)[C@@H](CO)O[C@H]1NC2=N[C@H]3[C@H](N
    2)[C@H](O)CNC3=O; C1[C@H]([C@@H]2[C@@H](
    C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H
    ]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCC
    NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)
    O; NCCC[CH](N)CC(=O)NCCC[CH](N)CC(=O)NCC
    C[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)=O)
    [CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](O)C
    NC3=O; C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C
    (O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CC
    CNC(=O)CC(CCCN)N)N)N)O; NCCCC(N)CC(=O)NC
    CCC(N)CC(=O)NCCCC(N)CC(=O)NC1C(O)C(OC(N)
    =O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O    		 Streptothricin D
    31955 OIZ 1 C6 H9 Cl O3 InChI=1S/C6H9ClO3/c7-3-1-
    2-4(8)6(10)5(3)9/h1-6,8-1
    0H/t3-,4-,5+,6+/m0/s1;
    CGZQOMOYCGJBIC-UNTFVMJOSA-N    		 C1=CC(C(C(C1O)O)O)Cl; C1=C[C@@H]([C@H]([
    C@@H]([C@H]1O)O)O)Cl; O[CH]1C=C[CH](Cl)[
    CH](O)[CH]1O; O[C@H]1C=C[C@H](Cl)[C@@H](
    O)[C@@H]1O    		 (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol;
    L-carbaxylosyl chloride
    31956 OJ0
    CHEMBL1201193
    DB01002
    ZINC000001530812    		 1 C18 H28 N2 O InChI=1S/C18H28N2O/c1-4-5
    -12-20-13-7-6-11-16(20)18
    (21)19-17-14(2)9-8-10-15(
    17)3/h8-10,16H,4-7,11-13H
    2,1-3H3,(H,19,21)/t16-/m0
    /s1;
    LEBVLXFERQHONN-INIZCTEOSA-N    		 CCCCN1CCCC[C@H]1C(=O)Nc2c(cccc2C)C; CCCC
    N1CCCC[CH]1C(=O)Nc2c(C)cccc2C; CCCCN1CCC
    C[C@H]1C(=O)Nc2c(C)cccc2C; CCCCN1CCCCC1C
    (=O)Nc2c(cccc2C)C    		 Levobupivacaine;
    (2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide
    31957 OJ1 1 C27 H24 Cl F N4 O2 InChI=1S/C27H24ClFN4O2/c1
    -2-24(35)32-11-13-33(14-1
    2-32)27-19-16-21(28)20(25
    -22(29)9-6-10-23(25)34)15
    -18(19)26(30-31-27)17-7-4
    -3-5-8-17/h3-10,15-16,34H
    ,2,11-14H2,1H3;
    FAGFXCBADWXKSH-UHFFFAOYSA-N    		 CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccc
    cc4)c5c(cccc5F)O)Cl; CCC(N1CCN(CC1)c2c5c
    (c(nn2)c3ccccc3)cc(c4c(cccc4F)O)c(Cl)c5)
    =O; CCC(=O)N1CCN(CC1)c2nnc(c3ccccc3)c4cc
    (c(Cl)cc24)c5c(O)cccc5F    		 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one
    31958 OJ2 1 C16 H15 F3 N2 O3 InChI=1S/C16H15F3N2O3/c17
    -16(18,19)24-13-6-3-5-12(
    10-13)20-15(23)21-14-7-2-
    1-4-11(14)8-9-22/h1-7,10,
    22H,8-9H2,(H2,20,21,23);
    QYTRNJRTLNCHSJ-UHFFFAOYSA-N    		 OCCc1ccccc1NC(=O)Nc2cccc(OC(F)(F)F)c2; c
    1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F    		 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea;
    1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea
    31959 OJ3 1 C26 H26 F N O3 InChI=1S/C26H26FNO3/c1-26
    (31,13-5-8-18-6-3-2-4-7-1
    8)23-15-19(10-12-24(23)29
    )25(30)28-16-20-9-11-22(2
    7)14-21(20)17-28/h2-4,6-7
    ,9-12,14-15,29,31H,5,8,13
    ,16-17H2,1H3/t26-/m0/s1;
    CRJBRLBNXARYEQ-SANMLTNESA-N    		 C[C@](CCCc1ccccc1)(c2cc(ccc2O)C(=O)N3Cc4
    ccc(cc4C3)F)O; C[C@](O)(CCCc1ccccc1)c2cc
    (ccc2O)C(=O)N3Cc4ccc(F)cc4C3; CC(O)(CCCc
    1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccc(F)cc2C1
    ; CC(CCCc1ccccc1)(c2cc(ccc2O)C(=O)N3Cc4c
    cc(cc4C3)F)O; C[C](O)(CCCc1ccccc1)c2cc(c
    cc2O)C(=O)N3Cc4ccc(F)cc4C3    		 (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone
    31960 OJ4 3 C18 H24 N2 O8 S2 Te InChI=1S/C18H24N2O8S2Te/c
    19-29(23,24)17-5-1-15(2-6
    -17)27-9-13(21)11-31-12-1
    4(22)10-28-16-3-7-18(8-4-
    16)30(20,25)26/h1-8,13-14
    ,21-22H,9-12H2,(H2,19,23,
    24)(H2,20,25,26)/t13-,14+;
    JUPGTZUCOQORPY-OKILXGFUSA-N    		 N[S](=O)(=O)c1ccc(OC[CH](O)C[Te]C[CH](O)
    COc2ccc(cc2)[S](N)(=O)=O)cc1; c1cc(ccc1O
    CC(C[Te]CC(COc2ccc(cc2)S(N)(=O)=O)O)O)S(
    N)(=O)=O; c1cc(ccc1OC[C@H](C[Te]C[C@H](C
    Oc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N; N[
    S](=O)(=O)c1ccc(OC[C@H](O)C[Te]C[C@H](O)
    COc2ccc(cc2)[S](N)(=O)=O)cc1; c1cc(ccc1O
    CC(C[Te]CC(COc2ccc(cc2)S(=O)(=O)N)O)O)S(
    =O)(=O)N    		 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide
    31961 OJ5
    CHEMBL3393355
    ZINC000210733407    		 2 C16 H15 Cl N4 O InChI=1S/C16H15ClN4O/c17-
    12-3-1-2-11(8-12)13-9-18-
    15-14(13)16(20-10-19-15)2
    1-4-6-22-7-5-21/h1-3,8-10
    H,4-7H2,(H,18,19,20);
    ONFLVQULIQDDSN-UHFFFAOYSA-N    		 Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23;
    c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4    		 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
    31962 OJ6 1 C6 H12 O4 InChI=1S/C6H12O4/c7-3-1-2
    -4(8)6(10)5(3)9/h3-10H,1-
    2H2/t3-,4+,5-,6-/m0/s1;
    WESBWDZFWNIVRV-FSIIMWSLSA-N    		 O[C@@H]1CC[C@H](O)[C@H](O)[C@H]1O; C1C[C
    @@H]([C@@H]([C@H]([C@@H]1O)O)O)O; C1CC(C
    (C(C1O)O)O)O; O[CH]1CC[CH](O)[CH](O)[CH]
    1O; OC1CCC(O)C(O)C1O    		 (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol
    31963 OJ7
    ZINC000001397491    		 2 C15 H10 Cl F3 N2 InChI=1S/C15H10ClF3N2/c1-
    8-13(10-4-2-3-5-12(10)21-
    8)14-11(16)6-9(7-20-14)15
    (17,18)19/h2-7,21H,1H3;
    DFUZKSKLYCWMQD-UHFFFAOYSA-N    		 Cc1[nH]c2ccccc2c1c3ncc(cc3Cl)C(F)(F)F; C
    c1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl
    ; c31c(nc(c1c2c(Cl)cc(cn2)C(F)(F)F)C)ccc
    c3    		 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole
    31964 OJ8
    ZINC000066166398    		 2 C25 H22 N2 O3 InChI=1S/C25H22N2O3/c28-2
    4(25-27-16-23(30-25)22-8-
    4-5-13-26-22)19-10-9-18-1
    5-21(12-11-17(18)14-19)29
    -20-6-2-1-3-7-20/h1-8,11-
    13,15-16,19,24,28H,9-10,1
    4H2/t19-,24-/m0/s1;
    HNDDBEODXBNDLJ-CYFREDJKSA-N    		 c1ccc(cc1)Oc2ccc3c(c2)CCC(C3)C(c4ncc(o4)
    c5ccccn5)O; n5c(c1oc(nc1)C(O)C4Cc3ccc(Oc
    2ccccc2)cc3CC4)cccc5; O[C@@H]([C@H]1CCc2
    cc(Oc3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5; c
    1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H](
    c4ncc(o4)c5ccccn5)O; O[CH]([CH]1CCc2cc(O
    c3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5    		 (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
    31965 OJ9 1 C19 H13 Cl N2 O2 InChI=1S/C19H13ClN2O2/c20
    -15-7-12-5-6-24-19(12)14(
    8-15)9-18(23)22-17-11-21-
    10-13-3-1-2-4-16(13)17/h1
    -8,10-11H,9H2,(H,22,23);
    BSHOYSAYHBYYEY-UHFFFAOYSA-N    		 c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3occ4)Cl
    ; Clc1cc(CC(=O)Nc2cncc3ccccc23)c4occc4c1
    ; Clc1cc2ccoc2c(c1)CC(=O)Nc1cncc2ccccc21    		 2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide
    31966 OJA
    CHEMBL4280125
    ZINC000263620729    		 6 C28 H38 F N5 InChI=1S/C28H38FN5/c1-21(
    2)33-16-14-32(15-17-33)13
    -10-30-25-8-11-34(12-9-25
    )26-5-3-4-22(19-26)28-20-
    23-18-24(29)6-7-27(23)31-
    28/h3-7,18-21,25,30-31H,8
    -17H2,1-2H3;
    LZHXZCVDLATFAR-UHFFFAOYSA-N    		 CC(C)N1CCN(CCNC2CCN(CC2)c3cccc(c3)c4[nH]
    c5ccc(F)cc5c4)CC1; CC(C)N1CCN(CC1)CCNC2C
    CN(CC2)c3cccc(c3)c4cc5cc(ccc5[nH]4)F    		 1-(3-(5-FLUORO-1H-INDOL-2-YL)PHENYL)PIPERIDIN-4-YL)(2-(4-ISOPROPYL-PIPERAZIN1-YL)ETHYL)-CARBAMATE
    31967 OJB 1 C19 H35 N3 O8 InChI=1S/C19H35N3O8/c1-3-
    14(25)20-8-6-9-21-15(26)7
    -4-5-10-29-19-16(22-12(2)
    24)18(28)17(27)13(11-23)3
    0-19/h13,16-19,23,27-28H,
    3-11H2,1-2H3,(H,20,25)(H,
    21,26)(H,22,24)/t13-,16-,
    17+,18-,19-/m1/s1;
    IKUNNZGUTWUXRA-LQDZTQBFSA-N    		 CCC(=O)NCCCNC(=O)CCCCO[C@H]1[C@@H]([C@H]
    ([C@H]([C@H](O1)CO)O)O)NC(=O)C; CCC(=O)N
    CCCNC(=O)CCCCO[CH]1O[CH](CO)[CH](O)[CH](
    O)[CH]1NC(C)=O; CCC(=O)NCCCNC(=O)CCCCO[C
    @@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(
    C)=O; CCC(=O)NCCCNC(=O)CCCCOC1C(C(C(C(O1
    )CO)O)O)NC(=O)C    		 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide
    31968 OJC 35 C15 H21 N5 O13 P2 InChI=1S/C15H21N5O13P2/c1
    6-12-7-13(18-3-17-12)20(4
    -19-7)14-10(23)11-6(30-14
    )2-29-35(26,27)33-34(24,2
    5)28-1-5-8(21)9(22)15(31-
    5)32-11/h3-6,8-11,14-15,2
    1-23H,1-2H2,(H,24,25)(H,2
    6,27)(H2,16,17,18)/t5-,6-
    ,8-,9-,10-,11-,14-,15+/m1
    /s1;
    NDSLKXAJVDJCEG-ZQSHOCFMSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O
    [P](O)(=O)OC[CH]5O[CH](O[CH]4[CH]3O)[CH]
    (O)[CH]5O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H
    ]([C@H]4[C@H](O3)COP(=O)(OP(=O)(OC[C@@H]
    5[C@H]([C@H]([C@@H](O5)O4)O)O)O)O)O)N; c
    1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OP(=
    O)(OCC5C(C(C(O5)O4)O)O)O)O)O)N; Nc1ncnc2
    c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC2
    C1O)C(O)C3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@
    @H]4CO[P](O)(=O)O[P](O)(=O)OC[C@H]5O[C@@
    H](O[C@H]4[C@H]3O)[C@H](O)[C@@H]5O    		 (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione
    31969 OJD 5 C12 H15 N O InChI=1S/C12H15NO/c14-12-
    8-11(9-13-12)7-6-10-4-2-1
    -3-5-10/h1-5,11H,6-9H2,(H
    ,13,14)/t11-/m1/s1;
    HSOKCKRDVRKPGT-LLVKDONJSA-N    		 O=C1C[C@@H](CCc2ccccc2)CN1; c1ccc(cc1)CC
    [C@@H]2CC(=O)NC2; O=C1C[CH](CCc2ccccc2)C
    N1; c1ccc(cc1)CCC2CC(=O)NC2; O=C2NCC(CCc
    1ccccc1)C2    		 (4R)-4-(2-phenylethyl)pyrrolidin-2-one
    31970 OJF 1 C73 H131 N7 O12 S InChI=1S/C73H131N7O12S/c1
    -4-7-10-13-16-19-22-25-28
    -31-34-37-40-50-66(83)77-
    65(73(90)80-64(55-82)72(8
    9)79-63(54-81)71(88)78-62
    (69(75)86)49-45-46-53-76-
    70(87)60-47-43-44-48-61(6
    0)74)58-93-57-59(92-68(85
    )52-42-39-36-33-30-27-24-
    21-18-15-12-9-6-3)56-91-6
    7(84)51-41-38-35-32-29-26
    -23-20-17-14-11-8-5-2/h43
    -44,47-48,59,62-65,81-82H
    ,4-42,45-46,49-58,74H2,1-
    3H3,(H2,75,86)(H,76,87)(H
    ,77,83)(H,78,88)(H,79,89)
    (H,80,90)/t59-,62-,63-,64
    -,65+/m1/s1;
    NZIMERKBZFHPKN-KURQGRNGSA-N    		 CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCC
    CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC
    (CO)C(=O)NC(CO)C(=O)NC(CCCCNC(=O)c1ccccc
    1N)C(=O)N; CCCCCCCCCCCCCCCC(=O)N[C@@H](C
    SC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC
    CCCCCCCCCCCCC)C(=O)N[C@H](CO)C(=O)N[C@H]
    (CO)C(=O)N[C@H](CCCCNC(=O)c1ccccc1N)C(=O
    )N; CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](CO
    C(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
    CC)C(=O)N[CH](CO)C(=O)N[CH](CO)C(=O)N[CH
    ](CCCCNC(=O)c1ccccc1N)C(N)=O; CCCCCCCCCC
    CCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCC
    CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[
    C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCCCN
    C(=O)c1ccccc1N)C(N)=O    		 [(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
    31971 OJG 1 C16 H21 N3 O2 InChI=1S/C16H21N3O2/c20-1
    2-14-11-18-15(19-14)8-4-5
    -9-17-16(21)10-13-6-2-1-3
    -7-13/h1-3,6-7,11,20H,4-5
    ,8-10,12H2,(H,17,21)(H,18
    ,19);
    NWJHGXOXPDGAJH-UHFFFAOYSA-N    		 c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO; C(C
    NC(=O)Cc1ccccc1)CCc2ncc(CO)n2; OCc1[nH]c
    (CCCCNC(=O)Cc2ccccc2)nc1    		 N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide
    31972 OJH
    CHEMBL4589592    		 1 C20 H25 Br N4 O5 S InChI=1S/C20H25BrN4O5S/c1
    -12-7-8-24(10-12)31(29,30
    )16-9-14(5-6-15(16)21)22-
    17(26)11-25-18(27)20(2,13
    -3-4-13)23-19(25)28/h5-6,
    9,12-13H,3-4,7-8,10-11H2,
    1-2H3,(H,22,26)(H,23,28)/
    t12-,20+/m0/s1;
    XHAYAQCABOVSNX-FKIZINRSSA-N    		 C[C@H]1CCN(C1)[S](=O)(=O)c2cc(NC(=O)CN3C
    (=O)N[C@](C)(C4CC4)C3=O)ccc2Br; CC1CCN(C
    1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)C(N
    C3=O)(C)C4CC4; C[CH]1CCN(C1)[S](=O)(=O)c
    2cc(NC(=O)CN3C(=O)N[C](C)(C4CC4)C3=O)ccc
    2Br; C[C@H]1CCN(C1)S(=O)(=O)c2cc(ccc2Br)
    NC(=O)CN3C(=O)[C@@](NC3=O)(C)C4CC4    		 ~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
    31973 OJI
    CHEMBL1651367
    ZINC000040442819    		 0 C10 H13 N5 O4 InChI=1S/C10H13N5O4/c11-1
    0-12-1-4-8(14-10)15(3-13-
    4)9-7(18)6(17)5(2-16)19-9
    /h1,3,5-7,9,16-18H,2H2,(H
    2,11,12,14)/t5-,6-,7-,9-/
    m1/s1;
    JVOJULURLCZUDE-JXOAFFINSA-N    		 c1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O; N
    c1ncc2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2
    n1; c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@
    @H]([C@H](O3)CO)O)O; Nc1ncc2ncn([C@@H]3O
    [C@H](CO)[C@@H](O)[C@H]3O)c2n1    		 (2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    31974 OJJ 1 C17 H23 N3 O3 InChI=1S/C17H23N3O3/c1-23
    -17(22)20(12-14-7-3-2-4-8
    -14)10-6-5-9-16-18-11-15(
    13-21)19-16/h2-4,7-8,11,2
    1H,5-6,9-10,12-13H2,1H3,(
    H,18,19);
    GXQBRZBQKFIKRS-UHFFFAOYSA-N    		 COC(=O)N(CCCCc1[nH]cc(CO)n1)Cc2ccccc2; O
    Cc2cnc(CCCCN(Cc1ccccc1)C(OC)=O)n2; COC(=
    O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2    		 methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
    31975 OJK 1 C7 H8 Cl N O2 InChI=1S/C7H8ClNO2/c8-5-2
    -6(10)4(3-9)1-7(5)11/h1-2
    ,10-11H,3,9H2;
    HHRDPHVERPGLEM-UHFFFAOYSA-N    		 NCc1cc(O)c(Cl)cc1O; c1c(c(cc(c1O)Cl)O)CN 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
    31976 OJL 1 C32 H34 F3 N5 O4 InChI=1S/C32H34F3N5O4/c1-
    5-39-10-12-40(13-11-39)18
    -22-8-9-23(15-25(22)32(33
    ,34)35)38-30(41)21-7-6-20
    (2)27(14-21)44-31-24-16-2
    8(42-3)29(43-4)17-26(24)3
    6-19-37-31/h6-9,14-17,19H
    ,5,10-13,18H2,1-4H3,(H,38
    ,41);
    AMHWQBGAKJESFB-UHFFFAOYSA-N    		 CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4nc
    nc5cc(OC)c(OC)cc45)c3)cc2C(F)(F)F; CCN1C
    CN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5cc(OC)
    c(OC)cc54)c3)cc2C(F)(F)F)CC1; CCN1CCN(CC
    1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc
    4c5cc(c(cc5ncn4)OC)OC)C    		 3-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide
    31977 OJM 1 C9 H14 N2 O3 InChI=1S/C9H14N2O3/c1-2-1
    4-9(13)4-3-8-10-5-7(6-12)
    11-8/h5,12H,2-4,6H2,1H3,(
    H,10,11);
    VCUVTHVKVNCVGZ-UHFFFAOYSA-N    		 CCOC(=O)CCc1[nH]cc(n1)CO; c1c(nc(CCC(=O)
    OCC)n1)CO; CCOC(=O)CCc1[nH]cc(CO)n1    		 ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate
    31978 OJN 2 C29 H33 N5 O2 S InChI=1S/C29H33N5O2S/c1-3
    6-27-12-9-21(23-5-3-4-6-2
    4(23)27)18-33-15-13-26-25
    (19-33)28(32-34(26)16-14-
    30)29(35)31-17-20-7-10-22
    (37-2)11-8-20/h3-12H,13-1
    9,30H2,1-2H3,(H,31,35);
    STRRFWBWQPHLDR-UHFFFAOYSA-N    		 COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O
    )NCc5ccc(cc5)SC)C3; COc1ccc(CN2CCc3n(CCN
    )nc(C(=O)NCc4ccc(SC)cc4)c3C2)c5ccccc15    		 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide;
    1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
    31979 OJO 1 C13 H17 Cl N2 O2 InChI=1S/C13H17ClN2O2/c1-
    10(17)16-4-2-15(3-5-16)9-
    11-6-12(14)8-13(18)7-11/h
    6-8,18H,2-5,9H2,1H3;
    CZIBGCQCFNYACK-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)Cc2cc(O)cc(Cl)c2; CC(=O)
    N1CCN(Cc2cc(Cl)cc(O)c2)CC1; CC(=O)N1CCN(
    CC1)Cc2cc(cc(c2)Cl)O    		 1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one
    31980 OJP 1 C11 H17 N3 O2 InChI=1S/C11H17N3O2/c1-2-
    11(16)12-6-4-3-5-10-13-7-
    9(8-15)14-10/h2,7,15H,1,3
    -6,8H2,(H,12,16)(H,13,14);
    MRXPIIRFCTXJFT-UHFFFAOYSA-N    		 C=CC(=O)NCCCCc1[nH]cc(n1)CO; c1c(nc(CCCC
    NC(/C=C)=O)n1)CO; OCc1c[nH]c(CCCCNC(=O)C
    =C)n1    		 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide
    31981 OJQ 6 C11 H15 N3 O7 P InChI=1S/C11H14N3O7P/c1-6
    -10(15)8(3-13-9-5-20-14-1
    1(9)16)7(2-12-6)4-21-22(1
    7,18)19/h2,5,13,15H,3-4H2
    ,1H3,(H,14,16)(H2,17,18,1
    9)/p+1;
    PXWFNGNWQUPGPJ-UHFFFAOYSA-O    		 Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O
    )O; Cc1ncc(CO[P](O)(O)=O)c(C[NH2+]c2conc
    2O)c1O    		 [2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium
    31982 OJR 1 C24 H31 N7 O2 S InChI=1S/C24H31N7O2S/c25-
    34(32,33)23-20(15-16-7-11
    -26-12-8-16)5-6-21(22(23)
    24-28-30-31-29-24)19-3-1-
    17(2-4-19)18-9-13-27-14-1
    0-18/h1-6,16,18,26-27H,7-
    15H2,(H2,25,32,33)(H,28,2
    9,30,31);
    LHOHTNKBXFSQBC-UHFFFAOYSA-N    		 NS(=O)(=O)c1c(ccc(c1c1nnn[NH]1)c1ccc(cc1
    )C1CCNCC1)CC1CCNCC1; N[S](=O)(=O)c1c(CC2
    CCNCC2)ccc(c3ccc(cc3)C4CCNCC4)c1c5[nH]nn
    n5; c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(
    =O)N)CC4CCNCC4)C5CCNCC5    		 (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
    31983 OJT
    CHEMBL4755111    		 2 C36 H36 Cl2 N4 O5 S InChI=1S/C36H36Cl2N4O5S/c
    1-22-26(11-12-28(32(22)38
    )46-18-17-42-15-13-41(2)1
    4-16-42)30-31-34(47-29(36
    (43)44)20-23-7-4-5-10-27(
    23)45-3)39-21-40-35(31)48
    -33(30)24-8-6-9-25(37)19-
    24/h4-12,19,21,29H,13-18,
    20H2,1-3H3,(H,43,44)/t29-
    /m1/s1;
    ZDIFLDSDDULOSG-GDLZYMKVSA-N    		 Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4
    sc3c5cccc(c5)Cl)OC(Cc6ccccc6OC)C(=O)O; C
    Oc1ccccc1C[C@@H](Oc2ncnc3sc(c4cccc(Cl)c4
    )c(c5ccc(OCCN6CCN(C)CC6)c(Cl)c5C)c23)C(O
    )=O; Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(
    ncnc4sc3c5cccc(c5)Cl)O[C@H](Cc6ccccc6OC)
    C(=O)O; COc1ccccc1C[CH](Oc2ncnc3sc(c4ccc
    c(Cl)c4)c(c5ccc(OCCN6CCN(C)CC6)c(Cl)c5C)
    c23)C(O)=O    		 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid
    31984 OJU 0 C18 H33 Cl N5 O12 P2 InChI=1S/C18H32ClN5O12P2/
    c1-24(2,7-3-5-21-14(25)10
    -19)8-9-33-37(29,30)36-38
    (31,32)34-11-12-15(26)16(
    27)17(35-12)23-6-4-13(20)
    22-18(23)28/h4,6,12,15-17
    ,26-27H,3,5,7-11H2,1-2H3,
    (H4-,20,21,22,25,28,29,30
    ,31,32)/p+1;
    WZACJIDOHFHVTD-UHFFFAOYSA-O    		 C[N+](C)(CCCNC(=O)CCl)CCO[P](O)(=O)O[P](
    O)(=O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N; C[
    N+](C)(CCCNC(=O)CCl)CCOP(=O)(O)OP(=O)(O)
    OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O    		 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium;
    Cytidine-diphosphate with a thiol-reactive chloroacetamide (cross-linker)
    31985 OJW
    CHEMBL4790822    		 1 C38 H38 Cl F N6 O6 S InChI=1S/C38H38ClFN6O6S/c
    1-23-26(8-9-28(34(23)39)4
    9-19-18-46-16-14-44(2)15-
    17-46)32-33-36(41-22-42-3
    7(33)53-35(32)29-10-11-31
    (40)51-29)52-30(38(47)48)
    20-24-6-4-5-7-27(24)50-21
    -25-12-13-43-45(25)3/h4-1
    3,22,30H,14-21H2,1-3H3,(H
    ,47,48)/t30-/m1/s1;
    AQVKIYGPKKZICS-SSEXGKCCSA-N    		 Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4
    sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7C
    )C(=O)O; Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3
    c4c(ncnc4sc3c5ccc(o5)F)OC(Cc6ccccc6OCc7c
    cnn7C)C(=O)O; CN1CCN(CCOc2ccc(c(C)c2Cl)c
    3c(sc4ncnc(O[C@H](Cc5ccccc5OCc6ccnn6C)C(
    O)=O)c34)c7oc(F)cc7)CC1; CN1CCN(CCOc2ccc
    (c(C)c2Cl)c3c(sc4ncnc(O[CH](Cc5ccccc5OCc
    6ccnn6C)C(O)=O)c34)c7oc(F)cc7)CC1    		 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid
    31986 OJX 4 C6 H7 N2 O3 InChI=1S/C6H6N2O3/c1-4-2-
    7-5(6(9)10)3-8(4)11/h2-3H
    ,1H3,(H-,7,9,10,11)/p+1;
    SVUSRFFHFGAVHH-UHFFFAOYSA-O    		 Cc1cnc(c[n+]1O)C(O)=O; Cc1cnc(c[n+]1O)C(
    =O)O    		 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid
    31987 OJY 0 C9 H15 N3 O3 InChI=1S/C9H15N3O3/c10-7(
    9(14)15)2-1-3-8-11-4-6(5-
    13)12-8/h4,7,13H,1-3,5,10
    H2,(H,11,12)(H,14,15)/t7-
    /m0/s1;
    LQZCDDAMPJTCPF-ZETCQYMHSA-N    		 c1c([nH]c(n1)CCCC(C(=O)O)N)CO; c1c([nH]c
    (n1)CCC[C@@H](C(=O)O)N)CO; C(c1nc(CO)cn1
    )CCC(C(=O)O)N; N[CH](CCCc1[nH]c(CO)cn1)C
    (O)=O; N[C@@H](CCCc1[nH]c(CO)cn1)C(O)=O    		 5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline
    31988 OK0 1 C19 H19 F3 N6 O2 S InChI=1S/C19H19F3N6O2S/c2
    0-19(21,22)15-6-5-14(16(1
    7(15)31(23,29)30)18-25-27
    -28-26-18)13-3-1-11(2-4-1
    3)12-7-9-24-10-8-12/h1-6,
    12,24H,7-10H2,(H2,23,29,3
    0)(H,25,26,27,28);
    IVCVEUVKOPZGEI-UHFFFAOYSA-N    		 N[S](=O)(=O)c1c(ccc(c2ccc(cc2)C3CCNCC3)c
    1c4[nH]nnn4)C(F)(F)F; c1cc(ccc1c2ccc(c(c
    2c3[nH]nnn3)S(=O)(=O)N)C(F)(F)F)C4CCNCC4
    ; FC(F)(F)c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]
    1)c1ccc(cc1)C1CCNCC1    		 (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide
    31989 OK1
    CHEMBL3634600
    ZINC000473158231    		 3 C15 H16 Cl N O5 InChI=1S/C15H16ClNO5/c16-
    10-6-11-13(7-12(10)21-8-9
    -2-1-3-9)22-15(20)17(11)5
    -4-14(18)19/h6-7,9H,1-5,8
    H2,(H,18,19);
    VZSAISDQEBTHJE-UHFFFAOYSA-N    		 c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O;
    OC(=O)CCN1C(=O)Oc2cc(OCC3CCC3)c(Cl)cc12    		 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
    31990 OK2
    CHEMBL4758300    		 1 C40 H38 Cl F N6 O5 S InChI=1S/C40H38ClFN6O5S/c
    1-25-30(11-12-32(36(25)41
    )51-20-19-48-17-15-47(2)1
    6-18-48)34-35-38(45-24-46
    -39(35)54-37(34)26-7-9-28
    (42)10-8-26)53-33(40(49)5
    0)21-27-5-3-4-6-31(27)52-
    23-29-22-43-13-14-44-29/h
    3-14,22,24,33H,15-21,23H2
    ,1-2H3,(H,49,50)/t33-/m1/
    s1;
    SADZXBZFMGZHNM-MGBGTMOVSA-N    		 Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4
    sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7cnccn
    7)C(=O)O; CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(s
    c4ncnc(O[CH](Cc5ccccc5OCc6cnccn6)C(O)=O)
    c34)c7ccc(F)cc7)CC1; Cc1c(ccc(c1Cl)OCCN2
    CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)OC(C
    c6ccccc6OCc7cnccn7)C(=O)O; CN1CCN(CCOc2c
    cc(c(C)c2Cl)c3c(sc4ncnc(O[C@H](Cc5ccccc5
    OCc6cnccn6)C(O)=O)c34)c7ccc(F)cc7)CC1    		 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid
    31991 OK3
    CHEMBL4461260    		 9 C17 H18 B N2 O6 InChI=1S/C17H18BN2O6/c19-
    9-10-4-6-11(7-5-10)16(21)
    20-14-8-12-2-1-3-13(17(22
    )23)15(12)26-18(14,24)25/
    h1-7,14,24-25H,8-9,19H2,(
    H,20,21)(H,22,23)/q-1/t14
    -/m0/s1;
    QLXKUYDHLJOWQG-AWEZNQCLSA-N    		 NCc1ccc(cc1)C(=O)N[C@H]2Cc3cccc(C(O)=O)c
    3O[B-]2(O)O; [B-]1(C(Cc2cccc(c2O1)C(=O)O
    )NC(=O)c3ccc(cc3)CN)(O)O; [B-]1([C@H](Cc
    2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)
    O; NCc1ccc(cc1)C(=O)N[CH]2Cc3cccc(C(O)=O
    )c3O[B-]2(O)O    		 (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
    31992 OK4 1 C19 H32 N6 O5 InChI=1S/C19H32N6O5/c1-10
    (2)16(17(20)28)25-19(30)1
    4(24-18(29)11(3)22-12(4)2
    7)6-5-7-15-21-8-13(9-26)2
    3-15/h8,10-11,14,16,26H,5
    -7,9H2,1-4H3,(H2,20,28)(H
    ,21,23)(H,22,27)(H,24,29)
    (H,25,30)/t11-,14-,16-/m0
    /s1;
    QZMKEXBPFOEOMP-PJODQICGSA-N    		 C(=O)(C)NC(C)C(=O)NC(C(=O)NC(C(N)=O)C(C)
    C)CCCc1nc(CO)cn1; CC(C)[C@H](NC(=O)[C@H]
    (CCCc1[nH]c(CO)cn1)NC(=O)[C@H](C)NC(C)=O
    )C(N)=O; CC(C)C(C(=O)N)NC(=O)C(CCCc1[nH]
    c(cn1)CO)NC(=O)C(C)NC(=O)C; C[C@@H](C(=O
    )N[C@@H](CCCc1[nH]c(cn1)CO)C(=O)N[C@@H](
    C(C)C)C(=O)N)NC(=O)C; CC(C)[CH](NC(=O)[C
    H](CCCc1[nH]c(CO)cn1)NC(=O)[CH](C)NC(C)=
    O)C(N)=O    		 N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide
    31993 OK5
    CHEMBL4788274    		 2 C47 H44 Cl F N6 O6 S InChI=1S/C47H44ClFN6O6S/c
    1-29-34(16-17-38(42(29)48
    )59-25-24-55-22-20-54(2)2
    1-23-55)40-41-45(51-28-52
    -46(41)62-43(40)30-12-14-
    32(49)15-13-30)61-39(47(5
    6)57)26-31-8-4-6-10-36(31
    )60-27-33-18-19-50-44(53-
    33)35-9-5-7-11-37(35)58-3
    /h4-19,28,39H,20-27H2,1-3
    H3,(H,56,57)/t39-/m1/s1;
    PKYIMGFMRFVOMB-LDLOPFEMSA-N    		 COc1ccccc1c2nccc(COc3ccccc3C[C@@H](Oc4nc
    nc5sc(c6ccc(F)cc6)c(c7ccc(OCCN8CCN(C)CC8
    )c(Cl)c7C)c45)C(O)=O)n2; Cc1c(ccc(c1Cl)O
    CCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)
    OC(Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)C(=O)
    O; COc1ccccc1c2nccc(COc3ccccc3C[CH](Oc4n
    cnc5sc(c6ccc(F)cc6)c(c7ccc(OCCN8CCN(C)CC
    8)c(Cl)c7C)c45)C(O)=O)n2; Cc1c(ccc(c1Cl)
    OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F
    )O[C@H](Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)
    C(=O)O    		 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
    31994 OK6
    CHEMBL5204143    		 2 C27 H29 N9 O13 P2 InChI=1S/C27H29N9O13P2/c2
    8-21-15-12(11-4-2-1-3-5-1
    1)6-35(22(15)31-9-30-21)2
    5-18(38)19-14(47-25)8-45-
    51(42,43)49-20-17(37)13(7
    -44-50(40,41)48-19)46-26(
    20)36-10-32-16-23(36)33-2
    7(29)34-24(16)39/h1-6,9-1
    0,13-14,17-20,25-26,37-38
    H,7-8H2,(H,40,41)(H,42,43
    )(H2,28,30,31)(H3,29,33,3
    4,39)/t13-,14-,17-,18-,19
    -,20-,25-,26-/m1/s1;
    FBIPVHNFXGBUQO-RTZOWOBBSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)
    (=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)
    O[CH]3[CH]4O)n6cc(c7ccccc7)c8c(N)ncnc68;
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[
    P](O)(=O)O[C@H]5[C@@H](O)[C@@H](O[C@@H]5
    CO[P](O)(=O)O[C@@H]3[C@@H]4O)n6cc(c7cccc
    c7)c8c(N)ncnc68; c1ccc(cc1)c2cn(c3c2c(nc
    n3)N)C4C(C5C(O4)COP(=O)(OC6C(C(COP(=O)(O
    5)O)OC6n7cnc8c7N=C(NC8=O)N)O)O)O; c1ccc(
    cc1)c2cn(c3c2c(ncn3)N)[C@H]4[C@@H]([C@H]
    5[C@H](O4)COP(=O)(O[C@@H]6[C@@H]([C@@H](
    COP(=O)(O5)O)O[C@H]6n7cnc8c7N=C(NC8=O)N)
    O)O)O    		 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one;
    2',3'-cyclic-GMP-7-deazaphenyl-AMP
    31995 OK7
    ZINC000000281105    		 2 C6 H7 N O S InChI=1S/C6H7NOS/c1-5(8)7
    -6-3-2-4-9-6/h2-4H,1H3,(H
    ,7,8);
    FSATURPVOMZWBY-UHFFFAOYSA-N    		 CC(=O)Nc1sccc1; CC(=O)Nc1cccs1 N-(thiophen-2-yl)acetamide
    31996 OK8
    ZINC000004096553    		 5 C13 H19 N4 O12 P InChI=1S/C13H19N4O12P/c14
    -10-7(11(22)16-4(13(23)24
    )1-6(18)19)15-3-17(10)12-
    9(21)8(20)5(29-12)2-28-30
    (25,26)27/h3-5,8-9,12,20-
    21H,1-2,14H2,(H,16,22)(H,
    18,19)(H,23,24)(H2,25,26,
    27)/t4-,5+,8+,9+,12+/m0/s
    1;
    NAQGHJTUZRHGAC-ZZZDFHIKSA-N    		 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO
    P(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=
    O)O; Nc1n(cnc1C(=O)N[CH](CC(O)=O)C(O)=O)
    [CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;
    Nc1n(cnc1C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@
    @H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2
    O; c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N
    )C(=O)NC(CC(=O)O)C(=O)O    		 (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid;
    SAICAR
    31997 OK9 1 C16 H16 N2 O3 S2 InChI=1S/C16H16N2O3S2/c19
    -11-12(17-16(20)14-2-1-9-
    22-14)10-13-3-4-15(23-13)
    18-5-7-21-8-6-18/h1-4,9-1
    1H,5-8H2,(H,17,20)/b12-10
    -;
    KZHJLIYVOMIHCX-BENRWUELSA-N    		 O=CC(/NC(=O)c1sccc1)=C/c2sc(cc2)N3CCOCC3
    ; O=CC(NC(=O)c1sccc1)=Cc2sc(cc2)N3CCOCC3
    ; c1cc(sc1)C(=O)N/C(=C\c2ccc(s2)N3CCOCC3
    )/C=O; c1cc(sc1)C(=O)NC(=Cc2ccc(s2)N3CCO
    CC3)C=O; O=C\C(NC(=O)c1cccs1)=C\c1ccc(s1
    )N1CCOCC1    		 N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
    31998 OKA
    CHEMBL280487
    DB02169
    ZINC000085601542    		 4 C44 H68 O13 InChI=1S/C44H68O13/c1-25-
    21-34(55-44(23-25)35(46)1
    2-11-31(54-44)24-41(6,50)
    40(48)49)26(2)9-10-30-14-
    18-43(53-30)19-15-33-39(5
    7-43)36(47)29(5)38(52-33)
    32(45)22-28(4)37-27(3)13-
    17-42(56-37)16-7-8-20-51-
    42/h9-10,23,26-28,30-39,4
    5-47,50H,5,7-8,11-22,24H2
    ,1-4,6H3,(H,48,49)/b10-9+
    /t26-,27-,28+,30+,31+,32+
    ,33-,34+,35-,36-,37+,38+,
    39-,41-,42+,43-,44-/m1/s1;
    QNDVLZJODHBUFM-WFXQOWMNSA-N    		 C[CH]1CC[C]2(CCCCO2)O[CH]1[CH](C)C[CH](O
    )[CH]3O[CH]4CC[C]5(CC[CH](O5)C=C[CH](C)[
    CH]6CC(=C[C]7(O[CH](CC[CH]7O)C[C](C)(O)C
    (O)=O)O6)C)O[CH]4[CH](O)C3=C; C[C@@H]1CC
    [C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C
    @@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O
    4)CC[C@@H](O5)\C=C\[C@@H](C)[C@@H]6CC(=C
    [C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=
    O)O)O)O)C)O)O; CC1CCC2(CCCCO2)OC1C(C)CC(
    C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6
    CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O
    )O; C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H
    ](C)C[C@H](O)[C@H]3O[C@@H]4CC[C@@]5(CC[C
    @@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7
    (O[C@@H](CC[C@H]7O)C[C@@](C)(O)C(O)=O)O6
    )C)O[C@H]4[C@H](O)C3=C; O=C(O)C(O)(C)CC7
    OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)\C(=
    C)C(OC3CC2)C(O)CC(C5OC4(OCCCC4)CCC5C)C)C
    C6)C)C(O)CC7    		 OKADAIC ACID;
    9,10-DEEPITHIO-9,10-DIDEHYDROACANTHIFOLICIN
    31999 OKC 1 C18 H20 N6 O2 S InChI=1S/C18H20N6O2S/c19-
    27(25,26)16-3-1-2-15(17(1
    6)18-21-23-24-22-18)14-6-
    4-12(5-7-14)13-8-10-20-11
    -9-13/h1-7,13,20H,8-11H2,
    (H2,19,25,26)(H,21,22,23,
    24);
    JLWPVVFPXXZFHC-UHFFFAOYSA-N    		 c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(
    cc3)C4CCNCC4; N[S](=O)(=O)c1cccc(c2ccc(c
    c2)C3CCNCC3)c1c4[nH]nnn4; NS(=O)(=O)c1cc
    cc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1    		 (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
    32000 OKD
    CHEMBL1234976
    ZINC000058633045    		 1 C24 H41 N5 O12 InChI=1S/C24H41N5O12/c1-3
    7-8-9-38-10-11-39-12-13-4
    0-14-15-41-17-18-16-29(28
    -27-18)7-3-2-4-19(22(32)3
    3)25-24(36)26-20(23(34)35
    )5-6-21(30)31/h16,19-20H,
    2-15,17H2,1H3,(H,30,31)(H
    ,32,33)(H,34,35)(H2,25,26
    ,36)/t19-,20-/m0/s1;
    USQOBCXXBZGYAH-PMACEKPBSA-N    		 COCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@
    @H](CCC(O)=O)C(O)=O)C(O)=O)nn1; O=C(O)C(
    NC(=O)NC(C(=O)O)CCCCn1nnc(c1)COCCOCCOCCO
    CCOC)CCC(=O)O; COCCOCCOCCOCCOCc1cn(nn1)C
    CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)
    C(=O)O; COCCOCCOCCOCCOCc1cn(CCCC[CH](NC(
    =O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)nn1; COC
    COCCOCCOCCOCc1cn(nn1)CCCCC(C(=O)O)NC(=O)
    NC(CCC(=O)O)C(=O)O    		 N-({(1S)-1-CARBOXY-5-[4-(2,5,8,11,14-PENTAOXAPENTADEC-1-YL)-1H-1,2,3-TRIAZOL-1-YL]PENTYL}CARBAMOYL)-L-GLUTAMIC ACID
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • 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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