SEQ2FUN

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

  • Click # to view 2D diagram of the ligand.
  • 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 ";".

    • << < 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 > >>
    Go to page
    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    17601 A1L43 4 C21 H28 N O5 P InChI=1S/C21H28NO5P/c23-2
    1(16-15-20(28(25,26)27)19
    -13-7-2-8-14-19)22(24)17-
    9-3-6-12-18-10-4-1-5-11-1
    8/h1-2,4-5,7-8,10-11,13-1
    4,20,24H,3,6,9,12,15-17H2
    ,(H2,25,26,27)/t20-/m0/s1;
    AANJIYFRFCIZKZ-FQEVSTJZSA-N    		 c1ccc(cc1)CCCCCN(C(=O)CCC(c2ccccc2)P(=O)
    (O)O)O; c1ccc(cc1)CCCCCN(C(=O)CC[C@@H](c
    2ccccc2)P(=O)(O)O)O; ON(CCCCCc1ccccc1)C(
    =O)CC[CH](c2ccccc2)[P](O)(O)=O; ON(CCCCC
    c1ccccc1)C(=O)CC[C@@H](c2ccccc2)[P](O)(O
    )=O    		 [(1~{S})-4-oxidanylidene-4-[oxidanyl(5-phenylpentyl)amino]-1-phenyl-butyl]phosphonic acid
    17602 A1L44 2 C20 H26 N O5 P InChI=1S/C20H26NO5P/c1-16
    -9-11-17(12-10-16)6-5-15-
    21(23)20(22)14-13-19(27(2
    4,25)26)18-7-3-2-4-8-18/h
    2-4,7-12,19,23H,5-6,13-15
    H2,1H3,(H2,24,25,26)/t19-
    /m0/s1;
    AUSLCTOGLASKDK-IBGZPJMESA-N    		 Cc1ccc(cc1)CCCN(C(=O)CC[C@@H](c2ccccc2)P
    (=O)(O)O)O; Cc1ccc(cc1)CCCN(C(=O)CCC(c2c
    cccc2)P(=O)(O)O)O; Cc1ccc(CCCN(O)C(=O)CC
    [CH](c2ccccc2)[P](O)(O)=O)cc1; Cc1ccc(CC
    CN(O)C(=O)CC[C@@H](c2ccccc2)[P](O)(O)=O)
    cc1    		 [(1~{S})-4-[3-(4-methylphenyl)propyl-oxidanyl-amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid
    17603 A1L45 2 C20 H26 N O6 P InChI=1S/C20H26NO6P/c1-27
    -18-11-9-16(10-12-18)6-5-
    15-21(23)20(22)14-13-19(2
    8(24,25)26)17-7-3-2-4-8-1
    7/h2-4,7-12,19,23H,5-6,13
    -15H2,1H3,(H2,24,25,26)/t
    19-/m0/s1;
    YVQMUBYZMYMZEU-IBGZPJMESA-N    		 COc1ccc(cc1)CCCN(C(=O)CCC(c2ccccc2)P(=O)
    (O)O)O; COc1ccc(CCCN(O)C(=O)CC[CH](c2ccc
    cc2)[P](O)(O)=O)cc1; COc1ccc(CCCN(O)C(=O
    )CC[C@@H](c2ccccc2)[P](O)(O)=O)cc1; COc1
    ccc(cc1)CCCN(C(=O)CC[C@@H](c2ccccc2)P(=O
    )(O)O)O    		 [(1~{S})-4-[3-(4-methoxyphenyl)propyl-oxidanyl-amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid
    17604 A1L46 10 C16 H16 N2 O6 InChI=1S/C16H16N2O6/c19-1
    2(20)5-6-16(15(23)24)13-9
    (7-11(18-16)14(21)22)8-3-
    1-2-4-10(8)17-13/h1-4,11,
    17-18H,5-7H2,(H,19,20)(H,
    21,22)(H,23,24)/t11-,16-/
    m0/s1;
    ZSFFNSLTDHOYOC-ZBEGNZNMSA-N    		 OC(=O)CC[C@@]1(N[C@@H](Cc2c1[nH]c3ccccc2
    3)C(O)=O)C(O)=O; c1ccc2c(c1)c3c([nH]2)C(
    NC(C3)C(=O)O)(CCC(=O)O)C(=O)O; c1ccc2c(c
    1)c3c([nH]2)[C@@](N[C@@H](C3)C(=O)O)(CCC
    (=O)O)C(=O)O; OC(=O)CC[C]1(N[CH](Cc2c1[n
    H]c3ccccc23)C(O)=O)C(O)=O    		 (1~{S},3~{S})-1-(3-hydroxy-3-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3-dicarboxylic acid
    17605 A1L47 3 C22 H19 N5 O3 S InChI=1S/C22H19N5O3S/c23-
    19-8-4-5-9-20(19)24-22(28
    )17-12-10-16(11-13-17)21-
    14-27(26-25-21)15-31(29,3
    0)18-6-2-1-3-7-18/h1-14H,
    15,23H2,(H,24,28);
    SOJIATBITBDKBA-UHFFFAOYSA-N    		 Nc1ccccc1NC(=O)c2ccc(cc2)c3cn(C[S](=O)(=
    O)c4ccccc4)nn3; c1ccc(cc1)S(=O)(=O)Cn2cc
    (nn2)c3ccc(cc3)C(=O)Nc4ccccc4N    		 N-(2-aminophenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamide;
    ~{N}-(2-aminophenyl)-4-[1-(phenylsulfonylmethyl)-1,2,3-triazol-4-yl]benzamide
    17606 A1L4A 1 C23 H22 N2 O5 InChI=1S/C23H22N2O5/c1-13
    -16(22(28)21-18(26)5-4-6-
    19(21)27)11-12-17-20(13)2
    3(29)25(24(17)2)14-7-9-15
    (30-3)10-8-14/h7-12,26H,4
    -6H2,1-3H3;
    BLFYOOFXNSCKPF-UHFFFAOYSA-N    		 Cc1c(ccc2c1C(=O)N(N2C)c3ccc(cc3)OC)C(=O)
    C4=C(CCCC4=O)O; COc1ccc(cc1)N2N(C)c3ccc(
    c(C)c3C2=O)C(=O)C4=C(O)CCCC4=O    		 2-(4-methoxyphenyl)-1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-indazol-3-one
    17607 A1L4B 0 C5 H8 N2 O4 InChI=1S/C5H8N2O4/c6-3(5(
    9)10)1-2-4(8)7-11/h3H,1-2
    ,6H2,(H,9,10)/t3-/m0/s1;
    ITZUSDQPEVIPDK-VKHMYHEASA-N    		 N[C@@H](CCC(=O)N=O)C(O)=O; N[CH](CCC(=O)
    N=O)C(O)=O; C(CC(=O)N=O)C(C(=O)O)N; C(CC
    (=O)N=O)[C@@H](C(=O)O)N    		 (2S)-2-azanyl-5-nitroso-5-oxidanylidene-pentanoic acid
    17608 A1L4C
    CHEMBL5823273    		 1 C27 H30 N8 O InChI=1S/C27H30N8O/c1-2-3
    5-17-24(26(32-35)20-4-3-1
    0-28-16-20)25-9-11-29-27(
    31-25)30-21-5-7-22(8-6-21
    )33-12-14-34(15-13-33)23-
    18-36-19-23/h3-11,16-17,2
    3H,2,12-15,18-19H2,1H3,(H
    ,29,30,31);
    WDBAIPMUEUJXOZ-UHFFFAOYSA-N    		 CCn1cc(c2ccnc(Nc3ccc(cc3)N4CCN(CC4)C5COC
    5)n2)c(n1)c6cccnc6; CCn1cc(c(n1)c2cccnc2
    )c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C6COC6    		 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
    17609 A1L4D
    CHEMBL22685    		 0 C16 H15 N O3 InChI=1S/C16H15NO3/c18-15
    (13-9-5-2-6-10-13)17-14(1
    6(19)20)11-12-7-3-1-4-8-1
    2/h1-10,14H,11H2,(H,17,18
    )(H,19,20)/t14-/m0/s1;
    NPKISZUVEBESJI-AWEZNQCLSA-N    		 OC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2; c1
    ccc(cc1)C[C@@H](C(=O)O)NC(=O)c2ccccc2; c
    1ccc(cc1)CC(C(=O)O)NC(=O)c2ccccc2; OC(=O
    )[CH](Cc1ccccc1)NC(=O)c2ccccc2    		 (2~{S})-2-benzamido-3-phenyl-propanoic acid
    17610 A1L4E 4 C13 H6 F7 N O2 InChI=1S/C13H6F7NO2/c14-8
    -7(13(18,19)20)9(15)11(17
    )12(10(8)16)23-6-2-1-4(21
    )3-5(6)22/h1-3,22H,21H2;
    XNVYOMVIMRCYCP-UHFFFAOYSA-N    		 c1cc(c(cc1N)O)Oc2c(c(c(c(c2F)F)C(F)(F)F)
    F)F; Nc1ccc(Oc2c(F)c(F)c(c(F)c2F)C(F)(F)
    F)c(O)c1    		 5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
    17611 A1L4F 4 C22 H23 F7 N2 O3 InChI=1S/C22H23F7N2O3/c23
    -17-16(22(27,28)29)18(24)
    20(26)21(19(17)25)34-15-5
    -4-13(12-14(15)32)30-6-2-
    1-3-7-31-8-10-33-11-9-31/
    h4-5,12,30,32H,1-3,6-11H2;
    XFQSUQKGMQJFSR-UHFFFAOYSA-N    		 c1cc(c(cc1NCCCCCN2CCOCC2)O)Oc3c(c(c(c(c3
    F)F)C(F)(F)F)F)F; Oc1cc(NCCCCCN2CCOCC2)c
    cc1Oc3c(F)c(F)c(c(F)c3F)C(F)(F)F    		 5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
    17612 A1L4H
    CHEMBL5201797    		 1 C28 H39 N3 O3 InChI=1S/C28H39N3O3/c1-20
    -15-25(10-7-24(20)18-31-1
    4-13-29-21(2)17-31)30(3)2
    8(33)23-8-11-26(12-9-23)3
    4-27-6-4-5-22(16-27)19-32
    /h4-7,10,15-16,21,23,26,2
    9,32H,8-9,11-14,17-19H2,1
    -3H3/t21-,23-,26-/m0/s1;
    XCVUPJBVKKACQB-KJOQGJGQSA-N    		 Cc1cc(ccc1CN2CCN[C@H](C2)C)N(C)C(=O)C3CC
    C(CC3)Oc4cccc(c4)CO; Cc1cc(ccc1CN2CCNC(C
    2)C)N(C)C(=O)C3CCC(CC3)Oc4cccc(c4)CO; C[
    C@H]1CN(CCN1)Cc2ccc(cc2C)N(C)C(=O)[C@@H]
    3CC[C@H](CC3)Oc4cccc(CO)c4; C[CH]1CN(CCN
    1)Cc2ccc(cc2C)N(C)C(=O)[CH]3CC[CH](CC3)O
    c4cccc(CO)c4    		 4-[3-(hydroxymethyl)phenoxy]-~{N}-methyl-~{N}-[3-methyl-4-[[(3~{S})-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;
    DS-3801b
    17613 A1L4O 10 C40 H56 O3 InChI=1S/C40H56O3/c1-30(1
    8-13-20-32(3)21-15-23-34(
    5)25-27-38(42)40(9,10)43)
    16-11-12-17-31(2)19-14-22
    -33(4)24-26-37-35(6)28-36
    (41)29-39(37,7)8/h11-27,3
    6,38,41-43H,28-29H2,1-10H
    3/b12-11+,18-13+,19-14+,2
    1-15-,26-24+,27-25-,30-16
    +,31-17+,32-20+,33-22+,34
    -23+/t36-,38+/m1/s1;
    JJPMVSRTRMLHST-CNFSYYPWSA-N    		 CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C
    [C@@H](O)CC1(C)C)\C=C\C=C(C)\C=C/C=C(C)/
    C=C\[C@H](O)C(C)(C)O; CC1=C(C(CC(C1)O)(C
    )C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=
    C(C)C=CC(C(C)(C)O)O)C)C; CC1=C(C(C[C@@H]
    (C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C
    )/C=C/C=C(\C)/C=C\C=C(/C)\C=C/[C@@H](C(C
    )(C)O)O)/C)/C; CC(=CC=CC=C(C)C=CC=C(C)C=
    CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC=C(
    C)C=C[CH](O)C(C)(C)O    		 (3~{S},4~{Z},6~{E},8~{Z},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol
    17614 A1L4S 1 C20 H22 N2 O5 InChI=1S/C20H22N2O5/c1-4-
    10-27-19-20(26)22(3)13-9-
    8-12(11(2)17(13)21-19)18(
    25)16-14(23)6-5-7-15(16)2
    4/h8-9,23H,4-7,10H2,1-3H3;
    GBDNDUJBQJBAOR-UHFFFAOYSA-N    		 CCCOC1=Nc2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCC
    C3=O)O)C; CCCOC1=Nc2c(C)c(ccc2N(C)C1=O)C
    (=O)C3=C(O)CCCC3=O    		 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propoxy-quinoxalin-2-one
    17615 A1L4U 0 C12 H17 N2 O10 P InChI=1S/C12H17N2O10P/c1-
    22-8(15)2-6-3-14(5-13-11(
    6)18)12-10(17)9(16)7(24-1
    2)4-23-25(19,20)21/h3,5,7
    ,9-10,12,16-17H,2,4H2,1H3
    ,(H2,19,20,21);
    FCZFXJJAOVKHCD-UHFFFAOYSA-N    		 COC(=O)CC1=CN(C=NC1=O)[CH]2O[CH](CO[P](O
    )(O)=O)[CH](O)[CH]2O; COC(=O)CC1=CN(C=NC
    1=O)C2C(C(C(O2)COP(=O)(O)O)O)O; COC(=O)C
    C1=CN(C=NC1=O)[C@@H]2O[C@H](CO[P](O)(O)=
    O)[C@@H](O)[C@H]2O; COC(=O)CC1=CN(C=NC1=
    O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O
    )O)O)O    		 methyl 2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-4-oxidanylidene-pyrimidin-5-yl]ethanoate;
    5-methoxycarbonylmethyl-2-deoxouridine
    17616 A1L4V 1 C18 H17 N3 O6 S InChI=1S/C18H17N3O6S/c1-1
    8(2,17(25)26)20-15(23)13-
    14(22)11-5-3-4-6-12(11)21
    (16(13)24)27-7-10-8-28-9-
    19-10/h3-6,8-9,22H,7H2,1-
    2H3,(H,20,23)(H,25,26);
    ZSGOHVBQHOCPMG-UHFFFAOYSA-N    		 CC(C)(NC(=O)C1=C(O)c2ccccc2N(OCc3cscn3)C
    1=O)C(O)=O; CC(C)(C(=O)O)NC(=O)C1=C(c2cc
    ccc2N(C1=O)OCc3cscn3)O    		 2-methyl-2-[[4-oxidanyl-2-oxidanylidene-1-(1,3-thiazol-4-ylmethoxy)quinolin-3-yl]carbonylamino]propanoic acid
    17617 A1L4W 4 C18 H22 N O5 P InChI=1S/C18H22NO5P/c20-1
    8(19(21)14-13-15-7-3-1-4-
    8-15)12-11-17(25(22,23)24
    )16-9-5-2-6-10-16/h1-10,1
    7,21H,11-14H2,(H2,22,23,2
    4)/t17-/m0/s1;
    WKIFTRBJCIJURK-KRWDZBQOSA-N    		 c1ccc(cc1)CCN(C(=O)CCC(c2ccccc2)P(=O)(O)
    O)O; ON(CCc1ccccc1)C(=O)CC[C@@H](c2ccccc
    2)[P](O)(O)=O; ON(CCc1ccccc1)C(=O)CC[CH]
    (c2ccccc2)[P](O)(O)=O; c1ccc(cc1)CCN(C(=
    O)CC[C@@H](c2ccccc2)P(=O)(O)O)O    		 [(1~{S})-4-oxidanylidene-4-[oxidanyl(2-phenylethyl)amino]-1-phenyl-butyl]phosphonic acid
    17618 A1L4X
    CHEMBL5432347    		 3 C26 H21 N5 O4 S InChI=1S/C26H21N5O4S/c27-
    22-13-12-20(25-7-4-14-35-
    25)15-23(22)28-26(32)19-1
    0-8-18(9-11-19)24-16-31(3
    0-29-24)17-36(33,34)21-5-
    2-1-3-6-21/h1-16H,17,27H2
    ,(H,28,32);
    XCJIKXQBHOGKHC-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)Cn2cc(nn2)c3ccc(cc3)C
    (=O)Nc4cc(ccc4N)c5ccco5; Nc1ccc(cc1NC(=O
    )c2ccc(cc2)c3cn(C[S](=O)(=O)c4ccccc4)nn3
    )c5occc5    		 N-(2-amino-5-(furan-2-yl)phenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamid;
    ~{N}-[2-azanyl-5-(furan-2-yl)phenyl]-4-[2-(phenylsulfonylmethyl)-1,2$l^{4},3-triazacyclopenta-2,4-dien-4-yl]benzamide
    17619 A1L4Z 1 C11 H13 N2 O9 P InChI=1S/C11H13N2O9P/c1-5
    -9(14)7(3-13-8(10(15)16)1
    1(17)18)6(2-12-5)4-22-23(
    19,20)21/h2-3,8,14H,4H2,1
    H3,(H,15,16)(H,17,18)(H2,
    19,20,21)/b13-3+;
    NZWIGLKAYRQNJI-QLKAYGNNSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C(=O)O)C(=
    O)O)O; Cc1ncc(CO[P](O)(O)=O)c(C=NC(C(O)=
    O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)/
    C=N/C(C(=O)O)C(=O)O)O    		 2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanedioic acid
    17620 A1L50 5 C24 H18 N2 O6 S InChI=1S/C24H18N2O6S/c27-
    22-14-20(33(30,31)32)13-1
    7-12-19(10-11-21(17)22)26
    -24(29)16-6-8-18(9-7-16)2
    5-23(28)15-4-2-1-3-5-15/h
    1-14,27H,(H,25,28)(H,26,2
    9)(H,30,31,32);
    JWCMUESZVPLKEQ-UHFFFAOYSA-N    		 Oc1cc(cc2cc(NC(=O)c3ccc(NC(=O)c4ccccc4)c
    c3)ccc12)[S](O)(=O)=O; c1ccc(cc1)C(=O)Nc
    2ccc(cc2)C(=O)Nc3ccc4c(c3)cc(cc4O)S(=O)(
    =O)O    		 7-[(4-benzamidophenyl)carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid;
    NSC-37215
    17621 A1L52
    CHEMBL144472    		 4 C20 H18 N2 O2 InChI=1S/C20H18N2O2/c1-3-
    22(4-2)13-9-10-16-18(11-1
    3)24-19-12-17(23)14-7-5-6
    -8-15(14)20(19)21-16/h5-1
    2H,3-4H2,1-2H3;
    VOFUROIFQGPCGE-UHFFFAOYSA-N    		 CCN(CC)c1ccc2c(c1)OC3=CC(=O)c4ccccc4C3=N
    2; CCN(CC)c1ccc2N=C3C(=CC(=O)c4ccccc34)O
    c2c1    		 Nile Red;
    9-(diethylamino)benzo[a]phenoxazin-5-one;
    Nile Blue A Oxazone
    17622 A1L53 2 C29 H24 N8 O InChI=1S/C29H24N8O/c1-2-2
    2-23(19-11-18-5-3-4-6-21(
    18)33-14-19)24-25(30)34-1
    7-35-26(24)37(22)29-9-7-2
    8(15-29,8-10-29)36-27(38)
    20-12-31-16-32-13-20/h1,3
    -6,11-14,16-17H,7-10,15H2
    ,(H,36,38)(H2,30,34,35)/t
    28-,29+;
    JTIOULFGKCXQAT-ISILISOKSA-N    		 C#Cc1c(c2c(ncnc2n1C34CCC(C3)(CC4)NC(=O)c
    5cncnc5)N)c6cc7ccccc7nc6; Nc1ncnc2n(c(C#
    C)c(c3cnc4ccccc4c3)c12)C56CCC(CC5)(C6)NC
    (=O)c7cncnc7    		 N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide;
    ~{N}-[4-(4-azanyl-6-ethynyl-5-quinolin-3-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-1-bicyclo[2.2.1]heptanyl]pyrimidine-5-carboxamide
    17623 A1L54
    CHEMBL1431610    		 1 C16 H14 F3 N O2 InChI=1S/C16H14F3NO2/c17-
    16(18,19)12-8-13(21)22-15
    -10-4-2-6-20-5-1-3-9(14(1
    0)20)7-11(12)15/h7-8H,1-6
    H2;
    VSSSHNJONFTXHS-UHFFFAOYSA-N    		 c1c2c3c(c4c1C(=CC(=O)O4)C(F)(F)F)CCCN3CC
    C2; FC(F)(F)C1=CC(=O)Oc2c3CCCN4CCCc(cc12
    )c34    		 Coumarin 153;
    6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraen-4-one
    17624 A1L55
    CHEMBL2024567    		 28 C26 H34 O6 InChI=1S/C26H34O6/c1-16(2
    )26-14-20(30-22(29)15-27)
    25(4,32-26)19-12-10-17(3)
    23(19)24(26)31-21(28)13-1
    1-18-8-6-5-7-9-18/h5-9,11
    ,13,16-17,19-20,23-24,27H
    ,10,12,14-15H2,1-4H3/b13-
    11+/t17-,19-,20-,23-,24+,
    25+,26-/m1/s1;
    GACOFEKSDCOVMV-RRYXBOBMSA-N    		 CC(C)[C]12C[CH](OC(=O)CO)[C](C)(O1)[CH]3
    CC[CH](C)[CH]3[CH]2OC(=O)C=Cc4ccccc4; CC
    (C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[
    C@@H]3CC[C@@H](C)[C@H]3[C@@H]2OC(=O)\C=C
    \c4ccccc4; CC1CCC2C1C(C3(CC(C2(O3)C)OC(=
    O)CO)C(C)C)OC(=O)C=Cc4ccccc4; C[C@@H]1CC
    [C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2
    (O3)C)OC(=O)CO)C(C)C)OC(=O)/C=C/c4ccccc4    		 (-)-englerin A
    17625 A1L57 2 C26 H27 N5 O3 InChI=1S/C26H27N5O3/c1-2-
    34-24-12-10-22(17-28-24)3
    0-26(33)23(11-5-18-3-4-18
    )31-25(32)19-6-8-20(9-7-1
    9)29-21-13-15-27-16-14-21
    /h5-18,23H,2-4H2,1H3,(H,2
    7,29)(H,30,33)(H,31,32)/b
    11-5+/t23-/m0/s1;
    XICBBLMNLVMJEC-ZIGLLSCRSA-N    		 CCOc1ccc(cn1)NC(=O)C(C=CC2CC2)NC(=O)c3cc
    c(cc3)Nc4ccncc4; CCOc1ccc(NC(=O)[CH](NC(
    =O)c2ccc(Nc3ccncc3)cc2)C=CC4CC4)cn1; CCO
    c1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Nc3ccncc3
    )cc2)/C=C/C4CC4)cn1; CCOc1ccc(cn1)NC(=O)
    [C@H](/C=C/C2CC2)NC(=O)c3ccc(cc3)Nc4ccnc
    c4    		 ~{N}-[(~{E},2~{S})-4-cyclopropyl-1-[(6-ethoxypyridin-3-yl)amino]-1-oxidanylidene-but-3-en-2-yl]-4-(pyridin-4-ylamino)benzamide
    17626 A1L58 2 C29 H36 N6 O3 InChI=1S/C29H36N6O3/c1-3-
    4-8-26(34-28(36)21-6-5-7-
    23(19-21)32-22-11-15-30-1
    6-12-22)29(37)33-24-9-10-
    27(31-20-24)38-25-13-17-3
    5(2)18-14-25/h5-7,9-12,15
    -16,19-20,25-26H,3-4,8,13
    -14,17-18H2,1-2H3,(H,30,3
    2)(H,33,37)(H,34,36)/t26-
    /m0/s1;
    AGGUHEVKATZJAQ-SANMLTNESA-N    		 CCCC[C@@H](C(=O)Nc1ccc(nc1)OC2CCN(CC2)C)
    NC(=O)c3cccc(c3)Nc4ccncc4; CCCC[C@H](NC(
    =O)c1cccc(Nc2ccncc2)c1)C(=O)Nc3ccc(OC4CC
    N(C)CC4)nc3; CCCCC(C(=O)Nc1ccc(nc1)OC2CC
    N(CC2)C)NC(=O)c3cccc(c3)Nc4ccncc4; CCCC[
    CH](NC(=O)c1cccc(Nc2ccncc2)c1)C(=O)Nc3cc
    c(OC4CCN(C)CC4)nc3    		 ~{N}-[(2~{S})-1-[[6-(1-methylpiperidin-4-yl)oxypyridin-3-yl]amino]-1-oxidanylidene-hexan-2-yl]-3-(pyridin-4-ylamino)benzamide
    17627 A1L59 6 C15 H15 F3 N6 O4 S InChI=1S/C15H15F3N6O4S/c1
    -7(2)29(26,27)6-11-21-22-
    12-9(4-5-10(24(11)12)15(1
    6,17)18)13(25)19-14-23-20
    -8(3)28-14/h4-5,7H,6H2,1-
    3H3,(H,19,23,25);
    ODXFUPRPCAYZLK-UHFFFAOYSA-N    		 CC(C)[S](=O)(=O)Cc1nnc2n1c(ccc2C(=O)Nc3o
    c(C)nn3)C(F)(F)F; Cc1nnc(o1)NC(=O)c2ccc(
    n3c2nnc3CS(=O)(=O)C(C)C)C(F)(F)F    		 iptriazopyrid;
    ~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
    17628 A1L5I
    CHEMBL57517    		 32 C39 H72 O5 InChI=1S/C39H72O5/c1-3-5-
    7-9-11-13-15-17-19-21-23-
    25-27-29-31-33-38(41)43-3
    6-37(35-40)44-39(42)34-32
    -30-28-26-24-22-20-18-16-
    14-12-10-8-6-4-2/h17-20,3
    7,40H,3-16,21-36H2,1-2H3/
    b19-17?,20-18+/t37-/m0/s1;
    AFSHUZFNMVJNKX-SKNMGDSLSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCC
    CCCC=CCCCCCCCC; CCCCCCCCC=CCCCCCCCC(=O)O
    C[CH](CO)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCC
    CCCC=CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC
    CC\C=C\CCCCCCCC; CCCCCCCCC=CCCCCCCCC(=O)
    OC[C@H](CO)OC(=O)CCCCCCC/C=C/CCCCCCCC    		 [(2~{S})-2-[(~{E})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] octadec-9-enoate
    17629 A1L5O
    CHEMBL2347953    		 1 C18 H24 N2 O InChI=1S/C18H24N2O/c1-12-
    9-13(2)15-11-17(20-16(15)
    10-12)18(21)19-14-7-5-3-4
    -6-8-14/h9-11,14,20H,3-8H
    2,1-2H3,(H,19,21);
    ANRDRZQBFPDAJD-UHFFFAOYSA-N    		 Cc1cc(c2cc([nH]c2c1)C(=O)NC3CCCCCC3)C; C
    c1cc(C)c2cc([nH]c2c1)C(=O)NC3CCCCCC3    		 N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide
    17630 A1L5P
    CHEMBL4576320    		 8 C22 H25 N3 O2 S InChI=1S/C22H25N3O2S/c26-
    21(20-14-15-6-2-1-3-9-19(
    15)28-20)24-12-10-16(11-1
    3-24)25-18-8-5-4-7-17(18)
    23-22(25)27/h4-5,7-8,14,1
    6H,1-3,6,9-13H2,(H,23,27);
    AXWRAIIIBRLXBP-UHFFFAOYSA-N    		 O=C1Nc2ccccc2N1C3CCN(CC3)C(=O)c4sc5CCCCC
    c5c4; c1ccc2c(c1)NC(=O)N2C3CCN(CC3)C(=O)
    c4cc5c(s4)CCCCC5    		 3-[1-(5,6,7,8-tetrahydro-4~{H}-cyclohepta[b]thiophen-2-ylcarbonyl)piperidin-4-yl]-1~{H}-benzimidazol-2-one
    17631 A1L5Q
    CHEMBL4085233    		 8 C22 H23 F3 N4 O3 InChI=1S/C22H23F3N4O3/c1-
    3-32-21(31)28-10-8-14(9-1
    1-28)17-12-18(30)29-20(26
    -17)19(13(2)27-29)15-4-6-
    16(7-5-15)22(23,24)25/h4-
    7,12,14,30H,3,8-11H2,1-2H
    3;
    JCCIFATWQJZIDU-UHFFFAOYSA-N    		 CCOC(=O)N1CCC(CC1)c2cc(n3c(n2)c(c(n3)C)c
    4ccc(cc4)C(F)(F)F)O; CCOC(=O)N1CCC(CC1)c
    2cc(O)n3nc(C)c(c4ccc(cc4)C(F)(F)F)c3n2    		 ethyl 4-[2-methyl-7-oxidanyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
    17632 A1L5R 16 C16 H14 O5 InChI=1S/C16H14O5/c1-21-1
    6-11(5-9-14(19)15(16)20)4
    -8-13(18)10-2-6-12(17)7-3
    -10/h2-9,17,19-20H,1H3/b8
    -4-;
    DRDRYGIIYOPBBZ-YWEYNIOJSA-N    		 COc1c(ccc(c1O)O)C=CC(=O)c2ccc(cc2)O; COc
    1c(O)c(O)ccc1C=CC(=O)c2ccc(O)cc2; COc1c(
    O)c(O)ccc1\C=C/C(=O)c2ccc(O)cc2    		 1-(4-hydroxyphenyl)-3-[2-methoxy-3,4-bis(oxidanyl)phenyl]prop-2-en-1-one;
    Licochalcone B
    17633 A1L5T 1 C12 H10 F N3 O S InChI=1S/C12H10FN3OS/c13-
    7-3-1-6(2-4-7)8-5-9(17)15
    -11-10(8)18-12(14)16-11/h
    1-4,8H,5H2,(H2,14,16)(H,1
    5,17)/t8-/m0/s1;
    OFXLNTLGSXLVSA-QMMMGPOBSA-N    		 Nc1sc2[CH](CC(=O)Nc2n1)c3ccc(F)cc3; c1cc
    (ccc1C2CC(=O)Nc3c2sc(n3)N)F; Nc1sc2[C@@H
    ](CC(=O)Nc2n1)c3ccc(F)cc3; c1cc(ccc1[C@@
    H]2CC(=O)Nc3c2sc(n3)N)F    		 (7~{S})-2-azanyl-7-(4-fluorophenyl)-6,7-dihydro-4~{H}-[1,3]thiazolo[4,5-b]pyridin-5-one
    17634 A1L5V 4 C22 H21 F N6 O5 InChI=1S/C22H21FN6O5/c1-2
    8-18(31)5-3-12-2-4-15(23)
    14(19(12)28)6-7-24-8-13-1
    0-29(22(32)34-13)16-9-25-
    21-20(26-16)27-17(30)11-3
    3-21/h2-5,9,13,24H,6-8,10
    -11H2,1H3,(H,26,27,30);
    MKICNOUBIXXGPQ-UHFFFAOYSA-N    		 CN1c2c(ccc(c2CCNC[C@H]3CN(C(=O)O3)c4cnc5
    c(n4)NC(=O)CO5)F)C=CC1=O; CN1C(=O)C=Cc2c
    cc(F)c(CCNC[C@H]3CN(C(=O)O3)c4cnc5OCC(=O
    )Nc5n4)c12; CN1c2c(ccc(c2CCNCC3CN(C(=O)O
    3)c4cnc5c(n4)NC(=O)CO5)F)C=CC1=O; CN1C(=
    O)C=Cc2ccc(F)c(CCNC[CH]3CN(C(=O)O3)c4cnc
    5OCC(=O)Nc5n4)c12    		 6-[(5S)-5-[[[2-(7-Fluoro-1,2-dihydro-1-methyl-2-oxo-8-quinolinyl)ethyl]amino]methyl]-2-oxo-3-oxazolidinyl]-2H-pyrazino[2,3-b]-1,4-oxazin-3(4H)-one;
    BWC0977
    17635 A1L5X 3 C20 H15 N O8 S2 InChI=1S/C20H15NO8S2/c22-
    19-9-15(30(24,25)26)7-11-
    5-13(1-3-17(11)19)21-14-2
    -4-18-12(6-14)8-16(10-20(
    18)23)31(27,28)29/h1-10,2
    1-23H,(H,24,25,26)(H,27,2
    8,29);
    BQVLLTHCZQAJNH-UHFFFAOYSA-N    		 Oc1cc(cc2cc(Nc3ccc4c(O)cc(cc4c3)[S](O)(=
    O)=O)ccc12)[S](O)(=O)=O; c1cc2c(cc1Nc3cc
    c4c(c3)cc(cc4O)S(=O)(=O)O)cc(cc2O)S(=O)(
    =O)O    		 Rhoduline Acid;
    NSC-37203
    17636 A1L5Z 3 C21 H16 N2 O9 S2 InChI=1S/C21H16N2O9S2/c24
    -19-9-15(33(27,28)29)5-11
    -1-3-13(7-17(11)19)22-21(
    26)23-14-4-2-12-6-16(34(3
    0,31)32)10-20(25)18(12)8-
    14/h1-10,24-25H,(H2,22,23
    ,26)(H,27,28,29)(H,30,31,
    32);
    XUMPVMRAPYSHRQ-UHFFFAOYSA-N    		 Oc1cc(cc2ccc(NC(=O)Nc3ccc4cc(cc(O)c4c3)[
    S](O)(=O)=O)cc12)[S](O)(=O)=O; c1cc(cc2c
    1cc(cc2O)S(=O)(=O)O)NC(=O)Nc3ccc4cc(cc(c
    4c3)O)S(=O)(=O)O    		 4-oxidanyl-6-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid;
    NSC-37204
    17637 A1L60
    CHEMBL47050
    DB13791    		 4 C28 H27 Cl F5 N O InChI=1S/C28H27ClF5NO/c29
    -26-12-7-21(18-25(26)28(3
    2,33)34)27(36)13-16-35(17
    -14-27)15-1-2-24(19-3-8-2
    2(30)9-4-19)20-5-10-23(31
    )11-6-20/h3-12,18,24,36H,
    1-2,13-17H2;
    MDLAAYDRRZXJIF-UHFFFAOYSA-N    		 c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(c(c3)C(F)
    (F)F)Cl)O)c4ccc(cc4)F)F; OC1(CCN(CCCC(c2
    ccc(F)cc2)c3ccc(F)cc3)CC1)c4ccc(Cl)c(c4)
    C(F)(F)F    		 Penfluridol;
    DB13791
    17638 A1L61
    CHEMBL561643    		 0 C24 H24 O6 InChI=1S/C24H24O6/c1-12(2
    )6-7-14-19-17(10-15(25)23
    (14)28-5)29-18-11-16-13(8
    -9-24(3,4)30-16)21(26)20(
    18)22(19)27/h6,8-11,25-26
    H,7H2,1-5H3;
    HQWHKELJHUFLGD-UHFFFAOYSA-N    		 COc1c(O)cc2Oc3cc4OC(C)(C)C=Cc4c(O)c3C(=O
    )c2c1CC=C(C)C; CC(=CCc1c2c(cc(c1OC)O)Oc3
    cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C    		 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5,9-bis(oxidanyl)pyrano[3,2-b]xanthen-6-one
    17639 A1L62
    CHEMBL4650214
    DB18245    		 1 C31 H38 F2 N8 O InChI=1S/C31H38F2N8O/c1-3
    1(2,20-22-8-4-5-9-23(22)2
    1-12-14-39(3)15-13-21)38-
    28-35-29(40-16-18-42-19-1
    7-40)37-30(36-28)41-25-11
    -7-6-10-24(25)34-27(41)26
    (32)33/h4-11,21,26H,12-20
    H2,1-3H3,(H,35,36,37,38);
    WPFUFWIHMYZXSF-UHFFFAOYSA-N    		 CC(C)(Cc1ccccc1C2CCN(CC2)C)Nc3nc(nc(n3)N
    4CCOCC4)n5c6ccccc6nc5C(F)F; CN1CCC(CC1)c
    2ccccc2CC(C)(C)Nc3nc(nc(n3)n4c(nc5ccccc4
    5)C(F)F)N6CCOCC6    		 Zandelisib;
    4-[2-[bis(fluoranyl)methyl]benzimidazol-1-yl]-~{N}-[2-methyl-1-[2-(1-methylpiperidin-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine;
    ME-401;
    4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpiperidin-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
    17640 A1L64
    CHEMBL407116    		 2 C29 H42 O4 InChI=1S/C29H42O4/c1-20(2
    )12-9-13-21(3)14-10-15-22
    (4)16-11-17-23(5)18-19-25
    -24(6)26(30)28(32-7)29(33
    -8)27(25)31/h12,14,16,18H
    ,9-11,13,15,17,19H2,1-8H3
    /b21-14+,22-16+,23-18+;
    XGCJRRDNIMSYNC-INVBOZNNSA-N    		 COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CC\C
    =C(/C)CC\C=C(/C)CCC=C(C)C; CC1=C(C(=O)C(
    =C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC
    =C(C)C; CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C
    (\C)/CCC=C(C)CC/C=C(\C)/CCC=C(C)C; COC1=
    C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC
    =C(C)CCC=C(C)C    		 Coenzyme Q4;
    Ubiquinone-4;
    2,3-dimethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexa-2,5-diene-1,4-dione
    17641 A1L65 1 C36 H37 F N6 O3 InChI=1S/C36H37FN6O3/c1-2
    0-29(37)15-30-28(17-39-42
    -30)31(20)32-26(22-7-8-22
    )14-27-33(34(32)45-19-21-
    5-3-2-4-6-21)40-36(46-25-
    9-11-44-12-10-25)41-35(27
    )43-18-23-13-24(43)16-38-
    23/h2-6,14-15,17,22-25,38
    H,7-13,16,18-19H2,1H3,(H,
    39,42)/t23-,24-/m0/s1;
    UVXSJHUAILWCNQ-ZEQRLZLVSA-N    		 Cc1c(cc2c(c1c3c(cc4c(c3OCc5ccccc5)nc(nc4
    N6CC7CC6CN7)OC8CCOCC8)C9CC9)cn[nH]2)F; C
    c1c(F)cc2[nH]ncc2c1c3c(cc4c(nc(OC5CCOCC5
    )nc4c3OCc6ccccc6)N7C[CH]8C[CH]7CN8)C9CC9
    ; Cc1c(cc2c(c1c3c(cc4c(c3OCc5ccccc5)nc(n
    c4N6C[C@@H]7C[C@H]6CN7)OC8CCOCC8)C9CC9)c
    n[nH]2)F; Cc1c(F)cc2[nH]ncc2c1c3c(cc4c(n
    c(OC5CCOCC5)nc4c3OCc6ccccc6)N7C[C@@H]8C[
    C@H]7CN8)C9CC9    		 6-cyclopropyl-4-[(1~{S},4~{S})-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoranyl-5-methyl-1~{H}-indazol-4-yl)-2-(oxan-4-yloxy)-8-phenylmethoxy-quinazoline
    17642 A1L66
    DB21670    		 8 C60 H65 F N12 O7 S InChI=1S/C60H65FN12O7S/c1
    -31(2)54(59(77)72-26-41(7
    5)20-50(72)58(76)65-49(28
    -74)37-11-13-38(14-12-37)
    56-33(4)63-30-81-56)73-27
    -48(69-70-73)36-7-5-34(6-
    8-36)29-79-55-52(51-32(3)
    46(61)22-47-45(51)24-64-6
    8-47)43(35-9-10-35)21-44-
    53(55)66-60(80-42-15-17-7
    8-18-16-42)67-57(44)71-25
    -39-19-40(71)23-62-39/h5-
    8,11-14,21-22,24,27,30-31
    ,35,39-42,49-50,54,62,74-
    75H,9-10,15-20,23,25-26,2
    8-29H2,1-4H3,(H,64,68)(H,
    65,76)/t39-,40-,41+,49-,5
    0-,54-/m0/s1;
    XXWMEQMGQNHRAF-WFJRNIGCSA-N    		 Cc1c(cc2c(c1c3c(cc4c(c3OCc5ccc(cc5)c6cn(
    nn6)C(C(C)C)C(=O)N7CC(CC7C(=O)NC(CO)c8cc
    c(cc8)c9c(ncs9)C)O)nc(nc4N1CC3CC1CN3)OC1
    CCOCC1)C1CC1)cn[nH]2)F; CC(C)[C@H](n1cc(
    nn1)c2ccc(COc3c4nc(OC5CCOCC5)nc(N6C[C@@H
    ]7C[C@H]6CN7)c4cc(C8CC8)c3c9c(C)c(F)cc%1
    0[nH]ncc9%10)cc2)C(=O)N%11C[C@H](O)C[C@H
    ]%11C(=O)N[C@@H](CO)c%12ccc(cc%12)c%13sc
    nc%13C; CC(C)[CH](n1cc(nn1)c2ccc(COc3c4n
    c(OC5CCOCC5)nc(N6C[CH]7C[CH]6CN7)c4cc(C8
    CC8)c3c9c(C)c(F)cc%10[nH]ncc9%10)cc2)C(=
    O)N%11C[CH](O)C[CH]%11C(=O)N[CH](CO)c%12
    ccc(cc%12)c%13scnc%13C; Cc1c(cc2c(c1c3c(
    cc4c(c3OCc5ccc(cc5)c6cn(nn6)[C@@H](C(C)C
    )C(=O)N7C[C@@H](C[C@H]7C(=O)N[C@@H](CO)c
    8ccc(cc8)c9c(ncs9)C)O)nc(nc4N1C[C@@H]3C[
    C@H]1CN3)OC1CCOCC1)C1CC1)cn[nH]2)F    		 ASP3082;
    (2~{S},4~{R})-1-[(2~{S})-2-[4-[4-[[6-cyclopropyl-4-[(1~{S},4~{S})-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoranyl-5-methyl-1~{H}-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-~{N}-[(1~{R})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide;
    KRAS G12D inhibitor 17;
    Setidegrasib
    17643 A1L67 1 C11 H13 N5 O4 InChI=1S/C11H13N5O4/c1-5-
    7(18)8(19)11(2-17,20-5)16
    -4-15-6-9(12)13-3-14-10(6
    )16/h3-4,7-8,17-19H,1-2H2
    ,(H2,12,13,14)/t7-,8+,11+
    /m0/s1;
    UZSSGAOAYPICBZ-VAOFZXAKSA-N    		 C=C1C(C(C(O1)(CO)n2cnc3c2ncnc3N)O)O; Nc1
    ncnc2n(cnc12)[C@]3(CO)OC(=C)[C@H](O)[C@H
    ]3O; C=C1[C@@H]([C@H]([C@](O1)(CO)n2cnc3
    c2ncnc3N)O)O; Nc1ncnc2n(cnc12)[C]3(CO)OC
    (=C)[CH](O)[CH]3O    		 (2~{R},3~{R},4~{R})-2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylidene-oxolane-3,4-diol
    17644 A1L68 4 C30 H46 O3 S InChI=1S/C30H46O3S/c1-25(
    2)21-8-11-30(7)23(28(21,5
    )10-9-22(25)32)20(31)16-1
    8-19-17-27(4,24(33)34)13-
    12-26(19,3)14-15-29(18,30
    )6/h16,19,21-23,32H,8-15,
    17H2,1-7H3,(H,33,34)/t19-
    ,21-,22-,23+,26+,27-,28+,
    29+,30+/m0/s1;
    SOGZTSGQAUOWBG-ZEYMVYSOSA-N    		 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@
    @]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2
    )C)C)(C)C)O)C)(C)C(=O)S; CC1(C)[C@@H](O)
    CC[C@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=
    C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C
    (S)=O; CC1(C)[CH](O)CC[C]2(C)[CH]1CC[C]3
    (C)[CH]2C(=O)C=C4[CH]5C[C](C)(CC[C]5(C)C
    C[C]34C)C(S)=O; CC1(C2CCC3(C(C2(CCC1O)C)
    C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)S)C)C)
    C)C    		 (2~{S},4~{a}~{S},6~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},10~{S},12~{a}~{R},14~{b}~{R})-2,4~{a},6~{a},6~{b},9,9,12~{a}-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6~{a},7,8,8~{a},10,11,12,14~{b}-dodecahydro-1~{H}-picene-2-carbothioic S-acid
    17645 A1L69 1 C16 H34 N O5 P InChI=1S/C16H34NO5P/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -16(18)15(17)14-22-23(19,
    20)21/h12-13,15-16,18H,2-
    11,14,17H2,1H3,(H2,19,20,
    21)/b13-12-/t15-,16+/m1/s
    1;
    IQHNJQKWEMCXAD-AXUOUDRWSA-N    		 CCCCCCCCCCC/C=C\[C@@H]([C@@H](COP(=O)(O)
    O)N)O; CCCCCCCCCCC\C=C/[C@H](O)[C@H](N)C
    O[P](O)(O)=O; CCCCCCCCCCCC=CC(C(COP(=O)(
    O)O)N)O; CCCCCCCCCCCC=C[CH](O)[CH](N)CO[
    P](O)(O)=O    		 [(~{Z},2~{R},3~{S})-2-azanyl-3-oxidanyl-hexadec-4-enyl] dihydrogen phosphate
    17646 A1L6A 1 C16 H26 N O6 P S InChI=1S/C16H26NO6PS/c1-3
    -4-5-6-10-23-14-9-7-8-13(
    11-14)16(24(20,21)22)25-1
    2-15(18)17(2)19/h7-9,11,1
    6,19H,3-6,10,12H2,1-2H3,(
    H2,20,21,22)/t16-/m0/s1;
    YZIQGTUECDVLCI-INIZCTEOSA-N    		 CCCCCCOc1cccc(c1)[C@H](SCC(=O)N(C)O)[P](
    O)(O)=O; CCCCCCOc1cccc(c1)[C@@H](P(=O)(O
    )O)SCC(=O)N(C)O; CCCCCCOc1cccc(c1)C(P(=O
    )(O)O)SCC(=O)N(C)O; CCCCCCOc1cccc(c1)[CH
    ](SCC(=O)N(C)O)[P](O)(O)=O    		 [(~{S})-(3-hexoxyphenyl)-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]sulfanyl-methyl]phosphonic acid
    17647 A1L6B
    CHEMBL5314518
    DB18744    		 2 C31 H26 Cl F4 N7 O2 InChI=1S/C31H26ClF4N7O2/c
    1-5-19(44)41-8-10-42(11-9
    -41)29-16-12-18(32)27(20-
    21(33)22(34)23(35)24(36)2
    5(20)38)40-30(16)43(31(45
    )17(29)13-37)28-15(4)6-7-
    39-26(28)14(2)3/h5-7,12,1
    4H,1,8-11,38H2,2-4H3;
    QRRJEUIQLZNPIO-UHFFFAOYSA-N    		 Cc1ccnc(c1N2c3c(cc(c(n3)c4c(c(c(c(c4F)F)
    F)F)N)Cl)C(=C(C2=O)C#N)N5CCN(CC5)C(=O)C=
    C)C(C)C; CC(C)c1nccc(C)c1N2C(=O)C(=C(N3C
    CN(CC3)C(=O)C=C)c4cc(Cl)c(nc24)c5c(N)c(F
    )c(F)c(F)c5F)C#N    		 Glecirasib bound form;
    7-[2-azanyl-3,4,5,6-tetrakis(fluoranyl)phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
    17648 A1L6C
    CHEMBL4859820    		 1 C31 H27 Cl3 F N7 O2 InChI=1S/C31H27Cl3FN7O2/c
    1-5-22(43)40-8-10-41(11-9
    -40)29-17-12-21(34)27(23-
    24(35)19(32)13-20(33)25(2
    3)37)39-30(17)42(31(44)18
    (29)14-36)28-16(4)6-7-38-
    26(28)15(2)3/h5-7,12-13,1
    5H,1,8-11,37H2,2-4H3;
    IBNSEKBMYPAXNN-UHFFFAOYSA-N    		 Cc1ccnc(c1N2c3c(cc(c(n3)c4c(c(cc(c4F)Cl)
    Cl)N)Cl)C(=C(C2=O)C#N)N5CCN(CC5)C(=O)C=C
    )C(C)C; CC(C)c1nccc(C)c1N2C(=O)C(=C(N3CC
    N(CC3)C(=O)C=C)c4cc(Cl)c(nc24)c5c(N)c(Cl
    )cc(Cl)c5F)C#N    		 7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
    17649 A1L6D 4 C42 H58 O6 InChI=1S/C42H58O6/c1-29(1
    8-14-19-31(3)22-23-37-39(
    6,7)27-35(48-33(5)43)28-4
    2(37,11)47)16-12-13-17-30
    (2)20-15-21-32(4)36(45)24
    -38(46)41(10)26-34(44)25-
    40(41,8)9/h12-22,24,34-35
    ,44-45,47H,25-28H2,1-11H3
    /b13-12+,18-14+,20-15+,29
    -16+,30-17+,31-19+,32-21+
    ,36-24-/t23-,34-,35+,41-,
    42-/m0/s1;
    LUDSIBUOXLKVSG-BDVOIICUSA-N    		 CC(=O)O[C@@H]1CC(C)(C)[C](=[C@@]=[CH]\C(
    C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(
    O)=C\C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)[C@@
    ](C)(O)C1; CC(=CC=CC=C(C)C=CC=C(C)C(=CC(
    =O)C1(CC(CC1(C)C)O)C)O)C=CC=C(C)C=C=C2C(
    CC(CC2(C)O)OC(=O)C)(C)C; C/C(=C\C=C\C=C(
    /C)\C=C\C=C(/C)\C(=C\C(=O)[C@@]1(C[C@H](
    CC1(C)C)O)C)\O)/C=C/C=C(\C)/C=C=C2[C@@](
    C[C@@H](CC2(C)C)OC(=O)C)(C)O; CC(=O)O[CH
    ]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC(C)=CC=
    CC=C(C)C=CC=C(C)C(O)=CC(=O)[C]2(C)C[CH](
    O)CC2(C)C)[C](C)(O)C1    		 [(1~{R},5~{S})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{Z})-3,7,12,16-tetramethyl-17-oxidanyl-19-oxidanylidene-19-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate
    17650 A1L6I 1 C28 H33 F N8 O S InChI=1S/C28H33FN8OS/c1-5
    -35(6-2)28-32-22-9-7-19(1
    5-23(22)39-28)25-21(29)17
    -31-27(34-25)33-24-10-8-2
    0(16-30-24)26(38)37-13-11
    -36(12-14-37)18(3)4/h7-10
    ,15-18H,5-6,11-14H2,1-4H3
    ,(H,30,31,33,34);
    QXLHPZGOJNRMDZ-UHFFFAOYSA-N    		 CCN(CC)c1sc2cc(ccc2n1)c3nc(Nc4ccc(cn4)C(
    =O)N5CCN(CC5)C(C)C)ncc3F; CCN(CC)c1nc2cc
    c(cc2s1)c3c(cnc(n3)Nc4ccc(cn4)C(=O)N5CCN
    (CC5)C(C)C)F    		 [6-[[4-[2-(diethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
    17651 A1L6J 2 C33 H25 F N8 O4 InChI=1S/C33H25FN8O4/c1-4
    0-16-20(15-38-40)29-27(19
    -4-3-5-22(35)14-19)28-31(
    36-18-37-32(28)46-29)45-2
    5-12-8-23(9-13-25)39-30(4
    3)26-17-41(2)42(33(26)44)
    24-10-6-21(34)7-11-24/h3-
    18H,35H2,1-2H3,(H,39,43);
    ROQFVBHLGRGANE-UHFFFAOYSA-N    		 Cn1cc(cn1)c2oc3ncnc(Oc4ccc(NC(=O)C5=CN(C
    )N(C5=O)c6ccc(F)cc6)cc4)c3c2c7cccc(N)c7;
    Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc(cc4)NC
    (=O)C5=CN(N(C5=O)c6ccc(cc6)F)C)c7cccc(c7
    )N    		 ~{N}-[4-[5-(3-aminophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-1-methyl-3-oxidanylidene-pyrazole-4-carboxamide
    17652 A1L6K 2 C36 H31 F N8 O4 InChI=1S/C36H31FN8O4/c1-4
    2(2)18-22-6-5-7-23(16-22)
    30-31-34(38-21-39-35(31)4
    9-32(30)24-17-40-43(3)19-
    24)48-28-14-10-26(11-15-2
    8)41-33(46)29-20-44(4)45(
    36(29)47)27-12-8-25(37)9-
    13-27/h5-17,19-21H,18H2,1
    -4H3,(H,41,46);
    WOAZQVRBSBTOAN-UHFFFAOYSA-N    		 CN(C)Cc1cccc(c1)c2c(oc3ncnc(Oc4ccc(NC(=O
    )C5=CN(C)N(C5=O)c6ccc(F)cc6)cc4)c23)c7cn
    n(C)c7; Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc
    (cc4)NC(=O)C5=CN(N(C5=O)c6ccc(cc6)F)C)c7
    cccc(c7)CN(C)C    		 ~{N}-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-1-methyl-3-oxidanylidene-pyrazole-4-carboxamide
    17653 A1L6L
    CHEMBL5558836    		 2 C34 H24 F N7 O4 InChI=1S/C34H24FN7O4/c1-4
    1-18-21(17-39-41)30-28(20
    -4-2-5-23(36)16-20)29-32(
    37-19-38-33(29)46-30)45-2
    6-13-9-24(10-14-26)40-31(
    43)27-6-3-15-42(34(27)44)
    25-11-7-22(35)8-12-25/h2-
    19H,36H2,1H3,(H,40,43);
    NCGOROUZONSZHC-UHFFFAOYSA-N    		 Cn1cc(cn1)c2oc3ncnc(Oc4ccc(NC(=O)C5=CC=C
    N(C5=O)c6ccc(F)cc6)cc4)c3c2c7cccc(N)c7;
    Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc(cc4)NC(
    =O)C5=CC=CN(C5=O)c6ccc(cc6)F)c7cccc(c7)N    		 ~{N}-[4-[5-(3-aminophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxidanylidene-pyridine-3-carboxamide
    17654 A1L6M 7 C48 H62 N4 O8 InChI=1S/C48H62N4O8/c1-9-
    33-31(7)47(59)52-39(33)23
    -37-30(6)34(19-21-44(55)5
    6)40(49-37)25-41-35(20-22
    -45(57)58)36(26-53)42(50-
    41)24-38-32(8)46(48(60)51
    -38)43(54)18-12-17-29(5)1
    6-11-15-28(4)14-10-13-27(
    2)3/h13,15,17,23-25,43,49
    ,53-54H,9-12,14,16,18-22,
    26H2,1-8H3,(H,51,60)(H,52
    ,59)(H,55,56)(H,57,58)/b2
    8-15-,29-17+,38-24-,39-23
    -,41-25-/t43-/m0/s1;
    XIZXJTXQUCTMIQ-OYUVAKGFSA-N    		 CCC/1=C(C)C(=O)NC/1=C/c2[nH]c(\C=C3/N=C(
    \C=C4/NC(=O)C(=C4C)[C@@H](O)CC\C=C(/C)CC
    /C=C(/C)CCC=C(C)C)C(=C3CCC(O)=O)CO)c(CCC
    (O)=O)c2C; CCC\1=C(C(=O)N/C1=C\c2c(c(c([
    nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)
    N4)[C@H](CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C
    )O)C)CO)CCC(=O)O)CCC(=O)O)C)C; CCC1=C(C(
    =O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C
    4C(=C(C(=O)N4)C(CCC=C(C)CCC=C(C)CCC=C(C)
    C)O)C)CO)CCC(=O)O)CCC(=O)O)C)C; CCC1=C(C
    )C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=
    C4C)[CH](O)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=
    C3CCC(O)=O)CO)c(CCC(O)=O)c2C    		 3-[5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[4-(hydroxymethyl)-3-(3-hydroxy-3-oxopropyl)-5-[(~{Z})-[3-methyl-5-oxidanylidene-4-[(1~{S},4~{E},8~{Z})-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
    17655 A1L6N
    CHEMBL5076204    		 0 C25 H26 N4 O4 InChI=1S/C25H26N4O4/c30-1
    5-19(13-18-10-11-26-23(18
    )31)27-24(32)21(12-16-6-2
    -1-3-7-16)29-25(33)22-14-
    17-8-4-5-9-20(17)28-22/h1
    -9,14-15,18-19,21,28H,10-
    13H2,(H,26,31)(H,27,32)(H
    ,29,33)/t18-,19-,21-/m0/s
    1;
    BRFDPJYHCJVJEP-ZJOUEHCJSA-N    		 O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2cccc
    c2)NC(=O)c3[nH]c4ccccc4c3; O=C[C@H](C[C@
    @H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)
    c3[nH]c4ccccc4c3; c1ccc(cc1)C[C@@H](C(=O
    )N[C@@H](C[C@@H]2CCNC2=O)C=O)NC(=O)c3cc4
    ccccc4[nH]3; c1ccc(cc1)CC(C(=O)NC(CC2CCN
    C2=O)C=O)NC(=O)c3cc4ccccc4[nH]3    		 ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]-1~{H}-indole-2-carboxamide
    17656 A1L6P 5 C22 H40 O5 InChI=1S/C22H40O5/c1-7-8-
    9-10-18(23)25-15-16(2)19(
    24)22(6)12-11-17(26-22)21
    (5)14-13-20(3,4)27-21/h16
    -17,19,24H,7-15H2,1-6H3/t
    16-,17+,19+,21+,22+/m1/s1;
    WEWKCWFBYOEHQB-ZUCBFVJTSA-N    		 CCCCCC(=O)OC[C@H](C)[C@H]([C@@]1(CC[C@@H
    ](O1)[C@@]2(CCC(O2)(C)C)C)C)O; CCCCCC(=O
    )OCC(C)C(C1(CCC(O1)C2(CCC(O2)(C)C)C)C)O;
    CCCCCC(=O)OC[CH](C)[CH](O)[C]1(C)CC[CH]
    (O1)[C]2(C)CCC(C)(C)O2; CCCCCC(=O)OC[C@H
    ](C)[C@@H](O)[C@]1(C)CC[C@@H](O1)[C@]2(C
    )CCC(C)(C)O2    		 [(2~{S},3~{R})-2-methyl-3-[(2~{S},5~{R})-2-methyl-5-[(2~{S})-2,5,5-trimethyloxolan-2-yl]oxolan-2-yl]-3-oxidanyl-propyl] hexanoate
    17657 A1L6Q 2 C14 H10 Cl N3 S2 InChI=1S/C14H10ClN3S2/c15
    -11-4-2-1-3-10(11)13-8-19
    -14(20-13)12(7-16)18-6-5-
    17-9-18/h1-6,9,13H,8H2/b1
    4-12+/t13-/m0/s1;
    ZRTQSJFIDWNVJW-REQDGWNSSA-N    		 Clc1ccccc1[CH]2CSC(S2)=C(C#N)n3ccnc3; Cl
    c1ccccc1[C@@H]2CSC(/S2)=C(/C#N)n3ccnc3;
    c1ccc(c(c1)C2CSC(=C(C#N)n3ccnc3)S2)Cl; c
    1ccc(c(c1)[C@@H]2CS/C(=C(/C#N)\n3ccnc3)/
    S2)Cl    		 (2~{E})-2-[(4~{R})-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile;
    lanoconazole
    17658 A1L6R 5 C24 H27 N7 O5 S InChI=1S/C24H27N7O5S/c1-1
    4-12-25-22(26-13-14)21(32
    )16(3)37(33,34)30-24-29-2
    8-23(17-9-6-8-15(2)27-17)
    31(24)20-18(35-4)10-7-11-
    19(20)36-5/h6-13,16,21,32
    H,1-5H3,(H,29,30)/t16-,21
    +/m0/s1;
    HNGYVRSMVVCWGF-HRAATJIYSA-N    		 COc1cccc(OC)c1n2c(N[S](=O)(=O)[C@@H](C)[
    C@@H](O)c3ncc(C)cn3)nnc2c4cccc(C)n4; COc
    1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](O
    )c3ncc(C)cn3)nnc2c4cccc(C)n4; Cc1cccc(n1
    )c2nnc(n2c3c(cccc3OC)OC)NS(=O)(=O)C(C)C(
    c4ncc(cn4)C)O; Cc1cccc(n1)c2nnc(n2c3c(cc
    cc3OC)OC)NS(=O)(=O)[C@@H](C)[C@H](c4ncc(
    cn4)C)O    		 (1~{S},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide
    17659 A1L6U
    CHEMBL546920    		 3 C11 H14 Br N O InChI=1S/C11H14BrNO/c1-2-
    13-11(14)7-6-9-4-3-5-10(1
    2)8-9/h3-5,8H,2,6-7H2,1H3
    ,(H,13,14);
    UGAKXJNKHSOXDT-UHFFFAOYSA-N    		 CCNC(=O)CCc1cccc(c1)Br; CCNC(=O)CCc1cccc
    (Br)c1    		 3-(3-bromophenyl)-~{N}-ethyl-propanamide
    17660 A1L6V 3 C14 H15 F3 N2 O2 InChI=1S/C14H15F3N2O2/c1-
    19(2)13(21)9-18-12(20)8-5
    -10-3-6-11(7-4-10)14(15,1
    6)17/h3-8H,9H2,1-2H3,(H,1
    8,20)/b8-5+;
    NGZJOWYKBKCEMX-VMPITWQZSA-N    		 CN(C)C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F
    ; CN(C)C(=O)CNC(=O)C=Cc1ccc(cc1)C(F)(F)F
    ; CN(C)C(=O)CNC(=O)/C=C/c1ccc(cc1)C(F)(F
    )F    		 (~{E})-~{N}-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
    17661 A1L6W 3 C16 H16 F3 N3 O3 InChI=1S/C16H16F3N3O3/c17
    -16(18,19)12-4-1-11(2-5-1
    2)3-6-13(23)21-9-15(25)22
    -8-7-20-14(24)10-22/h1-6H
    ,7-10H2,(H,20,24)(H,21,23
    )/b6-3+;
    SQCPJGHMDVTIRR-ZZXKWVIFSA-N    		 c1cc(ccc1/C=C/C(=O)NCC(=O)N2CCNC(=O)C2)C
    (F)(F)F; FC(F)(F)c1ccc(C=CC(=O)NCC(=O)N2
    CCNC(=O)C2)cc1; c1cc(ccc1C=CC(=O)NCC(=O)
    N2CCNC(=O)C2)C(F)(F)F; FC(F)(F)c1ccc(/C=
    C/C(=O)NCC(=O)N2CCNC(=O)C2)cc1    		 (~{E})-~{N}-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
    17662 A1L6X
    CHEMBL173038    		 1 C18 H14 Cl4 N2 O InChI=1S/C18H14Cl4N2O/c19
    -13-2-1-12(16(21)7-13)10-
    25-18(9-24-6-5-23-11-24)1
    5-4-3-14(20)8-17(15)22/h1
    -8,11,18H,9-10H2/t18-/m1/
    s1;
    BYBLEWFAAKGYCD-GOSISDBHSA-N    		 Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)
    c(Cl)c1; Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(C
    l)cc3Cl)c(Cl)c1; c1cc(c(cc1Cl)Cl)COC(Cn2
    ccnc2)c3ccc(cc3Cl)Cl; c1cc(c(cc1Cl)Cl)CO
    [C@H](Cn2ccnc2)c3ccc(cc3Cl)Cl    		 1-[(2S)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;
    miconazole
    17663 A1L6Y
    CHEMBL389348    		 1 C22 H28 N4 O4 InChI=1S/C22H28N4O4/c23-2
    2(24)25-13-7-12-19(21(28)
    29)26-20(27)15-30-14-18(1
    6-8-3-1-4-9-16)17-10-5-2-
    6-11-17/h1-6,8-11,18-19H,
    7,12-15H2,(H,26,27)(H,28,
    29)(H4,23,24,25)/t19-/m0/
    s1;
    RRKKJYBCPXAJAO-IBGZPJMESA-N    		 c1ccc(cc1)C(COCC(=O)NC(CCCN=C(N)N)C(=O)O
    )c2ccccc2; NC(N)=NCCC[C@H](NC(=O)COCC(c1
    ccccc1)c2ccccc2)C(O)=O; NC(N)=NCCC[CH](N
    C(=O)COCC(c1ccccc1)c2ccccc2)C(O)=O; c1cc
    c(cc1)C(COCC(=O)N[C@@H](CCCN=C(N)N)C(=O)
    O)c2ccccc2    		 (2S)-5-[bis(azanyl)methylideneamino]-2-[2-(2,2-diphenylethoxy)ethanoylamino]pentanoic acid;
    SB290157
    17664 A1L6Z 1 C25 H40 O6 InChI=1S/C25H40O6/c1-14-1
    2-23(27)24(28,22(26)17(4)
    7-9-20-15(2)10-11-30-20)2
    1-16(3)6-8-19(21)18(5)25(
    23,29)31-13-14/h10-11,14,
    16-19,21-22,26-29H,6-9,12
    -13H2,1-5H3/t14-,16+,17-,
    18+,19+,21-,22+,23+,24+,2
    5+/m1/s1;
    NYTILQADEOYMMD-POWAAIPISA-N    		 Cc1ccoc1CC[C@@H](C)[C@@H]([C@]2([C@@H]3[
    C@H](CC[C@H]3[C@@H]([C@]4([C@@]2(CC(CO4)
    C)O)O)C)C)O)O; C[CH]1CO[C]2(O)[CH](C)[CH
    ]3CC[CH](C)[CH]3[C](O)([CH](O)[CH](C)CCc
    4occc4C)[C]2(O)C1; C[C@H]1CO[C@@]2(O)[C@
    @H](C)[C@@H]3CC[C@H](C)[C@H]3[C@](O)([C@
    @H](O)[C@H](C)CCc4occc4C)[C@@]2(O)C1; Cc
    1ccoc1CCC(C)C(C2(C3C(CCC3C(C4(C2(CC(CO4)
    C)O)O)C)C)O)O    		 (4~{a}~{S},5~{S},5~{a}~{R},6~{S},8~{a}~{R},9~{S},9~{a}~{S})-3,6,9-trimethyl-5-[(1~{S},2~{R})-2-methyl-4-(3-methylfuran-2-yl)-1-oxidanyl-butyl]-3,4,5~{a},6,7,8,8~{a},9-octahydro-2~{H}-cyclopenta[g]chromene-4~{a},5,9~{a}-triol
    17665 A1L70 1 C25 H36 O6 Si InChI=1S/C25H36O6Si/c1-5-
    25(29,6-2)18-31-21-10-14-
    23(15-11-21)32(3,4)22-12-
    8-20(9-13-22)30-17-19(26)
    7-16-24(27)28/h8-15,19,26
    ,29H,5-7,16-18H2,1-4H3,(H
    ,27,28)/t19-/m1/s1;
    OWXFCNNGRPVSBM-LJQANCHMSA-N    		 CCC(CC)(COc1ccc(cc1)[Si](C)(C)c2ccc(cc2)
    OC[C@H](CCC(=O)O)O)O; CCC(O)(CC)COc1ccc(
    cc1)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)cc
    2; CCC(O)(CC)COc1ccc(cc1)[Si](C)(C)c2ccc
    (OC[C@@H](O)CCC(O)=O)cc2; CCC(CC)(COc1cc
    c(cc1)[Si](C)(C)c2ccc(cc2)OCC(CCC(=O)O)O
    )O    		 (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid
    17666 A1L71 1 C27 H40 O6 Si InChI=1S/C27H40O6Si/c1-7-
    27(31,8-2)18-33-25-13-11-
    23(16-20(25)4)34(5,6)22-1
    0-12-24(19(3)15-22)32-17-
    21(28)9-14-26(29)30/h10-1
    3,15-16,21,28,31H,7-9,14,
    17-18H2,1-6H3,(H,29,30)/t
    21-/m0/s1;
    ZRDFZSBOZQJKGC-NRFANRHFSA-N    		 CCC(CC)(COc1ccc(cc1C)[Si](C)(C)c2ccc(c(c
    2)C)OCC(CCC(=O)O)O)O; CCC(O)(CC)COc1ccc(
    cc1C)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O
    )c(C)c2; CCC(CC)(COc1ccc(cc1C)[Si](C)(C)
    c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O)O; CCC(O
    )(CC)COc1ccc(cc1C)[Si](C)(C)c2ccc(OC[CH]
    (O)CCC(O)=O)c(C)c2    		 (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-dimethyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid
    17667 A1L73 1 C27 H40 O6 Si InChI=1S/C27H40O6Si/c1-7-
    27(31,8-2)18-33-23-11-13-
    25(20(4)16-23)34(5,6)24-1
    2-10-22(15-19(24)3)32-17-
    21(28)9-14-26(29)30/h10-1
    3,15-16,21,28,31H,7-9,14,
    17-18H2,1-6H3,(H,29,30)/t
    21-/m0/s1;
    OSYCNJSNXPMJRY-NRFANRHFSA-N    		 CCC(CC)(COc1ccc(c(c1)C)[Si](C)(C)c2ccc(c
    c2C)OCC(CCC(=O)O)O)O; CCC(CC)(COc1ccc(c(
    c1)C)[Si](C)(C)c2ccc(cc2C)OC[C@H](CCC(=O
    )O)O)O; CCC(O)(CC)COc1ccc(c(C)c1)[Si](C)
    (C)c2ccc(OC[CH](O)CCC(O)=O)cc2C; CCC(O)(
    CC)COc1ccc(c(C)c1)[Si](C)(C)c2ccc(OC[C@@
    H](O)CCC(O)=O)cc2C    		 (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-2-methyl-phenyl]-dimethyl-silyl]-3-methyl-phenoxy]-4-oxidanyl-pentanoic acid
    17668 A1L74 1 C29 H44 O6 Si InChI=1S/C29H44O6Si/c1-9-
    29(33,10-2)18-35-25-13-15
    -27(22(6)20(25)4)36(7,8)2
    6-14-12-24(19(3)21(26)5)3
    4-17-23(30)11-16-28(31)32
    /h12-15,23,30,33H,9-11,16
    -18H2,1-8H3,(H,31,32)/t23
    -/m1/s1;
    OUTAWAKGHUBDDX-HSZRJFAPSA-N    		 CCC(CC)(COc1ccc(c(c1C)C)[Si](C)(C)c2ccc(
    c(c2C)C)OC[C@H](CCC(=O)O)O)O; CCC(O)(CC)
    COc1ccc(c(C)c1C)[Si](C)(C)c2ccc(OC[CH](O
    )CCC(O)=O)c(C)c2C; CCC(O)(CC)COc1ccc(c(C
    )c1C)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O
    )c(C)c2C; CCC(CC)(COc1ccc(c(c1C)C)[Si](C
    )(C)c2ccc(c(c2C)C)OCC(CCC(=O)O)O)O    		 (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-2,3-dimethyl-phenyl]-dimethyl-silyl]-2,3-dimethyl-phenoxy]-4-oxidanyl-pentanoic acid
    17669 A1L75 1 C29 H44 O6 Si InChI=1S/C29H44O6Si/c1-9-
    29(33,10-2)18-35-28-21(5)
    15-25(16-22(28)6)36(7,8)2
    4-13-19(3)27(20(4)14-24)3
    4-17-23(30)11-12-26(31)32
    /h13-16,23,30,33H,9-12,17
    -18H2,1-8H3,(H,31,32);
    NBCWQJGLMDGMMV-UHFFFAOYSA-N    		 CCC(CC)(COc1c(cc(cc1C)[Si](C)(C)c2cc(c(c
    (c2)C)OC[C@H](CCC(=O)O)O)C)C)O; CCC(CC)(
    COc1c(cc(cc1C)[Si](C)(C)c2cc(c(c(c2)C)OC
    C(CCC(=O)O)O)C)C)O; CCC(O)(CC)COc1c(C)cc
    (cc1C)[Si](C)(C)c2cc(C)c(OC[CH](O)CCC(O)
    =O)c(C)c2; CCC(O)(CC)COc1c(C)cc(cc1C)[Si
    ](C)(C)c2cc(C)c(OC[C@@H](O)CCC(O)=O)c(C)
    c2    		 (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3,5-dimethyl-phenyl]-dimethyl-silyl]-2,6-dimethyl-phenoxy]-4-oxidanyl-pentanoic acid
    17670 A1L76 1 C31 H44 O6 Si InChI=1S/C31H44O6Si/c1-7-
    17-38(18-8-2,27-13-15-29(
    24(6)20-27)37-22-31(35,9-
    3)10-4)26-12-14-28(23(5)1
    9-26)36-21-25(32)11-16-30
    (33)34/h7-8,12-15,19-20,2
    5,32,35H,1-2,9-11,16-18,2
    1-22H2,3-6H3,(H,33,34)/t2
    5-/m1/s1;
    ACVDDFOGQPPGOI-RUZDIDTESA-N    		 CCC(CC)(COc1ccc(cc1C)[Si](CC=C)(CC=C)c2c
    cc(c(c2)C)OCC(CCC(=O)O)O)O; CCC(O)(CC)CO
    c1ccc(cc1C)[Si](CC=C)(CC=C)c2ccc(OC[C@@H
    ](O)CCC(O)=O)c(C)c2; CCC(O)(CC)COc1ccc(c
    c1C)[Si](CC=C)(CC=C)c2ccc(OC[CH](O)CCC(O
    )=O)c(C)c2; CCC(CC)(COc1ccc(cc1C)[Si](CC
    =C)(CC=C)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O
    )O    		 (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-bis(prop-2-enyl)silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid
    17671 A1L77 1 C33 H52 O6 Si InChI=1S/C33H52O6Si/c1-7-
    11-19-40(20-12-8-2,29-15-
    17-31(26(6)22-29)39-24-33
    (37,9-3)10-4)28-14-16-30(
    25(5)21-28)38-23-27(34)13
    -18-32(35)36/h14-17,21-22
    ,27,34,37H,7-13,18-20,23-
    24H2,1-6H3,(H,35,36)/t27-
    /m0/s1;
    VIAQTQKQQPBVMW-MHZLTWQESA-N    		 CCCC[Si](CCCC)(c1ccc(c(c1)C)OC[C@H](CCC(
    =O)O)O)c2ccc(c(c2)C)OCC(CC)(CC)O; CCCC[S
    i](CCCC)(c1ccc(c(c1)C)OCC(CCC(=O)O)O)c2c
    cc(c(c2)C)OCC(CC)(CC)O; CCCC[Si](CCCC)(c
    1ccc(OC[C@@H](O)CCC(O)=O)c(C)c1)c2ccc(OC
    C(O)(CC)CC)c(C)c2; CCCC[Si](CCCC)(c1ccc(
    OC[CH](O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC
    )CC)c(C)c2    		 (4~{S})-5-[4-[dibutyl-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid
    17672 A1L78 1 C29 H44 O6 Si InChI=1S/C29H44O6Si/c1-7-
    29(33,8-2)20-35-27-15-13-
    25(18-22(27)6)36(9-3,10-4
    )24-12-14-26(21(5)17-24)3
    4-19-23(30)11-16-28(31)32
    /h12-15,17-18,23,30,33H,7
    -11,16,19-20H2,1-6H3,(H,3
    1,32)/t23-/m1/s1;
    ACMSFXPVKXNDEF-HSZRJFAPSA-N    		 CCC(CC)(COc1ccc(cc1C)[Si](CC)(CC)c2ccc(c
    (c2)C)OC[C@H](CCC(=O)O)O)O; CCC(O)(CC)CO
    c1ccc(cc1C)[Si](CC)(CC)c2ccc(OC[CH](O)CC
    C(O)=O)c(C)c2; CCC(O)(CC)COc1ccc(cc1C)[S
    i](CC)(CC)c2ccc(OC[C@@H](O)CCC(O)=O)c(C)
    c2; CCC(CC)(COc1ccc(cc1C)[Si](CC)(CC)c2c
    cc(c(c2)C)OCC(CCC(=O)O)O)O    		 (4~{S})-5-[4-[diethyl-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid
    17673 A1L79 1 C31 H48 O6 Si InChI=1S/C31H48O6Si/c1-7-
    17-38(18-8-2,27-13-15-29(
    24(6)20-27)37-22-31(35,9-
    3)10-4)26-12-14-28(23(5)1
    9-26)36-21-25(32)11-16-30
    (33)34/h12-15,19-20,25,32
    ,35H,7-11,16-18,21-22H2,1
    -6H3,(H,33,34)/t25-/m0/s1;
    WEFOCDOWLUCQPS-VWLOTQADSA-N    		 CCC[Si](CCC)(c1ccc(c(c1)C)OC[C@H](CCC(=O
    )O)O)c2ccc(c(c2)C)OCC(CC)(CC)O; CCC[Si](
    CCC)(c1ccc(c(c1)C)OCC(CCC(=O)O)O)c2ccc(c
    (c2)C)OCC(CC)(CC)O; CCC[Si](CCC)(c1ccc(O
    C[C@@H](O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(C
    C)CC)c(C)c2; CCC[Si](CCC)(c1ccc(OC[CH](O
    )CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c(C)
    c2    		 (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-dipropyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid
    17674 A1L7A 1 C12 H8 F N O5 InChI=1S/C12H8FNO5/c1-2-5
    -14-8-4-3-7(13)6-9(8)19-1
    2(18,10(14)15)11(16)17/h1
    ,3-4,6,18H,5H2,(H,16,17)/
    t12-/m1/s1;
    WTUVRXLEVFSMKU-GFCCVEGCSA-N    		 OC(=O)[C@]1(O)Oc2cc(F)ccc2N(CC#C)C1=O; C
    #CCN1c2ccc(cc2OC(C1=O)(C(=O)O)O)F; OC(=O
    )[C]1(O)Oc2cc(F)ccc2N(CC#C)C1=O; C#CCN1c
    2ccc(cc2O[C@](C1=O)(C(=O)O)O)F    		 (2~{R})-7-fluoranyl-2-oxidanyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazine-2-carboxylic acid
    17675 A1L7B
    CHEMBL315108    		 2 C13 H9 Br N4 O3 InChI=1S/C13H9BrN4O3/c14-
    9-3-1-8(2-4-9)10-5-15-12(
    21-10)6-16-18-7-11(19)17-
    13(18)20/h1-6H,7H2,(H,17,
    19,20)/b16-6+;
    SEGCNGONCZQFDW-OMCISZLKSA-N    		 Brc1ccc(cc1)c2oc(C=NN3CC(=O)NC3=O)nc2; c
    1cc(ccc1c2cnc(o2)/C=N/N3CC(=O)NC3=O)Br;
    c1cc(ccc1c2cnc(o2)C=NN3CC(=O)NC3=O)Br; B
    rc1ccc(cc1)c2oc(\C=N\N3CC(=O)NC3=O)nc2    		 Azumolene
    17676 A1L7C 1 C15 H30 N3 O8 P InChI=1S/C15H30N3O8P/c1-1
    1(19)16-7-4-5-8-17-12(20)
    6-9-18-14(22)13(21)15(2,3
    )10-26-27(23,24)25/h13,21
    H,4-10H2,1-3H3,(H,16,19)(
    H,17,20)(H,18,22)(H2,23,2
    4,25)/t13-/m0/s1;
    WELIAYKYJCYRGJ-ZDUSSCGKSA-N    		 CC(=O)NCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C
    OP(=O)(O)O)O; CC(=O)NCCCCNC(=O)CCNC(=O)C
    (C(C)(C)COP(=O)(O)O)O; CC(=O)NCCCCNC(=O)
    CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O; CC(
    =O)NCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[
    P](O)(O)=O    		 [(3~{R})-4-[[3-(4-acetamidobutylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
    17677 A1L7D 1 C20 H15 N3 O4 InChI=1S/C20H15N3O4/c1-22
    -18(25)16(10-21-22)17(24)
    13-7-8-14-15(9-13)20(27)2
    3(19(14)26)11-12-5-3-2-4-
    6-12/h2-10,25H,11H2,1H3;
    GNZCKXMCPWJIFN-UHFFFAOYSA-N    		 Cn1ncc(c1O)C(=O)c2ccc3C(=O)N(Cc4ccccc4)C
    (=O)c3c2; Cn1c(c(cn1)C(=O)c2ccc3c(c2)C(=
    O)N(C3=O)Cc4ccccc4)O    		 5-(1-methyl-5-oxidanyl-pyrazol-4-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione
    17678 A1L7E 2 C11 H11 I N2 O2 InChI=1S/C11H11IN2O2/c12-
    8-3-1-2-7-6(5-14-10(7)8)4
    -9(13)11(15)16/h1-3,5,9,1
    4H,4,13H2,(H,15,16)/t9-/m
    0/s1;
    VOMLUUOHUWEUIZ-VIFPVBQESA-N    		 N[CH](Cc1c[nH]c2c(I)cccc12)C(O)=O; c1cc2
    c(c[nH]c2c(c1)I)C[C@@H](C(=O)O)N; c1cc2c
    (c[nH]c2c(c1)I)CC(C(=O)O)N; N[C@@H](Cc1c
    [nH]c2c(I)cccc12)C(O)=O    		 (2~{S})-2-azanyl-3-(7-iodanyl-1~{H}-indol-3-yl)propanoic acid
    17679 A1L7G 2 C17 H20 N2 O4 InChI=1S/C17H20N2O4/c20-9
    -3-8-18-15(17(22)23)11-16
    (21)19-14-7-6-12-4-1-2-5-
    13(12)10-14/h1-2,4-7,10,1
    5,18,20H,3,8-9,11H2,(H,19
    ,21)(H,22,23)/t15-/m0/s1;
    XGSOJHFXQLOTSQ-HNNXBMFYSA-N    		 OCCCN[C@@H](CC(=O)Nc1ccc2ccccc2c1)C(O)=O
    ; c1ccc2cc(ccc2c1)NC(=O)C[C@@H](C(=O)O)N
    CCCO; OCCCN[CH](CC(=O)Nc1ccc2ccccc2c1)C(
    O)=O; c1ccc2cc(ccc2c1)NC(=O)CC(C(=O)O)NC
    CCO    		 (2~{S})-4-(naphthalen-2-ylamino)-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid
    17680 A1L7J 1 C22 H24 F3 N4 O5 P InChI=1S/C22H24F3N4O5P/c1
    -3-11-29-20(30)18-19(28(2
    1(29)31)12-4-5-13-35(32,3
    3)34)26-17(27(18)2)10-9-1
    5-7-6-8-16(14-15)22(23,24
    )25/h1,6-8,14H,4-5,9-13H2
    ,2H3,(H2,32,33,34);
    HMTOKAHHYDQCJD-UHFFFAOYSA-N    		 Cn1c(nc2c1C(=O)N(C(=O)N2CCCCP(=O)(O)O)CC
    #C)CCc3cccc(c3)C(F)(F)F; Cn1c(CCc2cccc(c
    2)C(F)(F)F)nc3N(CCCC[P](O)(O)=O)C(=O)N(C
    C#C)C(=O)c13    		 4-[7-methyl-2,6-bis(oxidanylidene)-1-prop-2-ynyl-8-[2-[3-(trifluoromethyl)phenyl]ethyl]purin-3-yl]butylphosphonic acid
    17681 A1L7K 0 C8 H14 N2 O3 InChI=1S/C8H14N2O3/c9-6(8
    (12)13)4-5-2-1-3-10-7(5)1
    1/h5-6H,1-4,9H2,(H,10,11)
    (H,12,13)/t5-,6-/m0/s1;
    OVWKHGGFYXIBGJ-WDSKDSINSA-N    		 C1CC(C(=O)NC1)CC(C(=O)O)N; C1C[C@H](C(=O
    )NC1)C[C@@H](C(=O)O)N; N[CH](C[CH]1CCCNC
    1=O)C(O)=O; N[C@@H](C[C@@H]1CCCNC1=O)C(O
    )=O    		 (2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanoic acid;
    (S)-2-amino-3-((S)-2-oxopiperidin-3-yl)propanoic acid
    17682 A1L7L 0 C8 H15 N O2 InChI=1S/C8H15NO2/c1-9-7(
    8(10)11)5-6-3-2-4-6/h6-7,
    9H,2-5H2,1H3,(H,10,11)/t7
    -/m0/s1;
    FWFFEJNSBQYNAZ-ZETCQYMHSA-N    		 CN[C@@H](CC1CCC1)C(=O)O; CNC(CC1CCC1)C(=
    O)O; CN[C@@H](CC1CCC1)C(O)=O; CN[CH](CC1
    CCC1)C(O)=O    		 (2~{S})-3-cyclobutyl-2-(methylamino)propanoic acid;
    N-methyl-L-cyclobutylalanine
    17683 A1L7M 6 C4 H7 N O2 InChI=1S/C4H7NO2/c6-4(7)5
    -3-1-2-3/h3,5H,1-2H2,(H,6
    ,7);
    JHFINHOBWIGQHJ-UHFFFAOYSA-N    		 OC(=O)NC1CC1; C1CC1NC(=O)O cyclopropylcarbamic acid
    17684 A1L7N 0 C6 H13 N O2 InChI=1S/C6H13NO2/c1-3-4-
    5(7-2)6(8)9/h5,7H,3-4H2,1
    -2H3,(H,8,9)/t5-/m0/s1;
    HCPKYUNZBPVCHC-YFKPBYRVSA-N    		 CCCC(C(=O)O)NC; CCC[CH](NC)C(O)=O; CCC[C
    @@H](C(=O)O)NC; CCC[C@H](NC)C(O)=O    		 N-Methyl-L-norvaline;
    (2~{S})-2-(methylamino)pentanoic acid
    17685 A1L7O 2 C24 H32 N2 O2 InChI=1S/C24H32N2O2/c27-2
    3-9-4-8-22(16-23)21-10-13
    -25(14-11-21)18-24-19-26(
    12-5-15-28-24)17-20-6-2-1
    -3-7-20/h1-4,6-9,16,21,24
    ,27H,5,10-15,17-19H2/t24-
    /m0/s1;
    UQIBNGMNYAIMIZ-DEOSSOPVSA-N    		 c1ccc(cc1)CN2CCCOC(C2)CN3CCC(CC3)c4cccc(
    c4)O; Oc1cccc(c1)C2CCN(CC2)C[C@H]3CN(CCC
    O3)Cc4ccccc4; Oc1cccc(c1)C2CCN(CC2)C[CH]
    3CN(CCCO3)Cc4ccccc4; c1ccc(cc1)CN2CCCO[C
    @H](C2)CN3CCC(CC3)c4cccc(c4)O    		 3-[1-[[(2~{S})-4-(phenylmethyl)-1,4-oxazepan-2-yl]methyl]piperidin-4-yl]phenol
    17686 A1L7P 2 C24 H18 F3 N5 O2 InChI=1S/C24H18F3N5O2/c1-
    14-6-18(10-28-9-14)32-23(
    33)29-22(30-12-16-4-2-3-5
    -17(16)13-30)31(24(32)34)
    11-15-7-19(25)21(27)20(26
    )8-15/h2-10H,11-13H2,1H3;
    OSHILUBZOLSXOR-UHFFFAOYSA-N    		 Cc1cc(cnc1)N2C(=O)N=C(N(C2=O)Cc3cc(c(c(c
    3)F)F)F)N4Cc5ccccc5C4; Cc1cncc(c1)N2C(=O
    )N=C(N3Cc4ccccc4C3)N(Cc5cc(F)c(F)c(F)c5)
    C2=O    		 6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-1-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
    17687 A1L7Q 2 C27 H22 F3 N5 O2 InChI=1S/C27H22F3N5O2/c1-
    16-8-20(13-32-12-16)35-26
    (36)21(9-17-10-22(28)24(3
    0)23(29)11-17)25(34(7-6-3
    1)27(35)37)33-14-18-4-2-3
    -5-19(18)15-33/h2-6,8,10-
    13,31H,7,9,14-15H2,1H3/b3
    1-6-;
    XJHRRUKAUCQCNU-SVRKQYBGSA-N    		 [H]/N=C\CN1C(=C(C(=O)N(C1=O)c2cc(cnc2)C)
    Cc3cc(c(c(c3)F)F)F)N4Cc5ccccc5C4; Cc1cc(
    cnc1)N2C(=O)C(=C(N(C2=O)CC=N)N3Cc4ccccc4
    C3)Cc5cc(c(c(c5)F)F)F; Cc1cncc(c1)N2C(=O
    )N(CC=N)C(=C(Cc3cc(F)c(F)c(F)c3)C2=O)N4C
    c5ccccc5C4    		 1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
    17688 A1L7R 1 C23 H18 Cl2 F3 N5 O2 InChI=1S/C23H18Cl2F3N5O2/
    c24-14-6-15(8-30-7-14)33-
    20(34)18(13-1-2-17(26)16(
    25)5-13)19(32(4-3-29)21(3
    3)35)31-11-22(12-31)9-23(
    27,28)10-22/h1-3,5-8,29H,
    4,9-12H2;
    RXJZRRLUUSKVDH-UHFFFAOYSA-N    		 Fc1ccc(cc1Cl)C2=C(N3CC4(C3)CC(F)(F)C4)N(
    CC=N)C(=O)N(C2=O)c5cncc(Cl)c5; c1cc(c(cc
    1C2=C(N(C(=O)N(C2=O)c3cc(cnc3)Cl)CC=N)N4
    CC5(C4)CC(C5)(F)F)Cl)F    		 1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione
    17689 A1L7S 1 C24 H35 N3 O5 S InChI=1S/C24H35N3O5S/c1-3
    0-21-15-14-18(17-22(21)31
    -2)9-8-13-23-25-24(32-26-
    23)20-12-6-7-16-27(20)33(
    28,29)19-10-4-3-5-11-19/h
    14-15,17,19-20H,3-13,16H2
    ,1-2H3/t20-/m0/s1;
    RPFKIQSMYIANNB-FQEVSTJZSA-N    		 COc1ccc(cc1OC)CCCc2nc(on2)[C@@H]3CCCCN3S
    (=O)(=O)C4CCCCC4; COc1ccc(CCCc2noc(n2)[C
    @@H]3CCCCN3[S](=O)(=O)C4CCCCC4)cc1OC; CO
    c1ccc(cc1OC)CCCc2nc(on2)C3CCCCN3S(=O)(=O
    )C4CCCCC4; COc1ccc(CCCc2noc(n2)[CH]3CCCC
    N3[S](=O)(=O)C4CCCCC4)cc1OC    		 5-[(2~{S})-1-cyclohexylsulfonylpiperidin-2-yl]-3-[3-(3,4-dimethoxyphenyl)propyl]-1,2,4-oxadiazole
    17690 A1L7T 3 C5 H11 N O3 InChI=1S/C5H11NO3/c1-5(2,
    6)3(7)4(8)9/h3,7H,6H2,1-2
    H3,(H,8,9)/t3-/m0/s1;
    YNEGEPKXRPUBDF-VKHMYHEASA-N    		 CC(C)(N)[C@@H](O)C(O)=O; CC(C)(C(C(=O)O)
    O)N; CC(C)([C@H](C(=O)O)O)N; CC(C)(N)[CH
    ](O)C(O)=O    		 (2~{R})-3-azanyl-3-methyl-2-oxidanyl-butanoic acid;
    2-aminoisobutyric acid
    17691 A1L7U 0 C16 H15 N O5 InChI=1S/C16H15NO5/c1-7-4
    -13(18)22-14-8(2)15-11(5-
    10(7)14)12(9(3)21-15)6-17
    -16(19)20/h4-5,17H,6H2,1-
    3H3,(H,19,20);
    AAEQVUGUZZPHHC-UHFFFAOYSA-N    		 Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CNC(=O)
    O; Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1CNC(O)
    =O    		 (2,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-3-yl)methylcarbamic acid
    17692 A1L7V 1 C12 H24 N O7 S2 InChI=1S/C12H24NO7S2/c1-2
    2(19)5-3-2-4-8(13-18)21-1
    2-11(17)10(16)9(15)7(6-14
    )20-12/h7,9-12,14-19H,2-6
    H2,1H3/b13-8-/t7-,9-,10+,
    11-,12+/m1/s1;
    JVJFEIQKNHAMBL-AHMUMSBHSA-N    		 C[S@@](CCCC/C(=N/O)/S[C@H]1[C@@H]([C@H](
    [C@@H]([C@H](O1)CO)O)O)O)O; C[S@](O)CCCC
    \C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C
    @H]1O)=N\O; C[S](CCCCC(=NO)SC1C(C(C(C(O1
    )CO)O)O)O)O; C[S](O)CCCCC(S[CH]1O[CH](CO
    )[CH](O)[CH](O)[CH]1O)=NO    		 [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{Z})-5-[methyl(oxidanyl)-$l^{3}-sulfanyl]-~{N}-oxidanyl-pentanimidothioate
    17693 A1L7W 1 C16 H16 N6 O2 InChI=1S/C16H16N6O2/c17-7
    -11-2-1-3-13(6-11)15-20-2
    1-16(24-15)14(23)19-8-12-
    4-5-22(9-12)10-18/h1-3,6,
    10,12,18H,4-5,8-9H2,(H,19
    ,23)/b18-10-/t12-/m0/s1;
    WRBUPGZBRUFZCK-XACIZNRCSA-N    		 [H]/N=C\N1CC[C@H](C1)CNC(=O)c2nnc(o2)c3c
    ccc(c3)C#N; N=CN1CC[CH](CNC(=O)c2oc(nn2)
    c3cccc(c3)C#N)C1; N=CN1CC[C@@H](CNC(=O)c
    2oc(nn2)c3cccc(c3)C#N)C1; c1cc(cc(c1)c2n
    nc(o2)C(=O)NCC3CCN(C3)C=N)C#N    		 5-(3-cyanophenyl)-~{N}-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]methyl]-1,3,4-oxadiazole-2-carboxamide
    17694 A1L7X 1 C27 H34 F6 O6 Si InChI=1S/C27H34F6O6Si/c1-
    5-25(37,6-2)16-39-23-11-9
    -19(14-21(23)27(31,32)33)
    40(3,4)18-8-10-22(20(13-1
    8)26(28,29)30)38-15-17(34
    )7-12-24(35)36/h8-11,13-1
    4,17,34,37H,5-7,12,15-16H
    2,1-4H3,(H,35,36)/t17-/m1
    /s1;
    FOBWZYOIZWJMHE-QGZVFWFLSA-N    		 CCC(O)(CC)COc1ccc(cc1C(F)(F)F)[Si](C)(C)
    c2ccc(OC[C@@H](O)CCC(O)=O)c(c2)C(F)(F)F;
    CCC(CC)(COc1ccc(cc1C(F)(F)F)[Si](C)(C)c
    2ccc(c(c2)C(F)(F)F)OCC(CCC(=O)O)O)O; CCC
    (CC)(COc1ccc(cc1C(F)(F)F)[Si](C)(C)c2ccc
    (c(c2)C(F)(F)F)OC[C@H](CCC(=O)O)O)O; CCC
    (O)(CC)COc1ccc(cc1C(F)(F)F)[Si](C)(C)c2c
    cc(OC[CH](O)CCC(O)=O)c(c2)C(F)(F)F    		 (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-(trifluoromethyl)phenyl]-dimethyl-silyl]-2-(trifluoromethyl)phenoxy]-4-oxidanyl-pentanoic acid
    17695 A1L7Y 1 C25 H34 Cl2 O6 Si InChI=1S/C25H34Cl2O6Si/c1
    -5-25(31,6-2)16-33-23-11-
    9-19(14-21(23)27)34(3,4)1
    8-8-10-22(20(26)13-18)32-
    15-17(28)7-12-24(29)30/h8
    -11,13-14,17,28,31H,5-7,1
    2,15-16H2,1-4H3,(H,29,30)
    /t17-/m0/s1;
    WUCFPULJDHVZFU-KRWDZBQOSA-N    		 CCC(CC)(COc1ccc(cc1Cl)[Si](C)(C)c2ccc(c(
    c2)Cl)OCC(CCC(=O)O)O)O; CCC(O)(CC)COc1cc
    c(cc1Cl)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O
    )=O)c(Cl)c2; CCC(CC)(COc1ccc(cc1Cl)[Si](
    C)(C)c2ccc(c(c2)Cl)OC[C@H](CCC(=O)O)O)O;
    CCC(O)(CC)COc1ccc(cc1Cl)[Si](C)(C)c2ccc
    (OC[CH](O)CCC(O)=O)c(Cl)c2    		 (4~{S})-5-[2-chloranyl-4-[[3-chloranyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid
    17696 A1L7Z 2 C29 H44 O6 Si InChI=1S/C29H44O6Si/c1-7-
    21-17-24(12-14-26(21)34-1
    9-23(30)11-16-28(31)32)36
    (5,6)25-13-15-27(22(8-2)1
    8-25)35-20-29(33,9-3)10-4
    /h12-15,17-18,23,30,33H,7
    -11,16,19-20H2,1-6H3,(H,3
    1,32)/t23-/m0/s1;
    GKOWYUYIKZRUDT-QHCPKHFHSA-N    		 CCc1cc(ccc1OC[CH](O)CCC(O)=O)[Si](C)(C)c
    2ccc(OCC(O)(CC)CC)c(CC)c2; CCc1cc(ccc1OC
    [C@H](CCC(=O)O)O)[Si](C)(C)c2ccc(c(c2)CC
    )OCC(CC)(CC)O; CCc1cc(ccc1OC[C@@H](O)CCC
    (O)=O)[Si](C)(C)c2ccc(OCC(O)(CC)CC)c(CC)
    c2; CCc1cc(ccc1OCC(CCC(=O)O)O)[Si](C)(C)
    c2ccc(c(c2)CC)OCC(CC)(CC)O    		 (4~{S})-5-[2-ethyl-4-[[3-ethyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid
    17697 A1L81 3 C14 H19 N3 O8 InChI=1S/C14H17N3O8/c18-1
    2(15-5-3-1-2-4-13(19)20)8
    -9-6-10(16(22)23)14(21)11
    (7-9)17(24)25/h6-7H,1-5,8
    H2,(H3-2,15,18,19,20,21,2
    2,23,24,25)/p+2;
    QPRRCFGXTFIQKQ-UHFFFAOYSA-P    		 c1c(cc(c(c1[N+](=O)O)O)[N+](=O)O)CC(=O)N
    CCCCCC(=O)O; OC(=O)CCCCCNC(=O)Cc1cc(c(O)
    c(c1)[N+](O)=O)[N+](O)=O    		 6-[2-(3,5-dinitro-4-oxidanyl-phenyl)ethanoylamino]hexanoic acid
    17698 A1L82 0 C10 H21 F N3 O7 P InChI=1S/C10H21FN3O7P/c1-
    10(11)4-14(9(16)13-8(10)1
    2)7-2-5(15)6(21-7)3-20-22
    (17,18)19/h5-9,13,15-16H,
    2-4,12H2,1H3,(H2,17,18,19
    )/t5-,6+,7+,8+,9+,10-/m0/
    s1;
    BPWPSMUBYMMKQY-LIKBTPFBSA-N    		 CC1(CN(C(NC1N)O)C2CC(C(O2)COP(=O)(O)O)O)
    F; C[C@@]1(CN([C@@H](N[C@H]1N)O)[C@H]2C[
    C@@H]([C@H](O2)COP(=O)(O)O)O)F; C[C]1(F)
    CN([CH](O)N[CH]1N)[CH]2C[CH](O)[CH](CO[P
    ](O)(O)=O)O2; C[C@]1(F)CN([C@H](O)N[C@H]
    1N)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O
    2    		 [(2~{R},3~{S},5~{R})-5-[(2~{R},4~{R},5~{S})-4-azanyl-5-fluoranyl-5-methyl-2-oxidanyl-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    17699 A1L89
    CHEMBL1950792    		 9 C19 H27 N7 O21 P4 InChI=1S/C19H27N7O21P4/c2
    0-15-10-16(22-5-21-15)26(
    6-23-10)18-14(31)12(29)8(
    44-18)4-42-49(35,36)46-51
    (39,40)47-50(37,38)45-48(
    33,34)41-3-7-11(28)13(30)
    17(43-7)25-2-1-9(27)24-19
    (25)32/h1-2,5-8,11-14,17-
    18,28-31H,3-4H2,(H,33,34)
    (H,35,36)(H,37,38)(H,39,4
    0)(H2,20,21,22)(H,24,27,3
    2)/t7-,8-,11-,12-,13-,14-
    ,17-,18-/m1/s1;
    ADWZBTIGCZHWBW-KPKSGTNCSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=
    O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[C@
    H]4O[C@H]([C@H](O)[C@@H]4O)N5C=CC(=O)NC5
    =O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)C
    3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP
    (=O)(O)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)O)
    O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C
    @@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(
    O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O
    4)N5C=CC(=O)NC5=O)O)O)O)O)N; Nc1ncnc2n(c
    nc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O
    [P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O
    )[CH]4O)N5C=CC(=O)NC5=O)[CH](O)[CH]3O    		 P1-(5'-Adenosyl) P4-(5'-uridyl) tetraphosphate;
    [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate;
    Adenosine(5')tetraphosphate uridine;
    Ap4U
    17700 A1L8A 1 C32 H42 O6 Si InChI=1S/C32H42O6Si/c1-6-
    32(36,7-2)22-38-30-17-15-
    28(20-24(30)4)39(5,26-11-
    9-8-10-12-26)27-14-16-29(
    23(3)19-27)37-21-25(33)13
    -18-31(34)35/h8-12,14-17,
    19-20,25,33,36H,6-7,13,18
    ,21-22H2,1-5H3,(H,34,35)/
    t25?,39-/m1/s1;
    OGWGETOGIMXEHG-DGXSBJFJSA-N    		 CCC(CC)(COc1ccc(cc1C)[Si@](C)(c2ccccc2)c
    3ccc(c(c3)C)OC[C@H](CCC(=O)O)O)O; CCC(CC
    )(COc1ccc(cc1C)[Si](C)(c2ccccc2)c3ccc(c(
    c3)C)OCC(CCC(=O)O)O)O; CCC(O)(CC)COc1ccc
    (cc1C)[Si@](C)(c2ccccc2)c3ccc(OC[C@@H](O
    )CCC(O)=O)c(C)c3; CCC(O)(CC)COc1ccc(cc1C
    )[Si](C)(c2ccccc2)c3ccc(OC[CH](O)CCC(O)=
    O)c(C)c3    		 (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-phenyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid
    17701 A1L8B 1 C29 H44 O6 Si InChI=1S/C29H44O6Si/c1-7-
    16-36(6,25-12-14-27(22(5)
    18-25)35-20-29(33,8-2)9-3
    )24-11-13-26(21(4)17-24)3
    4-19-23(30)10-15-28(31)32
    /h11-14,17-18,23,30,33H,7
    -10,15-16,19-20H2,1-6H3,(
    H,31,32)/t23-,36+/m0/s1;
    QIPUEXXIUNZLGD-RJVOLCHMSA-N    		 CCC[Si@](C)(c1ccc(c(c1)C)OC[C@H](CCC(=O)
    O)O)c2ccc(c(c2)C)OCC(CC)(CC)O; CCC[Si](C
    )(c1ccc(c(c1)C)OCC(CCC(=O)O)O)c2ccc(c(c2
    )C)OCC(CC)(CC)O; CCC[Si](C)(c1ccc(OC[CH]
    (O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c(
    C)c2; CCC[Si@](C)(c1ccc(OC[C@@H](O)CCC(O
    )=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c(C)c2    		 (4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-propyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid
    17702 A1L8C 2 C9 H6 O4 InChI=1S/C9H6O4/c10-6-3-1
    -5-2-4-7(11)13-9(5)8(6)12
    /h1-4,10,12H;
    ATEFPOUAMCWAQS-UHFFFAOYSA-N    		 c1cc(c(c2c1C=CC(=O)O2)O)O; Oc1ccc2C=CC(=
    O)Oc2c1O    		 7,8-bis(oxidanyl)chromen-2-one;
    daphnetin
    17703 A1L8D 1 C13 H9 F3 N2 O3 S InChI=1S/C13H9F3N2O3S/c14
    -13(15,16)9-4-6-10(7-5-9)
    22(20,21)18-12(19)11-3-1-
    2-8-17-11/h1-8H,(H,18,19);
    CPWLQDMYBULSTL-UHFFFAOYSA-N    		 c1ccnc(c1)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(
    F)F; FC(F)(F)c1ccc(cc1)[S](=O)(=O)NC(=O)
    c2ccccn2    		 ~{N}-[4-(trifluoromethyl)phenyl]sulfonylpyridine-2-carboxamide
    17704 A1L8E 1 C39 H50 N O3 P InChI=1S/C39H50NO3P/c1-33
    -32-34(41)27-28-37(33)39(
    42)43-30-20-10-8-6-4-2-3-
    5-7-9-11-21-31-44(35-22-1
    4-12-15-23-35,36-24-16-13
    -17-25-36)38-26-18-19-29-
    40-38/h12-19,22-29,32,41,
    44H,2-11,20-21,30-31H2,1H
    3;
    XOLHROXNDQJWIB-UHFFFAOYSA-N    		 Cc1cc(ccc1C(=O)OCCCCCCCCCCCCCCP(c2ccccc2
    )(c3ccccc3)c4ccccn4)O; Cc1cc(O)ccc1C(=O)
    OCCCCCCCCCCCCCC[PH](c2ccccc2)(c3ccccc3)c
    4ccccn4    		 14-[diphenyl(pyridin-2-yl)-$l^{5}-phosphanyl]tetradecyl 2-methyl-4-oxidanyl-benzoate
    17705 A1L8F
    CHEMBL1221863    		 0 C17 H19 N O4 InChI=1S/C17H19NO4/c1-20-
    15-4-11-12-7-18(13(11)5-1
    4(15)19)6-9-2-16-17(3-10(
    9)12)22-8-21-16/h2-4,12-1
    5,19H,5-8H2,1H3/t12-,13-,
    14-,15-/m0/s1;
    MKYLOMHWHWEFCT-AJNGGQMLSA-N    		 COC1C=C2C(CC1O)N3Cc4cc5c(cc4C2C3)OCO5; C
    O[C@H]1C=C2[C@H](C[C@@H]1O)[N@@]3C[C@H]2
    c4cc5OCOc5cc4C3; CO[C@H]1C=C2[C@H](C[C@@
    H]1O)[N@]3Cc4cc5c(cc4[C@@H]2C3)OCO5; CO[
    CH]1C=C2[CH](C[CH]1O)[N]3C[CH]2c4cc5OCOc
    5cc4C3    		 (1S,13S,15S,16S)-16-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-15-ol;
    Montanine
    17706 A1L8G 1 C11 H12 N2 O S InChI=1S/C11H12N2OS/c1-13
    (10-5-3-2-4-6-10)11-12-9(
    7-14)8-15-11/h2-6,8,14H,7
    H2,1H3;
    ZDTJXRHMIPGVKX-UHFFFAOYSA-N    		 CN(c1scc(CO)n1)c2ccccc2; CN(c1ccccc1)c2n
    c(cs2)CO    		 [2-[methyl(phenyl)amino]-1,3-thiazol-4-yl]methanol
    17707 A1L8H 0 C4 H2 Cl N O2 S InChI=1S/C4H2ClNO2S/c5-4-
    6-2(1-9-4)3(7)8/h1H,(H,7,
    8);
    UVYJJJQMZPCYKY-UHFFFAOYSA-N    		 c1c(nc(s1)Cl)C(=O)O; OC(=O)c1csc(Cl)n1 2-chloranyl-1,3-thiazole-4-carboxylic acid
    17708 A1L8I 0 C7 H14 N2 O2 InChI=1S/C7H14N2O2/c8-6(4
    -10)3-5-1-2-9-7(5)11/h5-6
    ,10H,1-4,8H2,(H,9,11)/t5-
    ,6-/m0/s1;
    AVANYHSFGMYIBM-WDSKDSINSA-N    		 C1CNC(=O)C1CC(CO)N; N[CH](CO)C[CH]1CCNC1
    =O; C1CNC(=O)[C@@H]1C[C@@H](CO)N; N[C@H]
    (CO)C[C@@H]1CCNC1=O    		 (3~{S})-3-[(2~{S})-2-azanyl-3-oxidanyl-propyl]pyrrolidin-2-one
    17709 A1L8J 1 C25 H30 O3 InChI=1S/C25H30O3/c1-17(2
    )9-7-10-18(3)11-8-12-19(4
    )15-16-22-23(26)20-13-5-6
    -14-21(20)24(27)25(22)28/
    h5-6,9,11,13-15,28H,7-8,1
    0,12,16H2,1-4H3/b18-11+,1
    9-15+;
    RVUBWVZWMHPOJL-CFBAGHHKSA-N    		 CC(=CCCC(=CCCC(=CCC1=C(C(=O)c2ccccc2C1=O
    )O)C)C)C; CC(C)=CCCC(/C)=C/CCC(/C)=C/CC1
    =C(O)C(=O)c2ccccc2C1=O; CC(=CCC/C(=C/CC/
    C(=C/CC1=C(C(=O)c2ccccc2C1=O)O)/C)/C)C;
    CC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=O)c2cc
    ccc2C1=O    		 2-HYDROXY-3-FARNESYL-1,4-NAPHTHOQUINONE;
    2-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione
    17710 A1L8K 1 C35 H38 Cl F N4 O5 InChI=1S/C35H38ClFN4O5/c1
    -20-15-40(21(2)14-38(20)3
    )23-9-10-27(30(36)11-23)3
    4(42)39-16-22-5-4-6-26(33
    (22)46-19-39)28-13-32(29(
    35(43)44)12-31(28)37)41-2
    4-7-8-25(41)18-45-17-24/h
    4-6,9-13,20-21,24-25H,7-8
    ,14-19H2,1-3H3,(H,43,44)/
    t20-,21-,24-,25+/m1/s1;
    DDERPJUWCXEREZ-YENTXNKWSA-N    		 C[C@@H]1CN([C@@H](CN1c2ccc(c(c2)Cl)C(=O)
    N3Cc4cccc(c4OC3)c5cc(c(cc5F)C(=O)O)N6[C@
    @H]7CC[C@H]6COC7)C)C; CC1CN(C(CN1c2ccc(c
    (c2)Cl)C(=O)N3Cc4cccc(c4OC3)c5cc(c(cc5F)
    C(=O)O)N6C7CCC6COC7)C)C; C[CH]1CN([CH](C
    )CN1C)c2ccc(c(Cl)c2)C(=O)N3COc4c(C3)cccc
    4c5cc(N6[CH]7CC[CH]6COC7)c(cc5F)C(O)=O;
    C[C@@H]1CN([C@H](C)CN1C)c2ccc(c(Cl)c2)C(
    =O)N3COc4c(C3)cccc4c5cc(N6[C@H]7CC[C@@H]
    6COC7)c(cc5F)C(O)=O    		 4-[3-[2-chloro-4-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]benzoyl]-2,4-dihydro-1,3-benzoxazin-8-yl]-5-fluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)benzoic acid
    17711 A1L8M 0 C32 H58 O5 InChI=1S/C32H58O5/c1-3-5-
    7-9-11-13-15-17-19-21-23-
    25-27-32(35)37-30(28-33)2
    9-36-31(34)26-24-22-20-18
    -16-14-12-10-8-6-4-2/h10-
    13,30,33H,3-9,14-29H2,1-2
    H3/b12-10+,13-11-/t30-/m0
    /s1;
    BXDNXAULBWUASM-MBCKKLRHSA-N    		 CCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)
    CCCCCCC/C=C/CCCC; CCCCCC=CCCCCCCCC(=O)O[
    CH](CO)COC(=O)CCCCCCCC=CCCCC; CCCCC\C=C/
    CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=
    C/CCCC; CCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O
    )CCCCCCCC=CCCCC    		 [(2S)-1-oxidanyl-3-[(E)-tetradec-9-enoyl]oxy-propan-2-yl] (Z)-pentadec-9-enoate
    17712 A1L8N
    CHEMBL1192540    		 1 C10 H14 N2 InChI=1S/C10H14N2/c1-8-4-
    5-10(9(2)6-8)12-7-11-3/h4
    -7H,1-3H3,(H,11,12);
    JIIOLEGNERQDIP-UHFFFAOYSA-N    		 Cc1ccc(c(c1)C)N=CNC; Cc1ccc(c(c1)C)/N=C/
    NC; CNC=Nc1ccc(C)cc1C    		 ~{N}'-(2,4-dimethylphenyl)-~{N}-methyl-methanimidamide
    17713 A1L8O 1 C17 H17 N3 O2 S InChI=1S/C17H17N3O2S/c1-1
    1-9-23-10-14(11)17-19-15(
    20-22-17)8-16(21)18-12(2)
    13-6-4-3-5-7-13/h3-7,9-10
    ,12H,8H2,1-2H3,(H,18,21)/
    t12-/m0/s1;
    GKIJGQUFZLYJHC-LBPRGKRZSA-N    		 C[CH](NC(=O)Cc1noc(n1)c2cscc2C)c3ccccc3;
    Cc1cscc1c2nc(no2)CC(=O)N[C@@H](C)c3cccc
    c3; C[C@H](NC(=O)Cc1noc(n1)c2cscc2C)c3cc
    ccc3; Cc1cscc1c2nc(no2)CC(=O)NC(C)c3cccc
    c3    		 2-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-~{N}-[(1~{S})-1-phenylethyl]ethanamide
    17714 A1L8P 2 C10 H12 O7 InChI=1S/C10H12O7/c11-3-5
    -15-9(13)7-1-2-8(17-7)10(
    14)16-6-4-12/h1-2,11-12H,
    3-6H2;
    LGCKSNYTFLNOIN-UHFFFAOYSA-N    		 OCCOC(=O)c1oc(cc1)C(=O)OCCO; c1cc(oc1C(=
    O)OCCO)C(=O)OCCO    		 bis(2-hydroxyethyl) furan-2,5-dicarboxylate
    17715 A1L8Q 3 C61 H88 O2 InChI=1S/C61H88O2/c1-46(2
    )24-15-25-47(3)26-16-27-4
    8(4)28-17-29-49(5)30-18-3
    1-50(6)32-19-33-51(7)34-2
    0-35-52(8)36-21-37-53(9)3
    8-22-39-54(10)40-23-41-55
    (11)44-45-57-56(12)60(62)
    58-42-13-14-43-59(58)61(5
    7)63/h13-14,24,26,28,30,3
    2,34,36,38,40,42-44H,15-2
    3,25,27,29,31,33,35,37,39
    ,41,45H2,1-12H3/b47-26-,4
    8-28+,49-30+,50-32-,51-34
    +,52-36+,53-38+,54-40+,55
    -44+;
    OCQQATZYCNAKQB-JWYOJCMDSA-N    		 CC(C)=CCC\C(C)=C/CC/C(C)=C/CC/C(C)=C/CC\
    C(C)=C/CC\C(C)=C\CC\C(C)=C\CC/C(C)=C/CC/
    C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1
    =O; CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C
    (C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C
    (C)CCC=C(C)CCC=C(C)CCC=C(C)C; CC1=C(C(=O
    )c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=
    C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C
    C/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)
    C; CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)
    =CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)
    =CCC1=C(C)C(=O)c2ccccc2C1=O    		 Menaquinone 10;
    menaquinone-10
    17716 A1L8R
    CHEMBL38433    		 0 C36 H38 N6 InChI=1S/C36H38N6/c1-5-15
    -31-27(11-1)35(28-12-2-6-
    16-32(28)39-31)37-19-9-21
    -41-23-25-42(26-24-41)22-
    10-20-38-36-29-13-3-7-17-
    33(29)40-34-18-8-4-14-30(
    34)36/h1-8,11-18H,9-10,19
    -26H2,(H,37,39)(H,38,40);
    AAMSBOZZFRTUFD-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c3ccccc3n2)NCCCN4CCN(CC4)CC
    CNc5c6ccccc6nc7c5cccc7; C(CNc1c2ccccc2nc
    3ccccc13)CN4CCN(CCCNc5c6ccccc6nc7ccccc57
    )CC4    		 N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine
    17717 A1L8S 0 C4 H12 N O5 P InChI=1S/C4H12NO5P/c1-3(6
    )4(5)2-10-11(7,8)9/h3-4,6
    H,2,5H2,1H3,(H2,7,8,9)/t3
    -,4-/m0/s1;
    FUMMRDYMVGSHMU-IMJSIDKUSA-N    		 C[C@H](O)[C@@H](N)CO[P](O)(O)=O; C[C@@H]
    ([C@H](COP(=O)(O)O)N)O; C[CH](O)[CH](N)C
    O[P](O)(O)=O; CC(C(COP(=O)(O)O)N)O    		 acyclic D-threoninol nucleic acid ;
    [(2~{S},3~{S})-2-azanyl-3-oxidanyl-butyl] dihydrogen phosphate
    17718 A1L8T 4 C35 H44 F2 N8 O3 InChI=1S/C35H44F2N8O3/c1-
    3-35(46)41-28-19-29(40-33
    -21-34(39-22-38-33)45-30(
    8-15-48-45)23-16-24(36)18
    -25(37)17-23)32(47-2)20-3
    1(28)44-9-6-27(7-10-44)43
    -13-11-42(12-14-43)26-4-5
    -26/h16-22,26-27,30H,3-15
    H2,1-2H3,(H,41,46)(H,38,3
    9,40)/t30-/m1/s1;
    SZLYMLSXCABOBL-SSEXGKCCSA-N    		 CCC(=O)Nc1cc(Nc2cc(ncn2)N3OCC[CH]3c4cc(F
    )cc(F)c4)c(OC)cc1N5CCC(CC5)N6CCN(CC6)C7C
    C7; CCC(=O)Nc1cc(Nc2cc(ncn2)N3OCC[C@@H]3
    c4cc(F)cc(F)c4)c(OC)cc1N5CCC(CC5)N6CCN(C
    C6)C7CC7; CCC(=O)Nc1cc(c(cc1N2CCC(CC2)N3
    CCN(CC3)C4CC4)OC)Nc5cc(ncn5)N6[C@H](CCO6
    )c7cc(cc(c7)F)F; CCC(=O)Nc1cc(c(cc1N2CCC
    (CC2)N3CCN(CC3)C4CC4)OC)Nc5cc(ncn5)N6C(C
    CO6)c7cc(cc(c7)F)F    		 ~{N}-[5-[[6-[(3~{R})-3-[3,5-bis(fluoranyl)phenyl]-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-4-methoxy-phenyl]propanamide
    17719 A1L8X
    CHEMBL309263    		 2 C17 H14 O7 InChI=1S/C17H14O7/c1-22-1
    2-4-3-8(5-10(12)19)16-17(
    23-2)15(21)14-11(20)6-9(1
    8)7-13(14)24-16/h3-7,18-2
    0H,1-2H3;
    ZSPZNFOLWQEVQJ-UHFFFAOYSA-N    		 COc1ccc(cc1O)C2=C(OC)C(=O)c3c(O)cc(O)cc3
    O2; COc1ccc(cc1O)C2=C(C(=O)c3c(cc(cc3O2)
    O)O)OC    		 3-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
    17720 A1L8Z 4 C31 H33 F2 N3 O3 InChI=1S/C31H33F2N3O3/c32
    -28-18-24(6-7-25(28)19-30
    (37)34-21-22-4-2-1-3-5-22
    )23-8-10-26(11-9-23)39-17
    -16-35-12-14-36(15-13-35)
    31(38)27-20-29(27)33/h1-1
    1,18,27,29H,12-17,19-21H2
    ,(H,34,37)/t27-,29-/m0/s1;
    QTHCUQVFHXICRM-YTMVLYRLSA-N    		 c1ccc(cc1)CNC(=O)Cc2ccc(cc2F)c3ccc(cc3)O
    CCN4CCN(CC4)C(=O)C5CC5F; c1ccc(cc1)CNC(=
    O)Cc2ccc(cc2F)c3ccc(cc3)OCCN4CCN(CC4)C(=
    O)[C@H]5C[C@@H]5F; F[C@H]1C[C@@H]1C(=O)N
    2CCN(CCOc3ccc(cc3)c4ccc(CC(=O)NCc5ccccc5
    )c(F)c4)CC2; F[CH]1C[CH]1C(=O)N2CCN(CCOc
    3ccc(cc3)c4ccc(CC(=O)NCc5ccccc5)c(F)c4)C
    C2    		 2-[2-fluoranyl-4-[4-[2-[4-[(1~{R},2~{S})-2-fluoranylcyclopropyl]carbonylpiperazin-1-yl]ethoxy]phenyl]phenyl]-~{N}-(phenylmethyl)ethanamide
    17721 A1L97 0 C16 H15 N5 O2 InChI=1S/C16H15N5O2/c17-1
    3(16(22)23)9-11-4-6-12(7-
    5-11)21-10-15(19-20-21)14
    -3-1-2-8-18-14/h1-8,10,13
    H,9,17H2,(H,22,23)/t13-/m
    0/s1;
    LYZLDWFSXMDDEC-ZDUSSCGKSA-N    		 c1ccnc(c1)c2cn(nn2)c3ccc(cc3)C[C@@H](C(=
    O)O)N; c1ccnc(c1)c2cn(nn2)c3ccc(cc3)CC(C
    (=O)O)N; N[CH](Cc1ccc(cc1)n2cc(nn2)c3ccc
    cn3)C(O)=O; N[C@@H](Cc1ccc(cc1)n2cc(nn2)
    c3ccccn3)C(O)=O    		 (2~{S})-2-azanyl-3-[4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)phenyl]propanoic acid
    17722 A1L98
    CHEMBL3962296    		 2 C30 H32 N2 O8 S2 InChI=1S/C30H32N2O8S2/c1-
    3-39-22-12-16-24(17-13-22
    )41(35,36)31-28-20-21(8-7
    -11-29(33)34)30(27-10-6-5
    -9-26(27)28)32-42(37,38)2
    5-18-14-23(15-19-25)40-4-
    2/h5-6,9-10,12-20,31-32H,
    3-4,7-8,11H2,1-2H3,(H,33,
    34);
    KVAYHZPJAGMVIR-UHFFFAOYSA-N    		 CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CCCC(O)=O)
    c(N[S](=O)(=O)c3ccc(OCC)cc3)c4ccccc24; C
    COc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)N
    S(=O)(=O)c4ccc(cc4)OCC)CCCC(=O)O    		 4-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid
    17723 A1L99 1 C35 H34 Cl2 F N3 O6 InChI=1S/C35H34Cl2FN3O6/c
    1-45-23-11-35(12-23)16-40
    (17-35)22-7-27(36)31(28(3
    7)8-22)33(42)39-13-19-3-2
    -4-24(32(19)47-18-39)25-1
    0-30(26(34(43)44)9-29(25)
    38)41-20-5-6-21(41)15-46-
    14-20/h2-4,7-10,20-21,23H
    ,5-6,11-18H2,1H3,(H,43,44
    )/t20-,21+;
    SUMJVNYSGGDBGI-OYRHEFFESA-N    		 COC1CC2(C1)CN(C2)c3cc(Cl)c(c(Cl)c3)C(=O)
    N4COc5c(C4)cccc5c6cc(N7[C@H]8CC[C@@H]7CO
    C8)c(cc6F)C(O)=O; COC1CC2(C1)CN(C2)c3cc(
    c(c(c3)Cl)C(=O)N4Cc5cccc(c5OC4)c6cc(c(cc
    6F)C(=O)O)N7C8CCC7COC8)Cl; COC1CC2(C1)CN
    (C2)c3cc(Cl)c(c(Cl)c3)C(=O)N4COc5c(C4)cc
    cc5c6cc(N7[CH]8CC[CH]7COC8)c(cc6F)C(O)=O
    ; COC1CC2(C1)CN(C2)c3cc(c(c(c3)Cl)C(=O)N
    4Cc5cccc(c5OC4)c6cc(c(cc6F)C(=O)O)N7[C@@
    H]8CC[C@H]7COC8)Cl    		 4-[3-[2,6-dichloro-4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)benzoyl]-2,4-dihydro-1,3-benzoxazin-8-yl]-5-fluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)benzoic acid
    17724 A1L9B
    CHEMBL1762621
    DB05983    		 6 C32 H43 N O4 InChI=1S/C32H43NO4/c1-27(
    2)11-13-32(26(36)37-8)14-
    12-31(7)24(20(32)17-27)21
    (34)15-23-29(5)16-19(18-3
    3)25(35)28(3,4)22(29)9-10
    -30(23,31)6/h15-16,20,22,
    24H,9-14,17H2,1-8H3/t20?,
    22?,24?,29-,30+,31+,32-/m
    0/s1;
    WPTTVJLTNAWYAO-UFHYVYMVSA-N    		 COC(=O)[C]12CCC(C)(C)C[CH]1[CH]3C(=O)C=C
    4[C](C)(CC[CH]5C(C)(C)C(=O)C(=C[C]45C)C#
    N)[C]3(C)CC2; COC(=O)[C@]12CCC(C)(C)C[C@
    H]1[C@H]3C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(
    C)C(=O)C(=C[C@]45C)C#N)[C@]3(C)CC2; CC1(
    CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(
    C(=O)C5(C)C)C#N)C)C)C)C(=O)OC)C; C[C@@]1
    2CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2
    (CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C
    )(C)C)C(=O)OC    		 methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate;
    CDDO-Me
    17725 A1L9C 1 C19 H21 N3 O7 S InChI=1S/C19H21N3O7S/c1-1
    2(23)20-14-2-4-15(5-3-14)
    30(28,29)22-8-6-21(7-9-22
    )19(27)13-10-16(24)18(26)
    17(25)11-13/h2-5,10-11,24
    -26H,6-9H2,1H3,(H,20,23);
    NFOKZCLOJWTFRN-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O
    )c3cc(c(c(c3)O)O)O; CC(=O)Nc1ccc(cc1)[S]
    (=O)(=O)N2CCN(CC2)C(=O)c3cc(O)c(O)c(O)c3    		 ~{N}-[4-[4-[3,4,5-tris(oxidanyl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide
    17726 A1L9D 2 C32 H31 N3 O7 S2 InChI=1S/C32H31N3O7S2/c1-
    3-41-24-11-15-26(16-12-24
    )43(37,38)33-30-21-23(22-
    31(36)35-19-7-8-20-35)32(
    29-10-6-5-9-28(29)30)34-4
    4(39,40)27-17-13-25(14-18
    -27)42-4-2/h5-21,33-34H,3
    -4,22H2,1-2H3;
    KDYIBFKQLTXJDP-UHFFFAOYSA-N    		 CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CC(=O)n3cc
    cc3)c(N[S](=O)(=O)c4ccc(OCC)cc4)c5ccccc2
    5; CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2ccc
    c3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)n5cccc5    		 4-ethoxy-~{N}-[4-[(4-ethoxyphenyl)sulfonylamino]-3-(2-oxidanylidene-2-pyrrol-1-yl-ethyl)naphthalen-1-yl]benzenesulfonamide
    17727 A1L9E 1 C40 H48 F3 N7 O4 InChI=1S/C40H48F3N7O4/c1-
    4-32(51)50-22-39(23-50)12
    -17-49(18-13-39)37-29-20-
    28(26-7-8-26)34(33-25(2)6
    -9-31-30(33)21-44-47-31)3
    6(53-24-40(41,42)43)35(29
    )45-38(46-37)54-27-10-15-
    48(16-11-27)14-5-19-52-3/
    h4,6,9,20-21,26-27H,1,5,7
    -8,10-19,22-24H2,2-3H3,(H
    ,44,47);
    VEXDXXFHISGELS-UHFFFAOYSA-N    		 Cc1ccc2c(c1c3c(cc4c(c3OCC(F)(F)F)nc(nc4N
    5CCC6(CC5)CN(C6)C(=O)C=C)OC7CCN(CC7)CCCO
    C)C8CC8)c[nH]n2; COCCCN1CCC(CC1)Oc2nc(N3
    CCC4(CC3)CN(C4)C(=O)C=C)c5cc(C6CC6)c(c(O
    CC(F)(F)F)c5n2)c7c(C)ccc8n[nH]cc78    		 ASP2453;
    1-[7-[6-cyclopropyl-2-[1-(3-methoxypropyl)piperidin-4-yl]oxy-7-(5-methyl-2~{H}-indazol-4-yl)-8-[2,2,2-tris(fluoranyl)ethoxy]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
    17728 A1L9F
    CHEMBL4214687    		 0 C20 H11 N O2 InChI=1S/C20H11NO2/c22-17
    -10-11-18(23)21(17)16-9-7
    -14-5-4-12-2-1-3-13-6-8-1
    5(16)20(14)19(12)13/h1-11
    H;
    YXKWRQLPBHVBRP-UHFFFAOYSA-N    		 c1cc2ccc3ccc(c4c3c2c(c1)cc4)N5C(=O)C=CC5
    =O; O=C1C=CC(=O)N1c2ccc3ccc4cccc5ccc2c3c
    45    		 N-(1-pyrenyl)maleimide;
    1-pyren-1-ylpyrrole-2,5-dione
    17729 A1L9G 2 C20 H28 N10 O20 P4 InChI=1S/C20H28N10O20P4/c
    21-14-8-15(24-3-23-14)29(
    4-25-8)18-12(33)10(31)6(4
    6-18)1-44-51(36,37)48-53(
    40,41)50-54(42,43)49-52(3
    8,39)45-2-7-11(32)13(34)1
    9(47-7)30-5-26-9-16(30)27
    -20(22)28-17(9)35/h3-7,10
    -13,18-19,31-34H,1-2H2,(H
    ,36,37)(H,38,39)(H,40,41)
    (H,42,43)(H2,21,23,24)(H3
    ,22,27,28,35)/t6-,7?,10-,
    11?,12-,13?,18-,19?/m1/s1;
    SJXJAXXRDJWRCR-ZAABGZRTSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n
    5cnc6c5N=C(NC6=O)N)O)O)O)O)N; NC1=Nc2n(c
    nc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O
    [P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H
    ](O)[C@@H]4O)n5cnc6c(N)ncnc56)C(O)C3O; c
    1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@
    H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)
    (O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)
    O)O)N; NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O
    )(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC
    [CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc5
    6)C(O)C3O    		 P1-(5'-Adenosyl) P4-(5'-guanosyl) tetraphosphate
    17730 A1L9H
    CHEMBL783
    DB00731    		 2 C19 H27 N O3 InChI=1S/C19H27NO3/c1-13(
    2)15-8-10-16(11-9-15)18(2
    1)20-17(19(22)23)12-14-6-
    4-3-5-7-14/h3-7,13,15-17H
    ,8-12H2,1-2H3,(H,20,21)(H
    ,22,23)/t15-,16+,17-/m0/s
    1;
    OELFLUMRDSZNSF-BBWFWOEESA-N    		 CC(C)[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc
    2)C(O)=O; CC(C)C1CCC(CC1)C(=O)N[C@H](Cc2
    ccccc2)C(=O)O; CC(C)[C@H]1CC[C@@H](CC1)C
    (=O)N[C@H](Cc2ccccc2)C(O)=O; CC(C)C1CCC(
    CC1)C(=O)NC(Cc2ccccc2)C(=O)O    		 (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid;
    nateglinide
    17731 A1L9Q 0 C10 H16 N3 O7 P S InChI=1S/C10H16N3O7PS/c1-
    18-8-7(14)5(4-19-21(15,16
    )17)20-9(8)13-3-2-6(11)12
    -10(13)22/h2-3,5,7-9,14H,
    4H2,1H3,(H2,11,12,22)(H2,
    15,16,17)/t5-,7-,8-,9-/m1
    /s1;
    GWFOPAUVJXMOAL-ZOQUXTDFSA-N    		 CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N
    2C=CC(=NC2=S)N; CO[C@@H]1[C@H](O)[C@@H](
    CO[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=S)N; CO
    [C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=S
    )N)COP(=O)(O)O)O; COC1C(C(OC1N2C=CC(=NC2
    =S)N)COP(=O)(O)O)O    		 4-azanyl-1-[(2~{R},3~{R},4~{R},5~{R})-3-methoxy-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]pyrimidine-2-thione
    17732 A1L9X 0 C6 H12 N2 O2 InChI=1S/C6H12N2O2/c7-6(5
    (9)10)1-3-8-4-2-6/h8H,1-4
    ,7H2,(H,9,10);
    KHABBYNLBYZCKP-UHFFFAOYSA-N    		 NC1(CCNCC1)C(O)=O; C1CNCCC1(C(=O)O)N 4-azanylpiperidine-4-carboxylic acid;
    4-Aminopiperidine-4-carboxylic acid
    17733 A1LTQ 0 C21 H32 N8 O15 P2 InChI=1S/C21H32N8O15P2/c2
    2-8(20(33)34)2-1-3-28-19-
    15(43-21(28)24)13(31)10(4
    2-19)5-40-46(37,38)44-45(
    35,36)39-4-9-12(30)14(32)
    18(41-9)29-7-27-11-16(23)
    25-6-26-17(11)29/h6-10,12
    -15,18-19,24,30-32H,1-5,2
    2H2,(H,33,34)(H,35,36)(H,
    37,38)(H2,23,25,26)/b24-2
    1+/t8-,9+,10+,12+,13+,14+
    ,15+,18+,19-/m0/s1;
    FAXYOCQOJNLOLJ-QFBBLTADSA-N    		 N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O
    )(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(
    N)ncnc45)[CH](O)[CH]2OC1=N)C(O)=O; N[C@@
    H](CCCN1[C@H]2O[C@H](CO[P](O)(=O)O[P](O)
    (=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cn
    c5c(N)ncnc45)[C@@H](O)[C@H]2OC1=N)C(O)=O
    ; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O
    )OP(=O)(O)OCC4C(C5C(O4)N(C(=N)O5)CCCC(C(
    =O)O)N)O)O)O)N; [H]/N=C/1\N(C2C(O1)C(C(O
    2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5
    c4ncnc5N)O)O)O)CCCC(C(=O)O)N    		 ADP-RIBOXANATED ARGININE;
    5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid
    17734 A1LU0 1 C13 H8 N2 O3 S InChI=1S/C13H8N2O3S/c1-2-
    8-4-3-5-9(6-8)14-13-15-12
    (18)10(19-13)7-11(16)17/h
    1,3-7H,(H,16,17)(H,14,15,
    18);
    GQXBNBYNTFWKFU-UHFFFAOYSA-N    		 C#Cc1cccc(c1)/N=C\2/NC(=O)C(=CC(=O)O)S2;
    OC(=O)C=C1SC(NC1=O)=Nc2cccc(c2)C#C; C#C
    c1cccc(c1)N=C2NC(=O)C(=CC(=O)O)S2; OC(=O
    )\C=C1/SC(NC1=O)=Nc2cccc(c2)C#C    		 2-[(2~{Z})-2-(3-ethynylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]ethanoic acid
    17735 A1LU1
    DB13710    		 1 C20 H30 O2 InChI=1S/C20H30O2/c1-12-1
    0-14(21)11-13-4-5-15-16-6
    -7-18(22)19(16,2)9-8-17(1
    5)20(12,13)3/h10,13,15-18
    ,22H,4-9,11H2,1-3H3/t13-,
    15-,16-,17-,18-,19-,20-/m
    0/s1;
    ANJQEDFWRSLVBR-VHUDCFPWSA-N    		 CC1=CC(=O)C[CH]2CC[CH]3[CH]4CC[CH](O)[C]
    4(C)CC[CH]3[C]12C; CC1=CC(=O)CC2C1(C3CCC
    4(C(C3CC2)CCC4O)C)C; CC1=CC(=O)C[C@H]2[C
    @]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@
    @H]4O)C)C; CC1=CC(=O)C[C@@H]2CC[C@H]3[C@
    @H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C    		 Metenolone;
    DB13710
    17736 A1LU2
    CHEMBL3359303    		 4 C15 H17 N O3 InChI=1S/C15H17NO3/c17-13
    -4-1-11(2-5-13)7-8-16-10-
    12-3-6-14(18)15(19)9-12/h
    1-6,9,16-19H,7-8,10H2;
    YJYUDTAJVLORNV-UHFFFAOYSA-N    		 Oc1ccc(CCNCc2ccc(O)c(O)c2)cc1; c1cc(ccc1
    CCNCc2ccc(c(c2)O)O)O    		 Norbelladine
    17737 A1LU4 4 C27 H40 N8 O7 InChI=1S/C27H40N8O7/c1-15
    (2)22-25(41)33-17(10-7-11
    -30-27(28)29)23(39)31-14-
    20(36)32-18(13-21(37)38)2
    4(40)34-19(26(42)35(22)3)
    12-16-8-5-4-6-9-16/h4-6,8
    -9,15,17-19,22H,7,10-14H2
    ,1-3H3,(H,31,39)(H,32,36)
    (H,33,41)(H,34,40)(H,37,3
    8)(H4,28,29,30)/t17-,18+,
    19+,22-/m0/s1;
    AMLYAMJWYAIXIA-JYLXEMOASA-N    		 CC(C)[CH]1N(C)C(=O)[CH](Cc2ccccc2)NC(=O)
    [CH](CC(O)=O)NC(=O)CNC(=O)[CH](CCCNC(N)=
    N)NC1=O; [H]/N=C(/N)\NCCC[C@H]1C(=O)NCC(
    =O)N[C@@H](C(=O)N[C@@H](C(=O)N([C@H](C(=
    O)N1)C(C)C)C)Cc2ccccc2)CC(=O)O; CC(C)C1C
    (=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)C
    c2ccccc2)CC(=O)O)CCCNC(=N)N; CC(C)[C@@H]
    1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](
    CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC
    1=O    		 2-[(2~{R},5~{R},8~{S},11~{S})-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid
    17738 A1LU6
    CHEMBL4764756    		 1 C19 H15 Cl N4 O InChI=1S/C19H15ClN4O/c20-
    15-3-1-2-12(8-15)10-24-11
    -14(5-7-18(24)25)13-4-6-1
    6-17(9-13)22-23-19(16)21/
    h1-9,11H,10H2,(H3,21,22,2
    3);
    YQVUADHJKWJHAF-UHFFFAOYSA-N    		 Nc1n[nH]c2cc(ccc12)C3=CN(Cc4cccc(Cl)c4)C
    (=O)C=C3; c1cc(cc(c1)Cl)CN2C=C(C=CC2=O)c
    3ccc4c(c3)[nH]nc4N    		 5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one
    17739 A1LU7 4 C27 H41 N9 O7 InChI=1S/C27H41N9O7/c28-1
    1-5-4-9-18-24(41)34-17(10
    -6-12-31-27(29)30)23(40)3
    2-15-21(37)33-20(14-22(38
    )39)26(43)36-19(25(42)35-
    18)13-16-7-2-1-3-8-16/h1-
    3,7-8,17-20H,4-6,9-15,28H
    2,(H,32,40)(H,33,37)(H,34
    ,41)(H,35,42)(H,36,43)(H,
    38,39)(H4,29,30,31)/t17-,
    18-,19+,20+/m0/s1;
    NVHPXYIRNJFKTE-VNTMZGSJSA-N    		 NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O
    )[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC
    (N)=N)NC1=O; c1ccc(cc1)CC2C(=O)NC(C(=O)N
    C(C(=O)NCC(=O)NC(C(=O)N2)CC(=O)O)CCCNC(=
    N)N)CCCCN; [H]/N=C(/N)\NCCC[C@H]1C(=O)NC
    C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(
    =O)N1)CCCCN)Cc2ccccc2)CC(=O)O; NCCCC[CH]
    1NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](CC(O)=O
    )NC(=O)CNC(=O)[CH](CCCNC(N)=N)NC1=O    		 2-[(2~{R},5~{R},8~{S},11~{S})-8-(4-azanylbutyl)-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid
    17740 A1LU8
    CHEMBL3604794    		 10 C21 H18 F2 N2 O2 InChI=1S/C21H18F2N2O2/c22
    -19-11-15(12-20(23)21(19)
    26)18-13-24-6-5-17(18)14-
    1-3-16(4-2-14)25-7-9-27-1
    0-8-25/h1-6,11-13,26H,7-1
    0H2;
    YUYJEQHNWKQNBT-UHFFFAOYSA-N    		 Oc1c(F)cc(cc1F)c2cnccc2c3ccc(cc3)N4CCOCC
    4; c1cc(ccc1c2ccncc2c3cc(c(c(c3)F)O)F)N4
    CCOCC4    		 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol
    17741 A1LU9
    CHEMBL5077469    		 12 C15 H14 N2 O4 InChI=1S/C15H14N2O4/c1-9(
    18)13-7-8-14(21-13)15(20)
    17-12-5-3-11(4-6-12)16-10
    (2)19/h3-8H,1-2H3,(H,16,1
    9)(H,17,20);
    VLEXAUHLNJBZLL-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(NC(=O)c2oc(cc2)C(C)=O)cc1;
    CC(=O)c1ccc(o1)C(=O)Nc2ccc(cc2)NC(=O)C    		 N-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide
    17742 A1LUD
    CHEMBL45024    		 1 C6 H14 N O2 S InChI=1S/C6H13NO2S/c1-10(
    2)4-3-5(7)6(8)9/h5H,3-4,7
    H2,1-2H3/p+1/t5-/m0/s1;
    YDBYJHTYSHBBAU-YFKPBYRVSA-O    		 C[S+](C)CC[CH](N)C(O)=O; C[S+](C)CCC(C(=
    O)O)N; C[S+](C)CC[C@H](N)C(O)=O    		 S-METHYL-METHIONINE;
    (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium
    17743 A1LUT 0 C4 H8 N2 O4 InChI=1S/C4H8N2O4/c5-1(4(
    9)10)2(7)3(6)8/h1-2,7H,5H
    2,(H2,6,8)(H,9,10)/t1-,2+
    /m0/s1;
    VQTLPSCRBFYDNX-NHYDCYSISA-N    		 N[C@@H]([C@@H](O)C(N)=O)C(O)=O; C(C(C(=O
    )N)O)(C(=O)O)N; N[CH]([CH](O)C(N)=O)C(O)
    =O    		 (3R)-3-HYDROXY-ASPARAGINE;
    2,4-bis(azanyl)-3-oxidanyl-4-oxidanylidene-butanoic acid
    17744 A1LUV 0 C6 H15 N2 O3 InChI=1S/C6H14N2O3/c7-3-4
    (9)1-2-5(8)6(10)11/h4-5,9
    H,1-3,7-8H2,(H,10,11)/p+1
    /t4-,5-/m0/s1;
    YSMODUONRAFBET-WHFBIAKZSA-O    		 N[CH](CC[CH](O)C[NH3+])C(O)=O; C(CC(C(=O
    )O)N)C(C[NH3+])O; N[C@@H](CC[C@H](O)C[NH
    3+])C(O)=O    		 (5S)-5-HYDROXY-LYSINE;
    [5-azanyl-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]azanium
    17745 A1LUZ
    CHEMBL589186    		 4 C5 H3 N O4 S InChI=1S/C5H3NO4S/c7-3(8)
    1-2-4(9)6-5(10)11-2/h1H,(
    H,7,8)(H,6,9,10);
    GZMAUGAAAMRIDY-UHFFFAOYSA-N    		 OC(=O)\C=C\1SC(=O)NC\1=O; C(=C1C(=O)NC(=
    O)S1)C(=O)O; OC(=O)C=C1SC(=O)NC1=O    		 2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid
    17746 A1LV1 4 C22 H16 Cl F3 N10 O2 InChI=1S/C22H16ClF3N10O2/
    c1-11-6-12(9-27)7-14(19(3
    7)28-2)17(11)30-20(38)16-
    8-13(10-35-33-21(31-34-35
    )22(24,25)26)32-36(16)18-
    15(23)4-3-5-29-18/h3-8H,1
    0H2,1-2H3,(H,28,37)(H,30,
    38);
    KNDVJPKNBVIKML-UHFFFAOYSA-N    		 CNC(=O)c1cc(cc(C)c1NC(=O)c2cc(Cn3nnc(n3)
    C(F)(F)F)nn2c4ncccc4Cl)C#N; Cc1cc(cc(c1N
    C(=O)c2cc(nn2c3c(cccn3)Cl)Cn4nc(nn4)C(F)
    (F)F)C(=O)NC)C#N    		 tetraniliprole;
    2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
    17747 A1LV3
    CHEMBL5562590    		 2 C38 H40 Cl F N4 O8 InChI=1S/C38H40ClFN4O8/c3
    9-31-18-27(20-41-34(21-45
    )38(47)48)35(50-22-24-8-9
    -32-33(16-24)43-52-42-32)
    19-36(31)51-23-26-5-2-7-3
    0(37(26)40)25-4-1-6-29(17
    -25)49-15-3-12-44-13-10-2
    8(46)11-14-44/h1-2,4-9,16
    -19,28,34,41,45-46H,3,10-
    15,20-23H2,(H,47,48)/t34-
    /m1/s1;
    CVHGLSHXHMFDJX-UUWRZZSWSA-N    		 c1cc(cc(c1)OCCCN2CCC(CC2)O)c3cccc(c3F)CO
    c4cc(c(cc4Cl)CN[C@H](CO)C(=O)O)OCc5ccc6c
    (c5)non6; OC[CH](NCc1cc(Cl)c(OCc2cccc(c2
    F)c3cccc(OCCCN4CCC(O)CC4)c3)cc1OCc5ccc6n
    onc6c5)C(O)=O; OC[C@@H](NCc1cc(Cl)c(OCc2
    cccc(c2F)c3cccc(OCCCN4CCC(O)CC4)c3)cc1OC
    c5ccc6nonc6c5)C(O)=O; c1cc(cc(c1)OCCCN2C
    CC(CC2)O)c3cccc(c3F)COc4cc(c(cc4Cl)CNC(C
    O)C(=O)O)OCc5ccc6c(c5)non6    		 (2~{R})-2-[[2-(2,1,3-benzoxadiazol-5-ylmethoxy)-5-chloranyl-4-[[2-fluoranyl-3-[3-[3-(4-oxidanylpiperidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]methylamino]-3-oxidanyl-propanoic acid
    17748 A1LV4 4 C27 H31 N7 O3 InChI=1S/C27H31N7O3/c1-16
    -18(11-33-14-23(35)24(15-
    33)37-3)12-34(31-16)25-8-
    9-28-27(30-25)29-19-6-7-2
    2-20(10-19)21(13-32(22)2)
    26(36)17-4-5-17/h6-10,12-
    13,17,23-24,35H,4-5,11,14
    -15H2,1-3H3,(H,28,29,30)/
    t23-,24-/m0/s1;
    CBNDBWHBUUWRCT-ZEQRLZLVSA-N    		 Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4C)
    C(=O)C5CC5)CN6C[C@@H]([C@H](C6)OC)O; CO[
    C@H]1CN(C[C@@H]1O)Cc2cn(nc2C)c3ccnc(Nc4c
    cc5n(C)cc(C(=O)C6CC6)c5c4)n3; CO[CH]1CN(
    C[CH]1O)Cc2cn(nc2C)c3ccnc(Nc4ccc5n(C)cc(
    C(=O)C6CC6)c5c4)n3; Cc1c(cn(n1)c2ccnc(n2
    )Nc3ccc4c(c3)c(cn4C)C(=O)C5CC5)CN6CC(C(C
    6)OC)O    		 cyclopropyl-[5-[[4-[4-[[(3~{S},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methyl-indol-3-yl]methanone
    17749 A1LV5
    CHEMBL5542607    		 2 C20 H26 Cl2 N10 InChI=1S/C20H26Cl2N10/c21
    -13-3-7-15(8-4-13)29-19(2
    5)31-17(23)27-11-1-2-12-2
    8-18(24)32-20(26)30-16-9-
    5-14(22)6-10-16/h3-10H,1-
    2,11-12H2,(H5,23,25,27,29
    ,31)(H5,24,26,28,30,32);
    LOQFOZRLPPGNQV-UHFFFAOYSA-N    		 c1cc(ccc1NC(=N)NC(=N)NCCCCNC(=N)NC(=N)Nc
    2ccc(cc2)Cl)Cl; [H]/N=C(\N/C(=N/[H])/Nc1
    ccc(cc1)Cl)/NCCCCN/C(=N/[H])/N/C(=N/[H])
    /Nc2ccc(cc2)Cl; Clc1ccc(NC(=N)NC(=N)NCCC
    CNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1    		 1-(4-chlorophenyl)-3-[~{N}-[4-[[~{N}-[~{N}-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]butyl]carbamimidoyl]guanidine
    17750 A1LV6 2 C26 H30 N8 O3 InChI=1S/C26H30N8O3/c1-15
    -17(10-33-13-21(35)22(14-
    33)37-3)11-34(31-15)23-6-
    7-27-26(30-23)29-18-8-19-
    20(24(36)16-4-5-16)12-32(
    2)25(19)28-9-18/h6-9,11-1
    2,16,21-22,35H,4-5,10,13-
    14H2,1-3H3,(H,27,29,30)/t
    21-,22+/m0/s1;
    XJLACMXDBBMNAD-FCHUYYIVSA-N    		 Cc1c(cn(n1)c2ccnc(n2)Nc3cc4c(cn(c4nc3)C)
    C(=O)C5CC5)CN6C[C@@H]([C@@H](C6)OC)O; Cc
    1c(cn(n1)c2ccnc(n2)Nc3cc4c(cn(c4nc3)C)C(
    =O)C5CC5)CN6CC(C(C6)OC)O; CO[CH]1CN(C[CH
    ]1O)Cc2cn(nc2C)c3ccnc(Nc4cnc5n(C)cc(C(=O
    )C6CC6)c5c4)n3; CO[C@@H]1CN(C[C@@H]1O)Cc
    2cn(nc2C)c3ccnc(Nc4cnc5n(C)cc(C(=O)C6CC6
    )c5c4)n3    		 cyclopropyl-[5-[[4-[4-[[(3~{R},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methanone
    17751 A1LV7 2 C28 H32 F N7 O3 InChI=1S/C28H32FN7O3/c1-1
    7-19(12-34-15-24(37)25(16
    -34)39-2)13-36(33-17)26-7
    -9-30-28(32-26)31-20-5-6-
    23-21(11-20)22(14-35(23)1
    0-8-29)27(38)18-3-4-18/h5
    -7,9,11,13-14,18,24-25,37
    H,3-4,8,10,12,15-16H2,1-2
    H3,(H,30,31,32)/t24-,25+/
    m0/s1;
    BOEORZOOBBGDDF-LOSJGSFVSA-N    		 CO[C@@H]1CN(C[C@@H]1O)Cc2cn(nc2C)c3ccnc(
    Nc4ccc5n(CCF)cc(C(=O)C6CC6)c5c4)n3; Cc1c
    (cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4CCF)C(
    =O)C5CC5)CN6CC(C(C6)OC)O; Cc1c(cn(n1)c2c
    cnc(n2)Nc3ccc4c(c3)c(cn4CCF)C(=O)C5CC5)C
    N6C[C@@H]([C@@H](C6)OC)O; CO[CH]1CN(C[CH
    ]1O)Cc2cn(nc2C)c3ccnc(Nc4ccc5n(CCF)cc(C(
    =O)C6CC6)c5c4)n3    		 cyclopropyl-[1-(2-fluoranylethyl)-5-[[4-[4-[[(3~{R},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone
    17752 A1LV8 1 C24 H25 N5 O InChI=1S/C24H25N5O/c1-3-1
    7-5-8-23-27-24(17)21(4-1)
    28-12-9-18(10-13-28)25-11
    -2-14-30-19-6-7-20-22(15-
    19)29(23)16-26-20/h1,3-8,
    15-16,18,25H,2,9-14H2;
    NUEIFXSLMFVCPQ-UHFFFAOYSA-N    		 c1cc2ccc-3nc2c(c1)N4CCC(CC4)NCCCOc5ccc6c
    (c5)n3cn6; C1CNC2CCN(CC2)c3cccc4ccc(nc34
    )n5cnc6ccc(OC1)cc56    		 RH140
    17753 A1LV9 1 C16 H17 Cl O5 S InChI=1S/C16H17ClO5S/c1-2
    3(21,22)10-4-5-11(12(17)7
    -10)16(20)13-14(18)8-2-3-
    9(6-8)15(13)19/h4-5,7-9,1
    3-14,18H,2-3,6H2,1H3/t8-,
    9+,13+,14-/m0/s1;
    JOLMHOKSTKCQDK-DZLLMUEISA-N    		 CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(C3CCC(C
    3)C2=O)O; C[S](=O)(=O)c1ccc(c(Cl)c1)C(=O
    )[CH]2[CH](O)[CH]3CC[CH](C3)C2=O; C[S](=
    O)(=O)c1ccc(c(Cl)c1)C(=O)[C@@H]2[C@@H](O
    )[C@H]3CC[C@H](C3)C2=O; CS(=O)(=O)c1ccc(
    c(c1)Cl)C(=O)[C@@H]2[C@H]([C@H]3CC[C@H](
    C3)C2=O)O    		 (1~{R},3~{R},4~{S},5~{S})-3-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4-oxidanyl-bicyclo[3.2.1]octan-2-one
    17754 A1LVA 3 C17 H19 Cl N2 O5 S2 InChI=1S/C17H19ClN2O5S2/c
    1-12-4-7-16(25-2)17(10-12
    )27(23,24)19-13-5-6-14(18
    )15(11-13)20-8-3-9-26(20,
    21)22/h4-7,10-11,19H,3,8-
    9H2,1-2H3;
    PNCFQLGARJZZFI-UHFFFAOYSA-N    		 Cc1ccc(c(c1)S(=O)(=O)Nc2ccc(c(c2)N3CCCS3
    (=O)=O)Cl)OC; COc1ccc(C)cc1[S](=O)(=O)Nc
    2ccc(Cl)c(c2)N3CCC[S]3(=O)=O    		 N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide
    17755 A1LVB
    CHEMBL5555245    		 1 C24 H26 Cl F N2 O4 InChI=1S/C24H26ClFN2O4/c1
    -14-5-6-17(11-19(14)32-13
    -24(3,4)12-27)21(15(2)23(
    30)31)28-22(29)20(26)16-7
    -9-18(25)10-8-16/h5-11,15
    ,20-21H,13H2,1-4H3,(H,28,
    29)(H,30,31);
    GXGNPULBKHMWLA-UHFFFAOYSA-N    		 C[C@@H]([C@H](NC(=O)[C@@H](F)c1ccc(Cl)cc
    1)c2ccc(C)c(OCC(C)(C)C#N)c2)C(O)=O; Cc1c
    cc(cc1OCC(C)(C)C#N)C(C(C)C(=O)O)NC(=O)C(
    c2ccc(cc2)Cl)F; C[CH]([CH](NC(=O)[CH](F)
    c1ccc(Cl)cc1)c2ccc(C)c(OCC(C)(C)C#N)c2)C
    (O)=O; Cc1ccc(cc1OCC(C)(C)C#N)[C@H]([C@@
    H](C)C(=O)O)NC(=O)[C@H](c2ccc(cc2)Cl)F    		 (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid
    17756 A1LVC
    CHEMBL5566007    		 1 C27 H29 F N2 O4 InChI=1S/C27H29FN2O4/c1-4
    -34-23-6-5-15-29-22(23)16
    -19-9-13-20(14-10-19)24(2
    8)26(31)30-25(18(3)27(32)
    33)21-11-7-17(2)8-12-21/h
    5-15,18,24-25H,4,16H2,1-3
    H3,(H,30,31)(H,32,33);
    BFXQKBUFKIVUSI-UHFFFAOYSA-N    		 CCOc1cccnc1Cc2ccc(cc2)[C@@H](C(=O)N[C@H]
    (c3ccc(cc3)C)[C@@H](C)C(=O)O)F; CCOc1ccc
    nc1Cc2ccc(cc2)[C@H](F)C(=O)N[C@@H]([C@H]
    (C)C(O)=O)c3ccc(C)cc3; CCOc1cccnc1Cc2ccc
    (cc2)[CH](F)C(=O)N[CH]([CH](C)C(O)=O)c3c
    cc(C)cc3; CCOc1cccnc1Cc2ccc(cc2)C(C(=O)N
    C(c3ccc(cc3)C)C(C)C(=O)O)F    		 (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
    17757 A1LVE 4 C12 H22 N2 O3 InChI=1S/C12H22N2O3/c1-7(
    2)6-9-11(16)14-10(12(17)1
    3-9)8(3)4-5-15/h7-10,15H,
    4-6H2,1-3H3,(H,13,17)(H,1
    4,16);
    PBPDVGRYZDBSCX-UHFFFAOYSA-N    		 CC(C)C[C@@H]1NC(=O)[C@@H](NC1=O)[C@@H](C
    )CCO; CC(C)C[CH]1NC(=O)[CH](NC1=O)[CH](C
    )CCO; CC(C)CC1C(=O)NC(C(=O)N1)C(C)CCO; C
    [C@@H](CCO)[C@H]1C(=O)N[C@H](C(=O)N1)CC(
    C)C    		 (3S,6S)-3-(2-methylpropyl)-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione
    17758 A1LVF
    CHEMBL4297656
    DB13038    		 5 C57 H104 O6 InChI=1S/C57H104O6/c1-4-7
    -10-13-16-19-22-25-28-31-
    34-37-40-43-46-49-55(58)6
    1-52-54(63-57(60)51-48-45
    -42-39-36-33-30-27-24-21-
    18-15-12-9-6-3)53-62-56(5
    9)50-47-44-41-38-35-32-29
    -26-23-20-17-14-11-8-5-2/
    h25-30,54H,4-24,31-53H2,1
    -3H3/b28-25-,29-26-,30-27
    -;
    PHYFQTYBJUILEZ-IUPFWZBJSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COC(=O)CCC
    CCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
    ; CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCC
    CCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC;
    CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCC
    CCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
    CCCC; CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](
    COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC
    C\C=C/CCCCCCCC    		 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate;
    Glyceryl trioleate
    17759 A1LVG 1 C12 H22 N2 O4 InChI=1S/C12H22N2O4/c1-7(
    4-5-15)9-11(17)13-8(10(16
    )14-9)6-12(2,3)18/h7-9,15
    ,18H,4-6H2,1-3H3,(H,13,17
    )(H,14,16)/t7-,8+,9?/m1/s
    1;
    BJPOUTJDLWKJCE-WGTSGOJVSA-N    		 CC(CCO)C1C(=O)NC(C(=O)N1)CC(C)(C)O; C[CH
    ](CCO)[CH]1NC(=O)[CH](CC(C)(C)O)NC1=O; C
    [C@@H](CCO)[C@@H]1NC(=O)[C@H](CC(C)(C)O)
    NC1=O; C[C@@H](CCO)[C@H]1C(=O)N[C@H](C(=
    O)N1)CC(C)(C)O    		 (3~{S},6~{S})-3-(2-methyl-2-oxidanyl-propyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione
    17760 A1LVH 1 C12 H22 N2 O2 InChI=1S/C12H22N2O2/c1-5-
    8(4)10-12(16)13-9(6-7(2)3
    )11(15)14-10/h7-10H,5-6H2
    ,1-4H3,(H,13,16)(H,14,15)
    /t8-,9-,10-/m0/s1;
    CCMDAWLYCNFDFN-GUBZILKMSA-N    		 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N1)CC(C
    )C; CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)
    NC1=O; CC[CH](C)[CH]1NC(=O)[CH](CC(C)C)N
    C1=O; CCC(C)C1C(=O)NC(C(=O)N1)CC(C)C    		 (3~{S},6~{S})-3-[(2~{S})-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione
    17761 A1LVI
    CHEMBL4533578    		 1 C21 H18 N4 O2 InChI=1S/C21H18N4O2/c22-2
    1-18(4-3-11-24-21)19-13-1
    7(25-27-19)12-15-6-8-16(9
    -7-15)14-26-20-5-1-2-10-2
    3-20/h1-11,13H,12,14H2,(H
    2,22,24);
    WSEKTEUGRLFBSE-UHFFFAOYSA-N    		 c1ccnc(c1)OCc2ccc(cc2)Cc3cc(on3)c4cccnc4
    N; Nc1ncccc1c2onc(Cc3ccc(COc4ccccn4)cc3)
    c2    		 3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
    17762 A1LVJ 1 C27 H24 F3 N7 O2 InChI=1S/C27H24F3N7O2/c1-
    15(19-4-3-5-20(23(19)28)2
    5(29)30)33-26-21-14-37(36
    -8-10-39-11-9-36)27(38)22
    (24(21)34-16(2)35-26)17-6
    -7-18(12-31)32-13-17/h3-7
    ,13-15,25H,8-11H2,1-2H3,(
    H,33,34,35)/t15-/m1/s1;
    HRMKBFIINYRRDO-OAHLLOKOSA-N    		 CC1=NC2=C(C(=O)N(C=C2C(=N1)NC(C)c3cccc(c
    3F)C(F)F)N4CCOCC4)c5ccc(nc5)C#N; CC1=NC2
    =C(C(=O)N(C=C2C(=N1)N[C@H](C)c3cccc(c3F)
    C(F)F)N4CCOCC4)c5ccc(nc5)C#N; C[C@@H](NC
    1=NC(=NC2=C(C(=O)N(C=C12)N3CCOCC3)c4ccc(
    nc4)C#N)C)c5cccc(C(F)F)c5F; C[CH](NC1=NC
    (=NC2=C(C(=O)N(C=C12)N3CCOCC3)c4ccc(nc4)
    C#N)C)c5cccc(C(F)F)c5F    		 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile
    17763 A1LVL 8 C19 H15 Cl N4 O InChI=1S/C19H15ClN4O/c1-2
    3-10-22-17-18(23)13-7-6-1
    2(20)9-15(13)24(19(17)25)
    14-3-2-8-21-16(14)11-4-5-
    11/h2-3,6-11H,4-5H2,1H3;
    FELOKFNJXFDCKP-UHFFFAOYSA-N    		 Cn1cnc2C(=O)N(c3cccnc3C4CC4)c5cc(Cl)ccc5
    c12; Cn1cnc2c1-c3ccc(cc3N(C2=O)c4cccnc4C
    5CC5)Cl    		 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-1-methyl-imidazo[4,5-c]quinolin-4-one
    17764 A1LVO 1 C26 H23 F3 N2 O5 InChI=1S/C26H23F3N2O5/c1-
    14-17(24(35)23-19(32)4-3-
    5-20(23)33)10-11-18-22(14
    )25(36)31(13-21(34)30(18)
    2)12-15-6-8-16(9-7-15)26(
    27,28)29/h6-11,32H,3-5,12
    -13H2,1-2H3;
    PJRNCTHLDJFKRG-UHFFFAOYSA-N    		 CN1C(=O)CN(Cc2ccc(cc2)C(F)(F)F)C(=O)c3c(
    C)c(ccc13)C(=O)C4=C(O)CCCC4=O; Cc1c(ccc2
    c1C(=O)N(CC(=O)N2C)Cc3ccc(cc3)C(F)(F)F)C
    (=O)C4=C(CCCC4=O)O    		 1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3~{H}-1,4-benzodiazepine-2,5-dione
    17765 A1LVP 1 C21 H22 N2 O5 InChI=1S/C21H22N2O5/c1-4-
    10-23-11-17(26)22(3)14-9-
    8-13(12(2)18(14)21(23)28)
    20(27)19-15(24)6-5-7-16(1
    9)25/h4,8-9,24H,1,5-7,10-
    11H2,2-3H3;
    NIWCIBOQMVCWFM-UHFFFAOYSA-N    		 Cc1c(ccc2c1C(=O)N(CC(=O)N2C)CC=C)C(=O)C3
    =C(CCCC3=O)O; CN1C(=O)CN(CC=C)C(=O)c2c(C
    )c(ccc12)C(=O)C3=C(O)CCCC3=O    		 1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-prop-2-enyl-3~{H}-1,4-benzodiazepine-2,5-dione
    17766 A1LVQ
    CHEMBL5558986    		 3 C34 H33 N7 O5 InChI=1S/C34H33N7O5/c1-5-
    30(42)36-24-13-11-22(12-1
    4-24)15-16-40-32-23(21-41
    (34(40)44)25-17-26(45-3)1
    9-27(18-25)46-4)20-35-33(
    39-32)38-29-10-8-7-9-28(2
    9)37-31(43)6-2/h5-14,17-2
    0H,1-2,15-16,21H2,3-4H3,(
    H,36,42)(H,37,43)(H,35,38
    ,39);
    NOZQNRBLSPCZJQ-UHFFFAOYSA-N    		 COc1cc(OC)cc(c1)N2Cc3cnc(Nc4ccccc4NC(=O)
    C=C)nc3N(CCc5ccc(NC(=O)C=C)cc5)C2=O; COc
    1cc(cc(c1)OC)N2Cc3cnc(nc3N(C2=O)CCc4ccc(
    cc4)NC(=O)C=C)Nc5ccccc5NC(=O)C=C    		 CXF007;
    ~{N}-[4-[2-[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-7-[[2-(prop-2-enoylamino)phenyl]amino]-4~{H}-pyrimido[4,5-d]pyrimidin-1-yl]ethyl]phenyl]propanamide
    17767 A1LVR
    CHEMBL1689654    		 16 C18 H8 Cl2 F4 N4 O InChI=1S/C18H8Cl2F4N4O/c1
    9-15-9(6-10(21)16(20)26-1
    5)11-7-12(29)28-17(25-11)
    13(8-4-2-1-3-5-8)14(27-28
    )18(22,23)24/h1-7,25H;
    JEXACLGXUUYXDX-UHFFFAOYSA-N    		 Fc1cc(c(Cl)nc1Cl)C2=CC(=O)n3nc(c(c3N2)c4
    ccccc4)C(F)(F)F; c1ccc(cc1)c2c(nn3c2NC(=
    CC3=O)c4cc(c(nc4Cl)Cl)F)C(F)(F)F    		 QO-58;
    5-[2,6-bis(chloranyl)-5-fluoranyl-pyridin-3-yl]-3-phenyl-2-(trifluoromethyl)-4~{H}-pyrazolo[1,5-a]pyrimidin-7-one
    17768 A1LVT
    CHEMBL5505932    		 2 C26 H25 F3 N6 O2 InChI=1S/C26H25F3N6O2/c1-
    34-8-7-15-10-22(37-2)21(9
    -17(15)13-34)32-25-31-12-
    18-20(30)11-23(36)35(24(1
    8)33-25)14-16-5-3-4-6-19(
    16)26(27,28)29/h3-6,9-12H
    ,7-8,13-14,30H2,1-2H3,(H,
    31,32,33);
    LQUUWQNDKXYUCK-UHFFFAOYSA-N    		 COc1cc2CCN(C)Cc2cc1Nc3ncc4C(=CC(=O)N(Cc5
    ccccc5C(F)(F)F)c4n3)N; CN1CCc2cc(c(cc2C1
    )Nc3ncc4c(n3)N(C(=O)C=C4N)Cc5ccccc5C(F)(
    F)F)OC    		 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one
    17769 A1LVV 0 C48 H66 O22 InChI=1S/C48H66O22/c1-18-
    13-23-30(34(52)32-31(35(2
    3)58-10)25(14-24(50)33(32
    )51)65-26-16-44(7,55)39(2
    0(3)62-26)64-22(5)49)36-2
    9(18)37-41-47(60-12,68-36
    )46(9,57)48(69-37,70-41)4
    2(59-11)67-28-17-45(8,56)
    40(21(4)63-28)66-27-15-43
    (6,54)38(53)19(2)61-27/h1
    3,19-21,24-28,37-42,50,52
    -57H,14-17H2,1-12H3/t19-,
    20-,21-,24-,25-,26-,27-,2
    8-,37-,38+,39+,40+,41-,42
    +,43+,44+,45+,46-,47+,48-
    /m0/s1;
    RGKSARUQAAZAFR-MNPLPZHASA-N    		 CO[C@H](O[C@H]1C[C@@](C)(O)[C@H](O[C@H]2
    C[C@@](C)(O)[C@H](O)[C@H](C)O2)[C@H](C)O
    1)[C@]34O[C@@H]5[C@H](O3)[C@@](OC)(Oc6c5
    c(C)cc7c(OC)c8[C@H](C[C@H](O)C(=O)c8c(O)
    c67)O[C@H]9C[C@@](C)(O)[C@H](OC(C)=O)[C@
    H](C)O9)[C@]4(C)O; Cc1cc2c(c(c3c(c2OC)C(
    CC(C3=O)O)OC4CC(C(C(O4)C)OC(=O)C)(C)O)O)
    c5c1C6C7C(O5)(C(C(O6)(O7)C(OC)OC8CC(C(C(
    O8)C)OC9CC(C(C(O9)C)O)(C)O)(C)O)(C)O)OC;
    Cc1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O
    )O[C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O)
    C)(C)O)O)c5c1[C@H]6[C@H]7[C@@](O5)([C@](
    [C@@](O6)(O7)[C@H](OC)O[C@H]8C[C@@]([C@@
    H]([C@@H](O8)C)O[C@H]9C[C@@]([C@@H]([C@@
    H](O9)C)O)(C)O)(C)O)(C)O)OC; CO[CH](O[CH
    ]1C[C](C)(O)[CH](O[CH]2C[C](C)(O)[CH](O)
    [CH](C)O2)[CH](C)O1)[C]34O[CH]5[CH](O3)[
    C](OC)(Oc6c5c(C)cc7c(OC)c8[CH](C[CH](O)C
    (=O)c8c(O)c67)O[CH]9C[C](C)(O)[CH](OC(C)
    =O)[CH](C)O9)[C]4(C)O    		 LL-D49194alpha1
    17770 A1LVW
    CHEMBL4282488    		 1 C23 H23 Cl2 N5 InChI=1S/C23H23Cl2N5/c1-3
    0(12-10-28-20-6-8-26-22-1
    4-16(24)2-4-18(20)22)13-1
    1-29-21-7-9-27-23-15-17(2
    5)3-5-19(21)23/h2-9,14-15
    H,10-13H2,1H3,(H,26,28)(H
    ,27,29);
    WDGQVCRQXSYPCW-UHFFFAOYSA-N    		 CN(CCNc1ccnc2cc(Cl)ccc12)CCNc3ccnc4cc(Cl
    )ccc34; CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc3cc
    nc4c3ccc(c4)Cl    		 Lys01;
    ~{N}-(7-chloranylquinolin-4-yl)-~{N}'-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]-~{N}'-methyl-ethane-1,2-diamine
    17771 A1LVX
    CHEMBL563789    		 4 C23 H22 F7 I N2 O4 S InChI=1S/C23H22F7IN2O4S/c
    1-12-10-13(21(24,22(25,26
    )27)23(28,29)30)8-9-16(12
    )32-18(34)14-6-5-7-15(31)
    17(14)19(35)33-20(2,3)11-
    38(4,36)37/h5-10H,11H2,1-
    4H3,(H,32,34)(H,33,35);
    ZGNITFSDLCMLGI-UHFFFAOYSA-N    		 Cc1cc(ccc1NC(=O)c2cccc(c2C(=O)NC(C)(C)CS
    (=O)(=O)C)I)C(C(F)(F)F)(C(F)(F)F)F; Cc1c
    c(ccc1NC(=O)c2cccc(I)c2C(=O)NC(C)(C)C[S]
    (C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F    		 Flubendiamide;
    N1-[4-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]-3-iodanyl-N2-(2-methyl-1-methylsulfonyl-propan-2-yl)benzene-1,2-dicarboxamide
    17772 A1LVZ 2 C12 H16 F I N3 O12 P3 InChI=1S/C12H16FIN3O12P3/
    c1-5-8-6(14)2-17(11(8)16-
    4-15-5)12-9(13)10(18)7(27
    -12)3-26-31(22,23)29-32(2
    4,25)28-30(19,20)21/h2,4,
    7,9-10,12,18H,3H2,1H3,(H,
    22,23)(H,24,25)(H2,19,20,
    21)/t7-,9+,10-,12-/m1/s1;
    SDPCZQPAUGWGIT-DLYFRVTGSA-N    		 Cc1c2c(cn(c2ncn1)[C@H]3[C@H]([C@@H]([C@H
    ](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)I
    ; Cc1ncnc2n(cc(I)c12)[CH]3O[CH](CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3
    F; Cc1ncnc2n(cc(I)c12)[C@@H]3O[C@H](CO[P
    ](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O
    )[C@@H]3F; Cc1c2c(cn(c2ncn1)C3C(C(C(O3)C
    OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)I    		 [[(2~{R},3~{R},4~{S},5~{R})-4-fluoranyl-5-(5-iodanyl-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    17773 A1LW0 19 C7 H14 N4 O3 InChI=1S/C7H14N4O3/c1-8-7
    (10-11(12)13)9-4-6-2-3-14
    -5-6/h6H,2-5H2,1H3,(H2,8,
    9,10)/t6-/m0/s1;
    YKBZOVFACRVRJN-LURJTMIESA-N    		 CN\C(NC[C@@H]1CCOC1)=N/[N+]([O-])=O; CNC
    (=N[N+](=O)[O-])NCC1CCOC1; CN/C(=N\[N+](
    =O)[O-])/NC[C@@H]1CCOC1; CNC(NC[CH]1CCOC
    1)=N[N+]([O-])=O    		 2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine;
    dinotefuran
    17774 A1LW1
    CHEMBL2181467    		 2 C40 H44 N4 O4 InChI=1S/C40H44N4O4/c41-2
    5-13-12-22-35(39(47)42-27
    -34(29-14-4-1-5-15-29)30-
    16-6-2-7-17-30)43-40(48)3
    6-26-32-20-10-11-21-33(32
    )28-44(36)38(46)24-23-37(
    45)31-18-8-3-9-19-31/h1-1
    1,14-21,34-36H,12-13,22-2
    8,41H2,(H,42,47)(H,43,48)
    /t35-,36-/m0/s1;
    LEINOXRFIYQSFV-ZPGRZCPFSA-N    		 NCCCC[CH](NC(=O)[CH]1Cc2ccccc2CN1C(=O)CC
    C(=O)c3ccccc3)C(=O)NCC(c4ccccc4)c5ccccc5
    ; c1ccc(cc1)C(CNC(=O)C(CCCCN)NC(=O)C2Cc3
    ccccc3CN2C(=O)CCC(=O)c4ccccc4)c5ccccc5;
    c1ccc(cc1)C(CNC(=O)[C@H](CCCCN)NC(=O)[C@
    @H]2Cc3ccccc3CN2C(=O)CCC(=O)c4ccccc4)c5c
    cccc5; NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2
    CN1C(=O)CCC(=O)c3ccccc3)C(=O)NCC(c4ccccc
    4)c5ccccc5    		 (3~{S})-~{N}-[(2~{S})-6-azanyl-1-(2,2-diphenylethylamino)-1-oxidanylidene-hexan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide
    17775 A1LW2
    CHEMBL2221034    		 2 C25 H31 I N InChI=1S/C25H31IN/c1-25(2
    )21-14-13-20(23(25)15-21)
    17-27(3,4)16-18-9-11-19(1
    2-10-18)22-7-5-6-8-24(22)
    26/h5-13,21,23H,14-17H2,1
    -4H3/q+1/t21-,23-/m0/s1;
    FKUOVGQOKVAIAV-GMAHTHKFSA-N    		 CC1(C)[CH]2CC=C(C[N+](C)(C)Cc3ccc(cc3)c4
    ccccc4I)[CH]1C2; CC1([C@H]2CC=C([C@@H]1C
    2)C[N+](C)(C)Cc3ccc(cc3)c4ccccc4I)C; CC1
    (C2CC=C(C1C2)C[N+](C)(C)Cc3ccc(cc3)c4ccc
    cc4I)C; CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3c
    cc(cc3)c4ccccc4I)[C@@H]1C2    		 [(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-[[4-(2-iodanylphenyl)phenyl]methyl]-dimethyl-azanium
    17776 A1LW3 2 C14 H16 N4 O4 S InChI=1S/C14H16N4O4S/c1-4
    -18-12-7-9(5-6-11(12)17(3
    )23(18,21)22)13(19)10-8-1
    5-16(2)14(10)20/h5-8,20H,
    4H2,1-3H3;
    RFXPRTZJOLHGIJ-UHFFFAOYSA-N    		 CCN1c2cc(ccc2N(C)[S]1(=O)=O)C(=O)c3cnn(C
    )c3O; CCN1c2cc(ccc2N(S1(=O)=O)C)C(=O)c3c
    nn(c3O)C    		 [3-ethyl-1-methyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
    17777 A1LW4 1 C14 H13 F4 N3 O3 S InChI=1S/C14H13F4N3O3S/c1
    -3-6-25(23)11-9(14(16,17)
    18)5-4-8(10(11)15)12(22)1
    9-13-21-20-7(2)24-13/h4-5
    H,3,6H2,1-2H3,(H,19,21,22
    );
    PWQIRGHRDYHXJS-UHFFFAOYSA-N    		 CCCS(=O)c1c(ccc(c1F)C(=O)Nc2nnc(o2)C)C(F
    )(F)F; CCC[S@@](=O)c1c(F)c(ccc1C(F)(F)F)
    C(=O)Nc2oc(C)nn2; CCC[S](=O)c1c(F)c(ccc1
    C(F)(F)F)C(=O)Nc2oc(C)nn2    		 2-fluoranyl-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-propylsulfinyl-4-(trifluoromethyl)benzamide
    17778 A1LW5 1 C18 H17 Cl N2 O3 InChI=1S/C18H17ClN2O3/c1-
    2-21-8-12(19)13-11(5-6-20
    -18(13)21)17(24)14-15(22)
    9-3-4-10(7-9)16(14)23/h5-
    6,8-10,22H,2-4,7H2,1H3/t9
    -,10+/m1/s1;
    KMKACZIOFPMKQH-ZJUUUORDSA-N    		 CCn1cc(c2c1nccc2C(=O)C3=C([C@@H]4CC[C@@H
    ](C4)C3=O)O)Cl; CCn1cc(Cl)c2c(ccnc12)C(=
    O)C3=C(O)[CH]4CC[CH](C4)C3=O; CCn1cc(c2c
    1nccc2C(=O)C3=C(C4CCC(C4)C3=O)O)Cl; CCn1
    cc(Cl)c2c(ccnc12)C(=O)C3=C(O)[C@@H]4CC[C
    @@H](C4)C3=O    		 (1~{S},5~{R})-3-(3-chloranyl-1-ethyl-pyrrolo[2,3-b]pyridin-4-yl)carbonyl-4-oxidanyl-bicyclo[3.2.1]oct-3-en-2-one
    17779 A1LW6 1 C22 H16 Cl N3 O7 InChI=1S/C22H16ClN3O7/c1-
    24-15-9-13(20(29)19-17(27
    )3-2-4-18(19)28)16(26(32)
    33)10-14(15)21(30)25(22(2
    4)31)12-7-5-11(23)6-8-12/
    h5-10,27H,2-4H2,1H3;
    ZORAUUJNIZHGRH-UHFFFAOYSA-N    		 CN1C(=O)N(C(=O)c2cc(c(cc12)C(=O)C3=C(O)C
    CCC3=O)[N+]([O-])=O)c4ccc(Cl)cc4; CN1c2c
    c(c(cc2C(=O)N(C1=O)c3ccc(cc3)Cl)[N+](=O)
    [O-])C(=O)C4=C(CCCC4=O)O    		 3-(4-chlorophenyl)-1-methyl-6-nitro-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
    17780 A1LW7 1 C18 H14 F3 N3 O7 InChI=1S/C18H14F3N3O7/c1-
    22-10-5-8(15(27)14-12(25)
    3-2-4-13(14)26)11(24(30)3
    1)6-9(10)16(28)23(17(22)2
    9)7-18(19,20)21/h5-6,25H,
    2-4,7H2,1H3;
    ZFGHZLLDLQYOBM-UHFFFAOYSA-N    		 CN1c2cc(c(cc2C(=O)N(C1=O)CC(F)(F)F)[N+](
    =O)[O-])C(=O)C3=C(CCCC3=O)O; CN1C(=O)N(C
    C(F)(F)F)C(=O)c2cc(c(cc12)C(=O)C3=C(O)CC
    CC3=O)[N+]([O-])=O    		 1-methyl-6-nitro-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[2,2,2-tris(fluoranyl)ethyl]quinazoline-2,4-dione
    17781 A1LW8 0 C34 H56 O8 InChI=1S/C34H56O8/c1-18(1
    7-40-31-30(39)29(38)28(37
    )26(16-35)42-31)6-7-24-19
    (2)27-25(41-24)14-23-21-9
    -11-32(3)15-20(36)8-13-34
    (32,5)22(21)10-12-33(23,2
    7)4/h18,20-23,25-31,35-39
    H,6-17H2,1-5H3/t18-,20-,2
    1-,22-,23+,25-,26+,27-,28
    +,29-,30+,31+,32+,33-,34+
    /m0/s1;
    ULNDCEKFZLEEGC-TWIDTKOTSA-N    		 CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@@H]
    ([C@H]3C2)CC[C@]5([C@@]4(CC[C@@H](C5)O)C
    )C)C)CC[C@H](C)CO[C@H]6[C@@H]([C@H]([C@@
    H]([C@H](O6)CO)O)O)O; CC1=C(OC2C1C3(CCC4
    C(C3C2)CCC5(C4(CCC(C5)O)C)C)C)CCC(C)COC6
    C(C(C(C(O6)CO)O)O)O; C[C@@H](CCC1=C(C)[C
    @H]2[C@H](C[C@@H]3[C@H]4CC[C@]5(C)C[C@@H
    ](O)CC[C@]5(C)[C@H]4CC[C@]23C)O1)CO[C@@H
    ]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O; C[
    CH](CCC1=C(C)[CH]2[CH](C[CH]3[CH]4CC[C]5
    (C)C[CH](O)CC[C]5(C)[CH]4CC[C]23C)O1)CO[
    CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O    		 (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{S})-2-methyl-4-[(1~{R},2~{R},4~{S},6~{S},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S},18~{R})-7,9,13,18-tetramethyl-16-oxidanyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-yl]butoxy]oxane-3,4,5-triol
    17782 A1LW9 2 C25 H24 N6 O2 S InChI=1S/C25H24N6O2S/c1-4
    -20(32)29-17-7-5-15(6-8-1
    7)12-31-25-21(24(26)27-13
    -28-25)22(30-31)19-11-16-
    9-14(2)10-18(33-3)23(16)3
    4-19/h5-11,13H,4,12H2,1-3
    H3,(H,29,32)(H2,26,27,28);
    ZOBPPKHZWZENPR-UHFFFAOYSA-N    		 CCC(=O)Nc1ccc(Cn2nc(c3sc4c(OC)cc(C)cc4c3
    )c5c(N)ncnc25)cc1; CCC(=O)Nc1ccc(cc1)Cn2
    c3c(c(n2)c4cc5cc(cc(c5s4)OC)C)c(ncn3)N    		 ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide
    17783 A1LWA 1 C21 H21 Cl2 N O4 InChI=1S/C21H21Cl2NO4/c1-
    3-24-12(2)16(19(26)21(24)
    27)18(25)14-9-10-15(22)20
    (17(14)23)28-11-13-7-5-4-
    6-8-13/h4-10,12,16,19,26H
    ,3,11H2,1-2H3/t12-,16-,19
    -/m1/s1;
    OFNHTQNNTWKNME-SMNXXWJPSA-N    		 CCN1C(C(C(C1=O)O)C(=O)c2ccc(c(c2Cl)OCc3c
    cccc3)Cl)C; CCN1[C@H](C)[C@@H]([C@@H](O)
    C1=O)C(=O)c2ccc(Cl)c(OCc3ccccc3)c2Cl; CC
    N1[CH](C)[CH]([CH](O)C1=O)C(=O)c2ccc(Cl)
    c(OCc3ccccc3)c2Cl; CCN1[C@@H]([C@@H]([C@
    H](C1=O)O)C(=O)c2ccc(c(c2Cl)OCc3ccccc3)C
    l)C    		 (3~{R},4~{S},5~{R})-4-[2,4-bis(chloranyl)-3-phenylmethoxy-phenyl]carbonyl-1-ethyl-5-methyl-3-oxidanyl-pyrrolidin-2-one
    17784 A1LWB
    CHEMBL4535113    		 6 C24 H32 O4 InChI=1S/C24H32O4/c1-15(2
    )8-6-9-16(3)10-7-11-17(4)
    12-13-19-22(25)18(5)20-14
    -28-24(27)21(20)23(19)26/
    h8,10,12,25-26H,6-7,9,11,
    13-14H2,1-5H3;
    HKULYCOWDDIJCV-UHFFFAOYSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)c2COC(
    =O)c2c1O; Cc1c2c(c(c(c1O)CC=C(C)CCC=C(C)
    CCC=C(C)C)O)C(=O)OC2; CC(C)=CCC/C(C)=C/C
    C/C(C)=C/Cc1c(O)c(C)c2COC(=O)c2c1O; Cc1c
    2c(c(c(c1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)
    C)O)C(=O)OC2    		 4-farnesyl-3,5-dihydroxy-6-methylphthalide;
    4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one
    17785 A1LWC 1 C21 H26 O6 InChI=1S/C21H26O6/c1-12(5
    -4-6-13(2)8-10-17(22)23)7
    -9-15-19(24)14(3)16-11-27
    -21(26)18(16)20(15)25/h6-
    7,24-25H,4-5,8-11H2,1-3H3
    ,(H,22,23);
    LFMVGCLSSWANEO-UHFFFAOYSA-N    		 Cc1c2c(c(c(c1O)CC=C(C)CCC=C(C)CCC(=O)O)O
    )C(=O)OC2; CC(CCC=C(C)CCC(O)=O)=CCc1c(O)
    c(C)c2COC(=O)c2c1O; C/C(CC\C=C(/C)CCC(O)
    =O)=C/Cc1c(O)c(C)c2COC(=O)c2c1O; Cc1c2c(
    c(c(c1O)C/C=C(\C)/CC/C=C(\C)/CCC(=O)O)O)
    C(=O)OC2    		 4-farnesyl-3,5-dihydroxy-6-methylphthalide-3C;
    (4~{E},8~{E})-4,8-dimethyl-10-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]deca-4,8-dienoic acid
    17786 A1LWD
    CHEMBL132727    		 6 C16 H18 O6 InChI=1S/C16H18O6/c1-8(4-
    6-12(17)18)3-5-10-14(19)9
    (2)11-7-22-16(21)13(11)15
    (10)20/h3,19-20H,4-7H2,1-
    2H3,(H,17,18);
    MHSRNZSBNXFMLF-UHFFFAOYSA-N    		 CC(CCC(O)=O)=CCc1c(O)c(C)c2COC(=O)c2c1O;
    CC(/CCC(O)=O)=C/Cc1c(O)c(C)c2COC(=O)c2c
    1O; Cc1c2c(c(c(c1O)CC=C(C)CCC(=O)O)O)C(=
    O)OC2; Cc1c2c(c(c(c1O)C/C=C(\C)/CCC(=O)O
    )O)C(=O)OC2    		 O-desmethyl mycophenolic acid;
    (~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid
    17787 A1LWE 2 C11 H18 N5 O14 P3 InChI=1S/C11H18N5O14P3/c1
    -26-7-6(17)4(2-27-32(22,2
    3)30-33(24,25)29-31(19,20
    )21)28-10(7)16-3-13-5-8(1
    6)14-11(12)15-9(5)18/h3-4
    ,6-7,10,17H,2H2,1H3,(H,22
    ,23)(H,24,25)(H2,19,20,21
    )(H3,12,14,15,18)/t4-,6-,
    7-,10-/m1/s1;
    GMUJBFZJAFFHIW-KQYNXXCUSA-N    		 CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C
    (NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
    ; COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)
    (O)OP(=O)(O)OP(=O)(O)O)O; CO[CH]1[CH](O)
    [CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
    )O[CH]1n2cnc3C(=O)NC(=Nc23)N; CO[C@@H]1[
    C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P
    ](O)(O)=O)O[C@H]1n2cnc3C(=O)NC(=Nc23)N    		 [[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    17788 A1LWG 6 C13 H16 N2 O2 InChI=1S/C13H16N2O2/c1-9(
    13(16)17)14-7-6-10-8-15-1
    2-5-3-2-4-11(10)12/h2-5,8
    -9,14-15H,6-7H2,1H3,(H,16
    ,17);
    BGXZBALMOFWVRC-UHFFFAOYSA-N    		 C[CH](NCCc1c[nH]c2ccccc12)C(O)=O; C[C@H]
    (C(=O)O)NCCc1c[nH]c2c1cccc2; CC(C(=O)O)N
    CCc1c[nH]c2c1cccc2; C[C@@H](NCCc1c[nH]c2
    ccccc12)C(O)=O    		 (2~{R})-2-[2-(1~{H}-indol-3-yl)ethylamino]propanoic acid
    17789 A1LWH
    CHEMBL259571
    DB06083    		 1 C17 H18 O2 InChI=1S/C17H18O2/c1-12(2
    )17-15(18)10-14(11-16(17)
    19)9-8-13-6-4-3-5-7-13/h3
    -12,18-19H,1-2H3/b9-8+;
    ZISJNXNHJRQYJO-CMDGGOBGSA-N    		 CC(C)c1c(cc(cc1O)/C=C/c2ccccc2)O; CC(C)c
    1c(O)cc(/C=C/c2ccccc2)cc1O; CC(C)c1c(cc(
    cc1O)C=Cc2ccccc2)O; CC(C)c1c(O)cc(C=Cc2c
    cccc2)cc1O    		 Tapinarof;
    5-[(E)-2-phenylethenyl]-2-propan-2-yl-benzene-1,3-diol;
    DB06083
    17790 A1LWI
    CHEMBL472031    		 1 C19 H12 N2 O InChI=1S/C19H12N2O/c22-10
    -14-18-12-6-2-4-8-16(12)2
    0-17(18)9-13-11-5-1-3-7-1
    5(11)21-19(13)14/h1-10,20
    -21H;
    ZUDXFBWDXVNRKF-UHFFFAOYSA-N    		 c1ccc2c(c1)c3cc4c(c5ccccc5[nH]4)c(c3[nH]
    2)C=O; O=Cc1c2[nH]c3ccccc3c2cc4[nH]c5ccc
    cc5c14    		 5,11-dihydroindolo[3,2-b]carbazole-12-carbaldehyde
    17791 A1LWJ 1 C19 H14 O2 InChI=1S/C19H14O2/c20-16-
    12-18(14-7-2-1-3-8-14)21-
    17-11-10-13-6-4-5-9-15(13
    )19(16)17/h1-11,18H,12H2/
    t18-/m1/s1;
    XTWSWGKXWMYSLP-GOSISDBHSA-N    		 O=C1C[CH](Oc2ccc3ccccc3c12)c4ccccc4; O=C
    1C[C@@H](Oc2ccc3ccccc3c12)c4ccccc4; c1cc
    c(cc1)[C@H]2CC(=O)c3c4ccccc4ccc3O2; c1cc
    c(cc1)C2CC(=O)c3c4ccccc4ccc3O2    		 (3R)-3-phenyl-2,3-dihydrobenzo[f]chromen-1-one
    17792 A1LWK
    CHEMBL35479    		 1 C16 H10 N2 O2 InChI=1S/C16H10N2O2/c19-1
    5-9-5-1-3-7-11(9)17-13(15
    )14-16(20)10-6-2-4-8-12(1
    0)18-14/h1-8,17,19H;
    QQILFGKZUJYXGS-UHFFFAOYSA-N    		 Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O; c1c
    cc2c(c1)c(c([nH]2)C3=Nc4ccccc4C3=O)O    		 2-(3-oxidanyl-1H-indol-2-yl)indol-3-one
    17793 A1LWL
    CHEMBL277861    		 2 C17 H25 N O InChI=1S/C17H25NO/c19-17-
    9-5-4-8-16(17)18-12-10-15
    (11-13-18)14-6-2-1-3-7-14
    /h1-3,6-7,15-17,19H,4-5,8
    -13H2/t16-,17-/m0/s1;
    YSSBJODGIYRAMI-IRXDYDNUSA-N    		 O[CH]1CCCC[CH]1N2CCC(CC2)c3ccccc3; O[C@H
    ]1CCCC[C@@H]1N2CCC(CC2)c3ccccc3; c1ccc(c
    c1)C2CCN(CC2)C3CCCCC3O; c1ccc(cc1)C2CCN(
    CC2)[C@H]3CCCC[C@@H]3O    		 vesamicol;
    (1~{S},2~{S})-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;
    2-(4-Phenylpiperidino)cyclohexanol
    17794 A1LWM 3 C29 H43 N O4 InChI=1S/C29H43NO4/c1-7-2
    2(8-2)15-14-16-23(9-3)19-
    20(5)26(31)25(10-4)28(32)
    30-21(6)27(34-29(30)33)24
    -17-12-11-13-18-24/h7,11-
    13,16-18,20-21,25-27,31H,
    8-10,14-15,19H2,1-6H3/b22
    -7+,23-16+/t20-,21?,25?,2
    6?,27?/m0/s1;
    GIEHXLSOYWFSMM-FYYHNBHTSA-N    		 CCC(C(C(C)CC(=CCCC(=CC)CC)CC)O)C(=O)N1C(
    C(OC1=O)c2ccccc2)C; CCC(C(O)[CH](C)CC(CC
    )=CCCC(CC)=CC)C(=O)N1C(C)C(OC1=O)c2ccccc
    2; CCC(C(O)[C@@H](C)C\C(CC)=C\CC/C(CC)=C
    /C)C(=O)N1C(C)C(OC1=O)c2ccccc2; CC[C@H](
    [C@H]([C@@H](C)C/C(=C/CC/C(=C/C)/CC)/CC)
    O)C(=O)N1C(C(OC1=O)c2ccccc2)C    		 (4R,5S)-4-methyl-5-phenyl-3-((2R,3S,4S,6E,10E)-2,6,10-triethyl-3-hydroxy-4-methyldodeca-6,10-dienoyl)oxazolidin-2-one
    17795 A1LWO 2 C32 H27 F3 N6 O2 InChI=1S/C32H27F3N6O2/c1-
    20-12-21(10-11-37-20)28-1
    4-29(32(33,34)35)39-41(28
    )23-6-8-24(9-7-23)43-15-2
    2-13-26(25-4-2-3-5-27(25)
    38-22)30(42)40-18-31(19-4
    0)16-36-17-31/h2-14,36H,1
    5-19H2,1H3;
    IFBZQSRPXWNBLJ-UHFFFAOYSA-N    		 Cc1cc(ccn1)c2cc(nn2c3ccc(cc3)OCc4cc(c5cc
    ccc5n4)C(=O)N6CC7(C6)CNC7)C(F)(F)F; Cc1c
    c(ccn1)c2cc(nn2c3ccc(OCc4cc(C(=O)N5CC6(C
    NC6)C5)c7ccccc7n4)cc3)C(F)(F)F    		 2,6-diazaspiro[3.3]heptan-2-yl-[2-[[4-[5-(2-methylpyridin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]methyl]quinolin-4-yl]methanone
    17796 A1LWP 1 C20 H21 N O4 S InChI=1S/C20H21NO4S/c1-12
    (2)8-9-21-14-10-13(6-7-17
    (14)26-11-18(21)24)20(25)
    19-15(22)4-3-5-16(19)23/h
    6-8,10,22H,3-5,9,11H2,1-2
    H3;
    HUDLPHGXXZAIFM-UHFFFAOYSA-N    		 CC(=CCN1c2cc(ccc2SCC1=O)C(=O)C3=C(CCCC3=
    O)O)C; CC(C)=CCN1C(=O)CSc2ccc(cc12)C(=O)
    C3=C(O)CCCC3=O    		 4-(3-methylbut-2-enyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-1,4-benzothiazin-3-one
    17797 A1LWQ 1 C9 H9 N O3 InChI=1S/C9H9NO3/c10-7-3-
    1-6(2-4-7)5-8(11)9(12)13/
    h1-4H,5,10H2,(H,12,13);
    HWDZIRSKXFAMFU-UHFFFAOYSA-N    		 c1cc(ccc1CC(=O)C(=O)O)N; Nc1ccc(CC(=O)C(
    O)=O)cc1    		 3-(4-aminophenyl)-2-oxidanylidene-propanoic acid
    17798 A1LWR 1 C23 H21 N3 O6 InChI=1S/C23H21N3O6/c1-13
    -15(22(29)20-18(27)8-5-9-
    19(20)28)10-11-17-21(13)2
    5(23(30)24(17)2)12-14-6-3
    -4-7-16(14)26(31)32/h3-4,
    6-7,10-11,27H,5,8-9,12H2,
    1-2H3;
    DRLROISZNNCBFZ-UHFFFAOYSA-N    		 CN1C(=O)N(Cc2ccccc2[N+]([O-])=O)c3c(C)c(
    ccc13)C(=O)C4=C(O)CCCC4=O; Cc1c(ccc2c1N(
    C(=O)N2C)Cc3ccccc3[N+](=O)[O-])C(=O)C4=C
    (CCCC4=O)O    		 1,4-dimethyl-3-[(2-nitrophenyl)methyl]-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one
    17799 A1LWS
    CHEMBL5597957    		 1 C26 H32 N8 O2 InChI=1S/C26H32N8O2/c1-15
    -13-34(14-16(2)36-15)18-7
    -5-6-17(10-18)30-25-23-20
    (12-29-33-26(23)35)19(11-
    27)24(32-25)31-22-9-4-3-8
    -21(22)28/h5-7,10,12,15-1
    6,21-22H,3-4,8-9,13-14,28
    H2,1-2H3,(H,33,35)(H2,30,
    31,32)/t15-,16+,21-,22+/m
    0/s1;
    KGWLGIOZFOBIIA-VYXDICFBSA-N    		 C[CH]1CN(C[CH](C)O1)c2cccc(Nc3nc(N[CH]4C
    CCC[CH]4N)c(C#N)c5C=NNC(=O)c35)c2; CC1CN
    (CC(O1)C)c2cccc(c2)Nc3c4c(c(c(n3)NC5CCCC
    C5N)C#N)C=NNC4=O; C[C@@H]1CN(C[C@@H](O1)
    C)c2cccc(c2)Nc3c4c(c(c(n3)N[C@@H]5CCCC[C
    @@H]5N)C#N)C=NNC4=O; C[C@@H]1CN(C[C@H](C
    )O1)c2cccc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)c(
    C#N)c5C=NNC(=O)c35)c2    		 7-[[(1R,2S)-2-azanylcyclohexyl]amino]-5-[[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]amino]-4-oxidanylidene-3H-pyrido[3,4-d]pyridazine-8-carbonitrile
    17800 A1LWU 2 C26 H23 N3 O5 InChI=1S/C26H23N3O5/c1-15
    -18(25(33)24-20(30)4-3-5-
    21(24)31)10-11-19-23(15)2
    6(34)29(14-22(32)28(19)2)
    13-17-8-6-16(12-27)7-9-17
    /h6-11,30H,3-5,13-14H2,1-
    2H3;
    UFOLPYYCKLLBGZ-UHFFFAOYSA-N    		 CN1C(=O)CN(Cc2ccc(cc2)C#N)C(=O)c3c(C)c(c
    cc13)C(=O)C4=C(O)CCCC4=O; Cc1c(ccc2c1C(=
    O)N(CC(=O)N2C)Cc3ccc(cc3)C#N)C(=O)C4=C(C
    CCC4=O)O    		 4-[[1,6-dimethyl-2,5-bis(oxidanylidene)-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).