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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    39801
    VK2
    CHEMBL4875486    		 1 C24 H22 N8 O InChI=1S/C24H22N8O/c1-15-
    11-18(22-16(2)29-31(4)20(
    22)12-25)6-7-19(15)23-27-
    28-24(33-23)30(3)13-17-5-
    8-21-26-9-10-32(21)14-17/
    h5-11,14H,13H2,1-4H3;
    LOJVVUQLHLHRMD-UHFFFAOYSA-N    		 Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5
    c(nn(c5C#N)C)C; CN(Cc1ccc2nccn2c1)c3oc(n
    n3)c4ccc(cc4C)c5c(C)nn(C)c5C#N    		 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile
    39802
    VK3
    CHEMBL590
    DB00170
    ZINC000000001677    		 14 C11 H8 O2 InChI=1S/C11H8O2/c1-7-6-1
    0(12)8-4-2-3-5-9(8)11(7)1
    3/h2-6H,1H3;
    MJVAVZPDRWSRRC-UHFFFAOYSA-N    		 CC1=CC(=O)c2ccccc2C1=O; O=C2c1c(cccc1)C(
    =O)C(=C2)C    		 MENADIONE;
    VITAMIN K3;
    2-METHYL-1,4-NAPHTHALENEDIONE
    39803
    VK4    		 1 C30 H36 Cl2 N2 O5 InChI=1S/C30H36Cl2N2O5/c1
    -19-15-24(13-14-34(19)30(
    38)21-9-5-6-10-21)39-26-1
    8-23(31)17-25(29(26)32)33
    -27(35)16-22(11-12-28(36)
    37)20-7-3-2-4-8-20/h2-4,7
    -8,17-19,21-22,24H,5-6,9-
    16H2,1H3,(H,33,35)(H,36,3
    7)/t19-,22-,24-/m1/s1;
    NWXXXIQTJWEGQR-ZFJSRUIDSA-N    		 c1(cc(Cl)cc(c1Cl)OC2CC(N(CC2)C(C3CCCC3)=
    O)C)NC(=O)CC(c4ccccc4)CCC(O)=O; C[CH]1C[
    CH](CCN1C(=O)C2CCCC2)Oc3cc(Cl)cc(NC(=O)C
    [CH](CCC(O)=O)c4ccccc4)c3Cl; C[C@@H]1C[C
    @@H](CCN1C(=O)C2CCCC2)Oc3cc(cc(c3Cl)NC(=
    O)C[C@@H](CCC(=O)O)c4ccccc4)Cl; C[C@@H]1
    C[C@@H](CCN1C(=O)C2CCCC2)Oc3cc(Cl)cc(NC(
    =O)C[C@@H](CCC(O)=O)c4ccccc4)c3Cl; CC1CC
    (CCN1C(=O)C2CCCC2)Oc3cc(cc(c3Cl)NC(=O)CC
    (CCC(=O)O)c4ccccc4)Cl    		 (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid
    39804
    VK5
    CHEMBL4879190    		 1 C32 H35 N9 O InChI=1S/C32H35N9O/c1-20-
    14-26(29-21(2)37-40(7)22(
    29)3)15-34-30(20)31-35-36
    -32(42-31)39(6)18-24-10-1
    3-28-33-16-27(41(28)19-24
    )25-11-8-23(9-12-25)17-38
    (4)5/h8-16,19H,17-18H2,1-
    7H3;
    CZIXXCVLEHVEBZ-UHFFFAOYSA-N    		 Cc1cc(cnc1c2nnc(o2)N(C)Cc3ccc4ncc(n4c3)c
    5ccc(cc5)CN(C)C)c6c(nn(c6C)C)C; CN(C)Cc1
    ccc(cc1)c2cnc3ccc(CN(C)c4oc(nn4)c5ncc(cc
    5C)c6c(C)nn(C)c6C)cn23    		 ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
    39805
    VK6    		 1 C16 H17 N3 O6 S2 InChI=1S/C16H17N3O6S2/c20
    -14(21)8-12-10-26-16(19(1
    2)23)17-15(22)11-6-7-18(9
    -11)27(24,25)13-4-2-1-3-5
    -13/h1-5,10-11,23H,6-9H2,
    (H,20,21)/b17-16-/t11-/m1
    /s1;
    SIHOQGBZZIZREU-RRGFCBMYSA-N    		 ON1C(=CSC1=NC(=O)[C@@H]2CCN(C2)[S](=O)(=
    O)c3ccccc3)CC(O)=O; c1ccc(cc1)S(=O)(=O)N
    2CC[C@H](C2)C(=O)/N=C\3/N(C(=CS3)CC(=O)O
    )O; c1ccc(cc1)S(=O)(=O)N2CCC(C2)C(=O)N=C
    3N(C(=CS3)CC(=O)O)O; ON1C(=CSC1=NC(=O)[C
    H]2CCN(C2)[S](=O)(=O)c3ccccc3)CC(O)=O    		 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid
    39806
    VK7
    CHEMBL4752644    		 1 C30 H26 F8 N2 O5 S InChI=1S/C30H26F8N2O5S/c3
    1-20-6-8-21(9-7-20)46(44,
    45)27-11-12-40(25(41)16-1
    -3-17(4-2-16)26(42)43)24(
    27)10-5-18-13-23(19(15-39
    )14-22(18)27)28(32,29(33,
    34)35)30(36,37)38/h6-9,13
    -14,16-17,24H,1-5,10-12H2
    ,(H,42,43)/t16-,17-,24-,2
    7-/m1/s1;
    SHXNYZOAPQIDHP-MUFCAHJZSA-N    		 OC(=O)[CH]1CC[CH](CC1)C(=O)N2CC[C]3([CH]
    2CCc4cc(c(cc34)C#N)C(F)(C(F)(F)F)C(F)(F)
    F)[S](=O)(=O)c5ccc(F)cc5; OC(=O)[C@@H]1C
    C[C@H](CC1)C(=O)N2CC[C@@]3([C@H]2CCc4cc(
    c(cc34)C#N)C(F)(C(F)(F)F)C(F)(F)F)[S](=O
    )(=O)c5ccc(F)cc5; c1cc(ccc1F)S(=O)(=O)C2
    3CCN(C2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)
    F)F)C#N)C(=O)C5CCC(CC5)C(=O)O; c2(c(C(C(
    F)(F)F)(C(F)(F)F)F)cc1CCC4C(c1c2)(S(c3cc
    c(cc3)F)(=O)=O)CCN4C(=O)C5CCC(CC5)C(=O)O
    )C#N; c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@
    @H]2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)F)F
    )C#N)C(=O)C5CCC(CC5)C(=O)O    		 trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
    39807
    VK8    		 5 C25 H20 N4 O3 InChI=1S/C25H20N4O3/c30-2
    0-10-6-18(7-11-20)15-29-2
    5(32)28-16-23(19-8-12-21(
    31)13-9-19)26-22(24(28)27
    -29)14-17-4-2-1-3-5-17/h1
    -13,16,30-31H,14-15H2;
    FAFQJYQLYIUGAT-UHFFFAOYSA-N    		 Oc1ccc(CN2N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(
    O)cc5)C2=O)cc1; c1ccc(cc1)CC2=NC(=CN3C2=
    NN(C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O    		 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
    39808
    VK9    		 1 C18 H27 N7 O2 S2 InChI=1S/C18H27N7O2S2/c19
    -17-16-18(23-11-22-17)25(
    12-24-16)10-15(27)21-8-3-
    7-20-14(26)5-2-1-4-13-6-9
    -28-29-13/h11-13H,1-10H2,
    (H,20,26)(H,21,27)(H2,19,
    22,23)/t13-/m1/s1;
    AIPYQGISPXYWAZ-CYBMUJFWSA-N    		 Nc1ncnc2n(CC(=O)NCCCNC(=O)CCCC[C@@H]3CCS
    S3)cnc12; c1nc(c2c(n1)n(cn2)CC(=O)NCCCNC
    (=O)CCCCC3CCSS3)N; Nc1ncnc2n(CC(=O)NCCCN
    C(=O)CCCC[CH]3CCSS3)cnc12; c1nc(c2c(n1)n
    (cn2)CC(=O)NCCCNC(=O)CCCC[C@@H]3CCSS3)N    		 ~{N}-[3-[2-(6-aminopurin-9-yl)ethanoylamino]propyl]-5-[(3~{R})-1,2-dithiolan-3-yl]pentanamide
    39809
    VKA    		 2 C64 H84 F3 N11 O7 S InChI=1S/C64H84F3N11O7S/c
    1-43-58(86-42-71-43)46-20
    -18-44(19-21-46)38-70-61(
    84)54-36-49(79)41-78(54)6
    2(85)59(63(2,3)4)73-56(81
    )17-12-10-8-6-7-9-11-16-5
    5(80)68-24-25-75-28-30-76
    (31-29-75)40-45-14-13-15-
    47(34-45)48-22-23-53(77-3
    2-26-74(5)27-33-77)52(35-
    48)72-60(83)50-39-69-57(8
    2)37-51(50)64(65,66)67/h1
    3-15,18-23,34-35,39,42,49
    ,54,59,79H,6-12,16-17,24-
    33,36-38,40-41H2,1-5H3,(H
    ,68,80)(H,70,84)(H,72,83)
    (H,73,81)/t49-,54+,59-/m1
    /s1;
    OFTPQBXGPMFYDS-QWQPEEPRSA-N    		 Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H]
    (CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCC
    (=O)NCCN4CCN(CC4)Cc5cccc(c5)c6ccc(c(c6)N
    C(=O)C7=C(CC(=O)N=C7)C(F)(F)F)N8CCN(CC8)
    C)O; CN1CCN(CC1)c2ccc(cc2NC(=O)C3=C(CC(=
    O)N=C3)C(F)(F)F)c4cccc(CN5CCN(CCNC(=O)CC
    CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H
    ]6C(=O)NCc7ccc(cc7)c8scnc8C)C(C)(C)C)CC5
    )c4; c1(c(ncs1)C)c2ccc(cc2)CNC(=O)C8N(C(
    =O)C(C(C)(C)C)NC(CCCCCCCCCC(NCCN7CCN(Cc6
    cc(c5cc(NC(C=3C=NC(=O)CC=3C(F)(F)F)=O)c(
    N4CCN(CC4)C)cc5)ccc6)CC7)=O)=O)CC(C8)O;
    Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)
    C(C(C)(C)C)NC(=O)CCCCCCCCCC(=O)NCCN4CCN(
    CC4)Cc5cccc(c5)c6ccc(c(c6)NC(=O)C7=C(CC(
    =O)N=C7)C(F)(F)F)N8CCN(CC8)C)O; CN1CCN(C
    C1)c2ccc(cc2NC(=O)C3=C(CC(=O)N=C3)C(F)(F
    )F)c4cccc(CN5CCN(CCNC(=O)CCCCCCCCCC(=O)N
    [CH](C(=O)N6C[CH](O)C[CH]6C(=O)NCc7ccc(c
    c7)c8scnc8C)C(C)(C)C)CC5)c4    		 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide;
    Protac MS33
    39810
    VKB
    ZINC000003649955    		 1 C17 H15 N3 O InChI=1S/C17H15N3O/c18-17
    -15(10-12-4-2-1-3-5-12)20
    -16(11-19-17)13-6-8-14(21
    )9-7-13/h1-9,11,21H,10H2,
    (H2,18,19);
    BWNPYAKFDUFNND-UHFFFAOYSA-N    		 Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3; c1ccc(c
    c1)Cc2c(ncc(n2)c3ccc(cc3)O)N    		 4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol
    39811
    VKC    		 1 C4 H8 O4 InChI=1S/C4H8O4/c5-1-2-8-
    3-4(6)7/h5H,1-3H2,(H,6,7)
    /p-1;
    VDNMIIDPBBCMTM-UHFFFAOYSA-M    		 [O-]C(=O)COCCO; OCCOCC(O)=O; C(COCC(=O)O
    )O    		 (2-hydroxyethoxy)acetic acid
    39812
    VKD
    ZINC000060325171    		 1 C21 H21 F3 I N3 O2 InChI=1S/C21H21F3IN3O2/c2
    2-14-6-5-13(19(18(14)24)2
    7-16-7-4-12(25)9-15(16)23
    )20(29)28-10-21(30,11-28)
    17-3-1-2-8-26-17/h4-7,9,1
    7,26-27,30H,1-3,8,10-11H2
    /t17-/m1/s1;
    BSMCAPRUBJMWDF-QGZVFWFLSA-N    		 OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc
    3F)[C@H]4CCCCN4; c1cc(c(cc1I)F)Nc2c(ccc(
    c2F)F)C(=O)N3CC(C3)([C@H]4CCCCN4)O; OC1(
    CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[
    CH]4CCCCN4; C1CCCNC1C4(CN(C(c2c(c(c(cc2)
    F)F)Nc3ccc(I)cc3F)=O)C4)O; c1cc(c(cc1I)F
    )Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(C4CCCCN4)O    		 Cobimetinib;
    {3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone
    39813
    VKE
    CHEMBL4539856
    ZINC000032123984    		 2 C11 H9 O7 P InChI=1S/C11H9O7P/c12-11-
    1-6(4-19(13,14)15)7-2-9-1
    0(17-5-16-9)3-8(7)18-11/h
    1-3H,4-5H2,(H2,13,14,15);
    RMWCNOJRLBGOBW-UHFFFAOYSA-N    		 c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O; C(
    P(=O)(O)O)C1=CC(=O)Oc2c1cc3c(c2)OCO3; O[
    P](O)(=O)CC1=CC(=O)Oc2cc3OCOc3cc12    		 [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
    39814
    VKF
    ZINC000008698360    		 1 C8 H6 F2 O2 InChI=1S/C8H6F2O2/c9-7(10
    )5-1-3-6(4-2-5)8(11)12/h1
    -4,7H,(H,11,12);
    AVYXJQFZBUXNHB-UHFFFAOYSA-N    		 c1cc(ccc1C(F)F)C(=O)O; FC(F)c1ccc(cc1)C(
    =O)O; OC(=O)c1ccc(cc1)C(F)F    		 4-(difluoromethyl)benzoic acid
    39815
    VKG    		 2 C25 H24 F I N6 O5 S InChI=1S/C25H24FIN6O5S/c1
    -13-21-20(22(31(3)23(13)3
    4)29-19-10-7-14(27)11-18(
    19)26)24(35)33(16-8-9-16)
    25(36)32(21)17-6-4-5-15(1
    2-17)30-39(37,38)28-2/h4-
    7,10-12,16,28-30H,8-9H2,1
    -3H3;
    DNNMBAWCLGMMRJ-UHFFFAOYSA-N    		 CNS(Nc1cccc(c1)N5C(N(C2CC2)C(C=3C5=C(C(=
    O)N(C=3Nc4ccc(I)cc4F)C)C)=O)=O)(=O)=O; C
    C1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(
    C(=O)N2c4cccc(c4)NS(=O)(=O)NC)C5CC5; CN[
    S](=O)(=O)Nc1cccc(c1)N2C(=O)N(C3CC3)C(=O
    )C4=C(Nc5ccc(I)cc5F)N(C)C(=O)C(=C24)C    		 N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)-N'-methylsulfuric diamide
    39816
    VKH    		 7 C7 H16 N O4 InChI=1S/C7H15NO4/c8-4-1-
    5(10)7(12)6(11)3(4)2-9/h3
    -7,9-12H,1-2,8H2/p+1/t3-,
    4-,5+,6+,7+/m0/s1;
    FGLYJEXIORSHSO-PAMBMQIZSA-O    		 C1C(C(C(C(C1O)O)O)CO)[NH3+]; [NH3+][C@H]
    1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO; C1
    [C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)
    CO)[NH3+]; [NH3+][CH]1C[CH](O)[CH](O)[CH
    ](O)[CH]1CO    		 (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
    39817
    VKI    		 0 C45 H55 N6 O7 S2 InChI=1S/C45H54N6O7S2/c1-
    50-20-17-33(35-27-32(13-1
    6-37(35)50)31-11-14-34(55
    -2)15-12-31)28-43-51(38-7
    -3-4-8-39(38)60-43)29-42(
    53)47-19-22-57-24-26-58-2
    5-23-56-21-18-46-41(52)10
    -6-5-9-40-44-36(30-59-40)
    48-45(54)49-44/h3-4,7-8,1
    1-17,20,27-28,36,40,44H,5
    -6,9-10,18-19,21-26,29-30
    H2,1-2H3,(H3-,46,47,48,49
    ,52,53,54)/p+1;
    WHIFPTXUSZXQNM-UHFFFAOYSA-O    		 COc1ccc(cc1)c2ccc3N(C)C=CC(=C/c4sc5ccccc
    5[n+]4CC(=O)NCCOCCOCCOCCNC(=O)CCCCC6SCC7
    NC(=O)NC67)\c3c2; COc1ccc(cc1)c2ccc3N(C)
    C=CC(=Cc4sc5ccccc5[n+]4CC(=O)NCCOCCOCCOC
    CNC(=O)CCCCC6SCC7NC(=O)NC67)c3c2; CN1C=C
    C(=Cc2[n+](c3ccccc3s2)CC(=O)NCCOCCOCCOCC
    NC(=O)CCCCC4C5C(CS4)NC(=O)N5)c6c1ccc(c6)
    c7ccc(cc7)OC; CN1C=C/C(=C\c2[n+](c3ccccc
    3s2)CC(=O)NCCOCCOCCOCCNC(=O)CCCCC4C5C(CS
    4)NC(=O)N5)/c6c1ccc(c6)c7ccc(cc7)OC; O=C
    1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c
    4ccccc4sc3/C=C3\C=CN(C)c4ccc(cc43)c3ccc(
    OC)cc3)SCC2N1    		 3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
    39818
    VKJ
    ZINC000263620554    		 0 C30 H28 N5 O10 P InChI=1S/C30H28N5O10P/c36
    -17-9-19(45-18(17)10-44-4
    6(41,42)43)35-11-31-24-28
    (35)33-30(34-29(24)40)32-
    23-22-15-7-6-13-3-1-2-12-
    4-5-14(21(15)20(12)13)8-1
    6(22)25(37)27(39)26(23)38
    /h1-8,11,17-19,23,25-27,3
    6-39H,9-10H2,(H2,41,42,43
    )(H2,32,33,34,40)/t17-,18
    +,19+,23-,25+,26+,27-/m0/
    s1;
    IKLPJCZKMODXAH-KCAXFQNZSA-N    		 c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C(C(C(C4O)O
    )O)NC6=Nc7c(ncn7C8CC(C(O8)COP(=O)(O)O)O)
    C(=O)N6; c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C
    @@H]([C@H]([C@H]([C@@H]4O)O)O)NC6=Nc7c(n
    cn7[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)
    C(=O)N6; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)
    (O)=O)n2cnc3C(=O)NC(=Nc23)N[C@@H]4[C@@H]
    (O)[C@@H](O)[C@H](O)c5cc6ccc7cccc8ccc(c4
    5)c6c78; O=P(O)(O)OCC8OC(n7cnc6c7N=C(NC3
    c2c5c1c4c(ccc1cc2C(O)C(O)C3O)cccc4cc5)NC
    6=O)CC8O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=
    O)n2cnc3C(=O)NC(=Nc23)N[CH]4[CH](O)[CH](
    O)[CH](O)c5cc6ccc7cccc8ccc(c45)c6c78    		 2'-deoxy-N-[(7R,8S,9R,10S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine 5'-(dihydrogen phosphate)
    39819
    VKK
    CHEMBL464612
    ZINC000013507867    		 1 C15 H18 O8 InChI=1S/C15H18O8/c16-7-1
    0-12(19)13(20)14(21)15(22
    -10)23-11(18)6-3-8-1-4-9(
    17)5-2-8/h1-6,10,12-17,19
    -21H,7H2/b6-3+/t10-,12-,1
    3+,14-,15+/m1/s1;
    DSNCQKUYZOSARM-QVLXMGEUSA-N    		 OC[CH]1O[CH](OC(=O)C=Cc2ccc(O)cc2)[CH](O
    )[CH](O)[CH]1O; OC[C@H]1O[C@@H](OC(=O)\C
    =C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
    ; c1cc(ccc1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)
    O)O; c1cc(ccc1/C=C/C(=O)O[C@H]2[C@@H]([C
    @H]([C@@H]([C@H](O2)CO)O)O)O)O    		 p-coumaroyl glucose;
    [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (~{E})-3-(4-hydroxyphenyl)prop-2-enoate
    39820
    VKL    		 1 C12 H12 F2 N4 InChI=1S/C12H11F2N4/c1-17
    -12-15-4-5-18(12)7-11(16-
    17)8-2-3-9(13)10(14)6-8/h
    2-3,6-7H,4-5H2,1H3/q+1/p+
    1;
    LPONEBABNALWCF-UHFFFAOYSA-O    		 C[n+]1c2[n+](cc(n1)c3ccc(c(c3)F)F)CCN2;
    C[n+]1nc(c[n+]2CCNc12)c3ccc(F)c(F)c3    		 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene
    39821
    VKM
    CHEMBL5076509    		 4 C19 H17 F N6 O3 InChI=1S/C19H17FN6O3/c1-2
    5-9-21-18-16(25)19(27)26(
    10-22-18)7-15-23-17(24-29
    -15)12-6-14(28-8-12)11-2-
    4-13(20)5-3-11/h2-5,9-10,
    12,14H,6-8H2,1H3/t12-,14+
    /m0/s1;
    KVSPYEYQFMGJNK-GXTWGEPZSA-N    		 Cn1cnc2N=CN(Cc3onc(n3)[C@@H]4CO[C@H](C4)
    c5ccc(F)cc5)C(=O)c12; Cn1cnc2c1C(=O)N(C=
    N2)Cc3nc(no3)[C@H]4C[C@@H](OC4)c5ccc(cc5
    )F; Cn5c4C(N(Cc3nc(C2CC(c1ccc(cc1)F)OC2)
    no3)C=Nc4nc5)=O; Cn1cnc2c1C(=O)N(C=N2)Cc
    3nc(no3)C4CC(OC4)c5ccc(cc5)F; Cn1cnc2N=C
    N(Cc3onc(n3)[CH]4CO[CH](C4)c5ccc(F)cc5)C
    (=O)c12    		 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one
    39822
    VKN    		 6 C7 H14 O6 InChI=1S/C7H14O6/c8-1-2-3
    (9)5(11)7(13)6(12)4(2)10/
    h2-13H,1H2/t2-,3-,4-,5+,6
    +,7+/m1/s1;
    QFYQIWDMMSKNFF-MAFUWASYSA-N    		 C(C1C(C(C(C(C1O)O)O)O)O)O; C(C1[C@H]([C@
    @H](C([C@H]([C@@H]1O)O)O)O)O)O; OC[CH]1[
    CH](O)[CH](O)[CH](O)[CH](O)[CH]1O; OC[C@
    @H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C
    @@H]1O    		 (1R,2S,4S,5R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
    39823
    VKO
    ZINC000050291265    		 2 C13 H15 N O3 InChI=1S/C13H15NO3/c1-9-4
    -2-3-5-10(9)8-14-11(15)13
    (6-7-13)12(16)17/h2-5H,6-
    8H2,1H3,(H,14,15)(H,16,17
    );
    ZRJDEOZVQDFPRH-UHFFFAOYSA-N    		 Cc1ccccc1CNC(=O)C2(CC2)C(=O)O; O=C(O)C1(
    CC1)C(=O)NCc1ccccc1C; Cc1ccccc1CNC(=O)C2
    (CC2)C(O)=O    		 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid
    39824
    VKP
    CHEMBL4762625    		 2 C16 H19 Cl2 N5 S InChI=1S/C16H19Cl2N5S/c1-
    16(20)5-7-23(8-6-16)12-9-
    21-15(14(19)22-12)24-11-4
    -2-3-10(17)13(11)18/h2-4,
    9H,5-8,20H2,1H3,(H2,19,22
    );
    VPEZYDNNURIHBQ-UHFFFAOYSA-N    		 c2(Sc1c(c(ccc1)Cl)Cl)ncc(nc2N)N3CCC(N)(C
    C3)C; CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c
    3Cl)Cl)N; CC1(N)CCN(CC1)c2cnc(Sc3cccc(Cl
    )c3Cl)c(N)n2    		 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine
    39825
    VKQ
    CHEMBL5197101    		 2 C23 H27 N5 O2 InChI=1S/C23H27N5O2/c1-3-
    17-13-18-5-4-16(12-21(18)
    26-22(17)29)15-27-8-10-28
    (11-9-27)19-6-7-20(25-14-
    19)23(30)24-2/h4-7,12-14H
    ,3,8-11,15H2,1-2H3,(H,24,
    30)(H,26,29);
    CEIZJAXIHJZKRG-UHFFFAOYSA-N    		 CCC1=Cc2ccc(CN3CCN(CC3)c4ccc(nc4)C(=O)NC
    )cc2NC1=O; CCC1=Cc2ccc(cc2NC1=O)CN3CCN(C
    C3)c4ccc(nc4)C(=O)NC    		 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
    39826
    VKS
    CHEMBL4650521    		 2 C18 H24 Cl N7 O S InChI=1S/C18H24ClN7OS/c1-
    10-14(20)18(9-27-10)3-6-2
    6(7-4-18)12-8-24-17(16(22
    )25-12)28-11-2-5-23-15(21
    )13(11)19/h2,5,8,10,14H,3
    -4,6-7,9,20H2,1H3,(H2,21,
    23)(H2,22,25)/t10-,14+/m0
    /s1;
    UCJZOKGUEJUNIO-IINYFYTJSA-N    		 CC1C(C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4C
    l)N)CO1)N; C[C@@H]1OCC2(CCN(CC2)c3cnc(Sc
    4ccnc(N)c4Cl)c(N)n3)[C@@H]1N; C[C@H]1[C@
    H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)
    N)CO1)N; C[CH]1OCC2(CCN(CC2)c3cnc(Sc4ccn
    c(N)c4Cl)c(N)n3)[CH]1N; c1cc(c(c(N)n1)Cl
    )Sc2ncc(nc2N)N4CCC3(C(C(OC3)C)N)CC4    		 (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
    39827
    VKT
    CHEMBL5181905    		 2 C21 H27 N5 O InChI=1S/C21H27N5O/c1-4-1
    7-12-18-6-5-16(11-19(18)2
    3-20(17)27)14-25-7-9-26(1
    0-8-25)21-22-13-15(2)24(2
    1)3/h5-6,11-13H,4,7-10,14
    H2,1-3H3,(H,23,27);
    VOQRBLKAJQZWAI-UHFFFAOYSA-N    		 CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4
    C)C; CCC1=Cc2ccc(CN3CCN(CC3)c4ncc(C)n4C)
    cc2NC1=O    		 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one
    39828
    VKV
    CHEMBL146346
    ZINC000003981490    		 2 C23 H40 O3 InChI=1S/C23H40O3/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18-19-20-26-23
    (21-24)22-25/h6-7,9-10,12
    -13,15-16,23-25H,2-5,8,11
    ,14,17-22H2,1H3/b7-6-,10-
    9-,13-12-,16-15-;
    CUJUUWXZAQHCNC-DOFZRALJSA-N    		 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO
    ; CCCCC\C=C/C/C=C\C\C=C/C\C=C/CCCCOC(CO)
    CO; C(CO)(OCCCC\C=C/C\C=C/C/C=C\C/C=C\CC
    CCC)CO; CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO    		 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol;
    2-Arachidonyl Glycerol Ether
    39829
    VKW
    CHEMBL5193246    		 2 C20 H25 Cl N6 O InChI=1S/C20H25ClN6O/c1-1
    4-13-22-20(25(14)2)27-11-
    9-26(10-12-27)8-4-7-17-23
    -18-15(19(28)24-17)5-3-6-
    16(18)21/h3,5-6,13H,4,7-1
    2H2,1-2H3,(H,23,24,28);
    HVYNZDGGVRBTFE-UHFFFAOYSA-N    		 Cn1c(C)cnc1N2CCN(CCCC3=Nc4c(Cl)cccc4C(=O
    )N3)CC2; Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c
    (cccc4Cl)C(=O)N3    		 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one
    39830
    VKX
    ZINC000019947314    		 2 C13 H16 N2 O InChI=1S/C13H16N2O/c16-12
    -7-8-13(11-5-2-1-3-6-11)1
    4-9-4-10-15(12)13/h1-3,5-
    6,14H,4,7-10H2/t13-/m0/s1;
    VXKUXARBYXJFRT-ZDUSSCGKSA-N    		 c1ccc(cc1)C23CCC(=O)N2CCCN3; O=C1CC[C]2(
    NCCCN12)c3ccccc3; O=C1CC[C@@]2(NCCCN12)c
    3ccccc3; O=C1CCC2(NCCCN12)c1ccccc1; c1cc
    c(cc1)[C@]23CCC(=O)N2CCCN3    		 (5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one
    39831
    VKZ    		 3 C24 H30 Cl Ir N4 O3 S InChI=1S/C14H16N4O3S.C10H
    15.ClH.Ir/c15-11-6-8-17-1
    3(9-11)14(19)18-7-5-10-1-
    3-12(4-2-10)22(16,20)21;1
    -6-7(2)9(4)10(5)8(6)3;;/h
    1-4,6,8-9H,5,7H2,(H5,15,1
    6,17,18,19,20,21);1-5H3;1
    H;/q;;;+3/p-2;
    OZNKLFOMSCDAEE-UHFFFAOYSA-L    		 CC1C(C)C(C)C(C)C1C.Nc2cc[n+]3[Ir](Cl)N(C
    Cc4ccc(cc4)[S](N)(=O)=O)C(=O)c3c2; CC12C
    3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C
    (=O)N6CCc8ccc(cc8)S(=O)(=O)N)N)Cl)C    		 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
    39832
    VL0    		 2 C20 H17 N O5 S InChI=1S/C20H17NO5S/c22-1
    9-11-10-17(13-18(19)20(23
    )24)27(25,26)21-16-8-6-15
    (7-9-16)12-14-4-2-1-3-5-1
    4/h1-11,13,21-22H,12H2,(H
    ,23,24);
    RLHVRGDXIJZLQC-UHFFFAOYSA-N    		 OC(=O)c1cc(ccc1O)[S](=O)(=O)Nc2ccc(Cc3cc
    ccc3)cc2; c1ccc(cc1)Cc2ccc(cc2)NS(=O)(=O
    )c3ccc(c(c3)C(=O)O)O    		 2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid
    39833
    VL1
    CHEMBL592445
    DB11896
    ZINC000049757175    		 1 C32 H41 N9 O4 InChI=1S/C32H41N9O4/c1-38
    (2)27-11-13-39(14-12-27)2
    9(42)24-5-9-26(10-6-24)34
    -32(43)33-25-7-3-23(4-8-2
    5)28-35-30(40-15-19-44-20
    -16-40)37-31(36-28)41-17-
    21-45-22-18-41/h3-10,27H,
    11-22H2,1-2H3,(H2,33,34,4
    3);
    DWZAEMINVBZMHQ-UHFFFAOYSA-N    		 CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3c
    cc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6; CN(
    C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)
    c4nc(nc(n4)N5CCOCC5)N6CCOCC6)cc2; C(N1CC
    C(N(C)C)CC1)(c6ccc(NC(Nc2ccc(cc2)c4nc(N3
    CCOCC3)nc(n4)N5CCOCC5)=O)cc6)=O    		 Gedatolisib;
    N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-N'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea
    39834
    VL2    		 1 C24 H28 Cl Ir N4 O5 S InChI=1S/C14H14N4O5S.C10H
    15.ClH.Ir/c15-24(22,23)12
    -3-1-10(2-4-12)5-7-17-14(
    19)13-9-11(18(20)21)6-8-1
    6-13;1-6-7(2)9(4)10(5)8(6
    )3;;/h1-4,6,8-9H,5,7H2,(H
    3,15,17,19,22,23);1-5H3;1
    H;/q;;;+3/p-2;
    WUOZRCRVUWNRSO-UHFFFAOYSA-L    		 CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN
    3[Ir](Cl)[n+]4ccc(cc4C3=O)[N](=O)=O)cc2;
    CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7cc
    c(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N(=O)
    =O)Cl)C    		 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
    39835
    VL4
    ZINC000095921395    		 4 C27 H32 N2 O7 InChI=1S/C27H32N2O7/c1-29
    (14-18-7-2-3-8-21(18)26(3
    2)28-13-17-5-4-6-17)15-19
    -9-11-22-25(24(19)27(33)3
    4)35-16-20(36-22)10-12-23
    (30)31/h2-3,7-9,11,17,20H
    ,4-6,10,12-16H2,1H3,(H,28
    ,32)(H,30,31)(H,33,34)/t2
    0-/m0/s1;
    LOEPUEZHCDNOEG-FQEVSTJZSA-N    		 CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=
    O)O)OCC(O4)CCC(=O)O; O=C(NCC1CCC1)c2cccc
    c2CN(C)Cc4ccc3OC(COc3c4C(=O)O)CCC(=O)O;
    CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=
    O)O)OC[C@@H](O4)CCC(=O)O; CN(Cc1ccccc1C(
    =O)NCC2CCC2)Cc3ccc4O[CH](CCC(O)=O)COc4c3
    C(O)=O; CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc
    4O[C@@H](CCC(O)=O)COc4c3C(O)=O    		 (2S)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
    39836
    VL5    		 4 C25 H34 N8 O10 S2 InChI=1S/C25H34N8O10S2/c1
    -25(2,33-43-45(38,39)40)1
    9(11-34)31-22(35)20(17-13
    -44-24(27)30-17)32-42-18(
    23(36)37)12-41-16-7-5-14(
    6-8-16)21(26)29-15-4-3-9-
    28-10-15/h5-8,11,13,15,18
    -19,28,33H,3-4,9-10,12H2,
    1-2H3,(H2,26,29)(H2,27,30
    )(H,31,35)(H,36,37)(H,38,
    39,40)/b32-20-/t15-,18+,1
    9-/m1/s1;
    NFNVPYWCKFTXAX-OOLKDPNPSA-N    		 CC(C)(C(C=O)NC(=O)C(=NOC(COc1ccc(cc1)C(=
    N)NC2CCCNC2)C(=O)O)c3csc(n3)N)NOS(=O)(=O
    )O; CC(C)(NO[S](O)(=O)=O)[CH](NC(=O)C(=N
    O[CH](COc1ccc(cc1)C(=N)N[CH]2CCCNC2)C(O)
    =O)c3csc(N)n3)C=O; CC(C)(NO[S](O)(=O)=O)
    [C@H](NC(=O)C(=N\O[C@@H](COc1ccc(cc1)C(=
    N)N[C@@H]2CCCNC2)C(O)=O)/c3csc(N)n3)C=O;
    [H]/N=C(/c1ccc(cc1)OC[C@@H](C(=O)O)O/N=
    C(/c2csc(n2)N)\C(=O)N[C@H](C=O)C(C)(C)NO
    S(=O)(=O)O)\N[C@@H]3CCCNC3    		 (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid;
    AIC499 (bound)
    39837
    VL6    		 4 C30 H40 N4 O7 S InChI=1S/C30H40N4O7S/c1-1
    8(2)27(25-15-26(33-41-25)
    40-13-12-39-11-10-38-5)30
    (37)34-16-23(35)14-24(34)
    29(36)32-19(3)21-6-8-22(9
    -7-21)28-20(4)31-17-42-28
    /h6-9,15,17-19,23-24,27,3
    5H,10-14,16H2,1-5H3,(H,32
    ,36);
    NBSZVQIAZCKTLM-UHFFFAOYSA-N    		 COCCOCCOc1cc(on1)[CH](C(C)C)C(=O)N2C[CH]
    (O)C[CH]2C(=O)N[CH](C)c3ccc(cc3)c4scnc4C
    ; COCCOCCOc1cc(on1)[C@@H](C(C)C)C(=O)N2C
    [C@H](O)C[C@H]2C(=O)N[C@@H](C)c3ccc(cc3)
    c4scnc4C; Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)
    C3CC(CN3C(=O)C(c4cc(no4)OCCOCCOC)C(C)C)O
    ; Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@
    H]3C[C@H](CN3C(=O)[C@@H](c4cc(no4)OCCOCC
    OC)C(C)C)O    		 (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide
    39838
    VL7
    ZINC000013540278    		 2 C21 H38 O4 InChI=1S/C21H38O4/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-21(24)25-20(18
    -22)19-23/h6-7,9-10,20,22
    -23H,2-5,8,11-19H2,1H3/b7
    -6-,10-9-;
    IEPGNWMPIFDNSD-HZJYTTRNSA-N    		 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO; CC
    CCCC=CCC=CCCCCCCCC(=O)OC(CO)CO; CCCCC\C=
    C/C\C=C/CCCCCCCC(=O)OC(CO)CO; C(CC(=O)OC
    (CO)CO)CCCCCC=[C@H]C\C=C/CCCCC    		 1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
    39839
    VL8
    ZINC000096034555    		 1 C11 H13 Cl2 N O2 InChI=1S/C11H13Cl2NO2/c1-
    3-10(11(15)14-2)16-7-4-5-
    8(12)9(13)6-7/h4-6,10H,3H
    2,1-2H3,(H,14,15)/t10-/m1
    /s1;
    CWZMYVACWFQQKV-SNVBAGLBSA-N    		 CCC(C(=O)NC)Oc1ccc(c(c1)Cl)Cl; CC[CH](Oc
    1ccc(Cl)c(Cl)c1)C(=O)NC; CC[C@H](C(=O)NC
    )Oc1ccc(c(c1)Cl)Cl; CC[C@@H](Oc1ccc(Cl)c
    (Cl)c1)C(=O)NC; Clc1ccc(OC(CC)C(=O)NC)cc
    1Cl    		 (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide
    39840
    VL9    		 1 C36 H38 Cl2 N3 O7 S InChI=1S/C36H38Cl2N3O7S/c
    1-45-29-10-8-24(16-31(29)
    46-2)30(17-26-27(37)19-41
    (44)20-28(26)38)47-35(42)
    33-11-9-25(49-33)18-39-34
    (23-6-4-3-5-7-23)36(43)48
    -32-21-40-14-12-22(32)13-
    15-40/h3-11,16,19-20,22,3
    0,32,34,39,44H,12-15,17-1
    8,21H2,1-2H3/t30-,32-,34+
    /m0/s1;
    IMHXWUGXDHLPGY-LEEDBYTESA-N    		 COc1ccc(cc1OC)[CH](Cc2c(Cl)c[n](O)cc2Cl)
    OC(=O)c3sc(CN[CH](C(=O)O[CH]4CN5CCC4CC5)
    c6ccccc6)cc3; COc1ccc(cc1OC)[C@H](Cc2c(C
    l)c[n](O)cc2Cl)OC(=O)c3sc(CN[C@@H](C(=O)
    O[C@H]4CN5CCC4CC5)c6ccccc6)cc3; COc1ccc(
    cc1OC)[C@H](CC2=C(C=[N](C=C2Cl)O)Cl)OC(=
    O)c3ccc(s3)CN[C@H](c4ccccc4)C(=O)O[C@H]5
    CN6CCC5CC6; COc1ccc(cc1OC)C(CC2=C(C=[N](
    C=C2Cl)O)Cl)OC(=O)c3ccc(s3)CNC(c4ccccc4)
    C(=O)OC5CN6CCC5CC6    		 [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate
    39841
    VLA    		 1 C20 H23 N7 O5 InChI=1S/C20H23N7O5/c21-1
    7-16-13(26-20(22)27-17)6-
    5-12(24-16)9-23-11-3-1-10
    (2-4-11)18(30)25-14(19(31
    )32)7-8-15(28)29/h1-4,14,
    23H,5-9H2,(H,25,30)(H,28,
    29)(H,31,32)(H4,21,22,26,
    27)/t14-/m0/s1;
    QECVBNUHIUCZFO-AWEZNQCLSA-N    		 C(=O)(c3ccc(NCC=2CCc1c(c(nc(N)n1)N)N=2)c
    c3)NC(CCC(O)=O)C(=O)O; c1cc(ccc1C(=O)NC(
    CCC(=O)O)C(=O)O)NCC2=Nc3c(nc(nc3N)N)CC2;
    Nc1nc(N)c2N=C(CCc2n1)CNc3ccc(cc3)C(=O)N
    [C@@H](CCC(O)=O)C(O)=O; c1cc(ccc1C(=O)N[
    C@@H](CCC(=O)O)C(=O)O)NCC2=Nc3c(nc(nc3N)
    N)CC2; Nc1nc(N)c2N=C(CCc2n1)CNc3ccc(cc3)
    C(=O)N[CH](CCC(O)=O)C(O)=O    		 N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid
    39842
    VLB
    CHEMBL159
    DB00570
    ZINC000085432544    		 14 C46 H58 N4 O9 InChI=1S/C46H58N4O9/c1-8-
    42(54)23-28-24-45(40(52)5
    7-6,36-30(15-19-49(25-28)
    26-42)29-13-10-11-14-33(2
    9)47-36)32-21-31-34(22-35
    (32)56-5)48(4)38-44(31)17
    -20-50-18-12-16-43(9-2,37
    (44)50)39(59-27(3)51)46(3
    8,55)41(53)58-7/h10-14,16
    ,21-22,28,37-39,47,54-55H
    ,8-9,15,17-20,23-26H2,1-7
    H3/t28-,37-,38+,39+,42-,4
    3+,44+,45-,46-/m0/s1;
    JXLYSJRDGCGARV-CFWMRBGOSA-N    		 CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34
    )[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H
    ]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9C
    C[C@]67[C@H]89)C(=O)OC)C1; O=C(OC)C4(c2c
    (c1ccccc1n2)CCN3CC(O)(CC)CC(C3)C4)c5c(OC
    )cc6c(c5)C89C(N6C)C(O)(C(=O)OC)C(OC(=O)C
    )C7(C=CCN(C78)CC9)CC; CCC1(CC2CC(c3c(c4c
    cccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C
    68CCN9C8C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C)
    CC)C)C(=O)OC)O; CC[C@@]1(C[C@H]2C[C@@](c
    3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc
    5OC)[N@@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@@
    ](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)
    CC)C)C(=O)OC)O; CC[C]1(O)C[CH]2CN(CCc3c(
    [nH]c4ccccc34)[C](C2)(C(=O)OC)c5cc6c(cc5
    OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)
    C=CCN9CC[C]67[CH]89)C(=O)OC)C1    		 (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE;
    VINBLASTINE
    39843
    VLC    		 3 C24 H28 N6 O3 InChI=1S/C24H28N6O3/c1-32
    -10-11-33-23-12-16(8-9-26
    -23)30-17-6-7-18(30)15-29
    (14-17)21-13-20(27-28-24(
    21)25)19-4-2-3-5-22(19)31
    /h2-5,8-9,12-13,17-18,31H
    ,6-7,10-11,14-15H2,1H3,(H
    2,25,28)/t17-,18+;
    VDJLADNPSHUUOZ-HDICACEKSA-N    		 COCCOc1cc(ccn1)N2C3CCC2CN(C3)c4cc(nnc4N)
    c5ccccc5O; COCCOc1cc(ccn1)N2[CH]3CC[CH]2
    CN(C3)c4cc(nnc4N)c5ccccc5O; COCCOc1cc(cc
    n1)N2[C@@H]3CC[C@H]2CN(C3)c4cc(nnc4N)c5c
    cccc5O    		 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
    39844
    VLD    		 1 C30 H38 N9 O13 P InChI=1S/C30H38N9O13P/c31
    -25-24-18(35-29(32)36-25)
    6-5-17(10-33-16-3-1-14(2-
    4-16)26(43)34-19(28(45)46
    )7-8-23(41)42)38(24)11-15
    -12-39(30(47)37-27(15)44)
    22-9-20(40)21(52-22)13-51
    -53(48,49)50/h1-4,12,17,1
    9-22,33,40H,5-11,13H2,(H,
    34,43)(H,41,42)(H,45,46)(
    H,37,44,47)(H2,48,49,50)(
    H4,31,32,35,36)/t17-,19+,
    20+,21-,22-/m1/s1;
    OYTZJQBUPHBEFY-WHCFWRGISA-N    		 Nc1nc(N)c2N(CC3=CN([C@H]4C[C@H](O)[C@@H]
    (CO[P](O)(O)=O)O4)C(=O)NC3=O)[C@H](CCc2n
    1)CNc5ccc(cc5)C(=O)N[C@@H](CCC(O)=O)C(O)
    =O; N4(C(=O)NC(C(CN2c3c(nc(nc3CCC2CNc1cc
    c(C(NC(CCC(=O)O)C(=O)O)=O)cc1)N)N)=C4)=O
    )C5CC(C(COP(=O)(O)O)O5)O; c1cc(ccc1C(=O)
    NC(CCC(=O)O)C(=O)O)NCC2CCc3c(c(nc(n3)N)N
    )N2CC4=CN(C(=O)NC4=O)C5CC(C(O5)COP(=O)(O
    )O)O; c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=
    O)O)NC[C@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C
    (=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)
    (O)O)O; Nc1nc(N)c2N(CC3=CN([CH]4C[CH](O)
    [CH](CO[P](O)(O)=O)O4)C(=O)NC3=O)[CH](CC
    c2n1)CNc5ccc(cc5)C(=O)N[CH](CCC(O)=O)C(O
    )=O    		 (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)
    39845
    VLE    		 2 C25 H25 Cl N6 O2 InChI=1S/C25H25ClN6O2/c1-
    3-20(33)31-7-8-32-15(12-3
    1)6-9-34-24-22-19(27-13-2
    8-25(22)32)10-16(23(24)26
    )21-14(2)4-5-18-17(21)11-
    29-30-18/h4-5,10-11,13,15
    H,3,6-9,12H2,1-2H3,(H,29,
    30)/t15-/m0/s1;
    NEZLXNUXFYWZNP-HNNXBMFYSA-N    		 CCC(=O)N1CCN2[C@@H](CCOc3c(Cl)c(cc4ncnc2
    c34)c5c(C)ccc6n[nH]cc56)C1; CCC(=O)N1CCN
    2c3c4c(cc(c(c4OCCC2C1)Cl)c5c(ccc6c5c[nH]
    n6)C)ncn3; CCC(=O)N1CCN2[CH](CCOc3c(Cl)c
    (cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1; CCC
    (=O)N1CCN2c3c4c(cc(c(c4OCC[C@H]2C1)Cl)c5
    c(ccc6c5c[nH]n6)C)ncn3    		 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one
    39846
    VLF    		 2 C17 H19 N O4 S InChI=1S/C17H19NO4S/c1-13
    -7-9-15(10-8-13)23(21,22)
    18-16(17(20)12-19)11-14-5
    -3-2-4-6-14/h2-10,16,18-1
    9H,11-12H2,1H3/t16-/m0/s1;
    ANXKZQCDTVNETG-INIZCTEOSA-N    		 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(
    =O)CO; Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)
    C(=O)CO; Cc1ccc(cc1)[S](=O)(=O)N[C@@H](C
    c2ccccc2)C(=O)CO; Cc1ccc(cc1)[S](=O)(=O)
    N[CH](Cc2ccccc2)C(=O)CO    		 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide
    39847
    VLG
    CHEMBL4588996
    ZINC000002574067    		 1 C14 H12 O3 InChI=1S/C14H12O3/c1-17-1
    3-4-2-3-12(9-13)10-5-7-11
    (8-6-10)14(15)16/h2-9H,1H
    3,(H,15,16);
    OAMJQKDGQYAQKD-UHFFFAOYSA-N    		 COc1cccc(c1)c2ccc(cc2)C(O)=O; COc1cccc(c
    1)c2ccc(cc2)C(=O)O    		 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid;
    4-(3'-methoxyphenyl)benzoic acid
    39848
    VLH    		 4 C57 H69 N11 O8 S InChI=1S/C57H69N11O8S/c1-
    33(2)53(57(72)67-31-41(69
    )24-48(67)56(71)61-34(3)3
    6-9-11-37(12-10-36)54-35(
    4)60-32-77-54)50-28-52(64
    -76-50)73-22-21-65-19-16-
    42(17-20-65)74-43-25-44(2
    6-43)75-51-23-38(15-18-59
    -51)68-39-13-14-40(68)30-
    66(29-39)47-27-46(62-63-5
    5(47)58)45-7-5-6-8-49(45)
    70/h5-12,15,18,23,27-28,3
    2-34,39-44,48,53,69-70H,1
    3-14,16-17,19-22,24-26,29
    -31H2,1-4H3,(H2,58,63)(H,
    61,71)/t34-,39?,40?,41+,4
    3-,44-,48+,53+/m0/s1;
    MOMWKZXTQZEWBK-QRYPXUBRSA-N    		 CC(C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)
    N[C@@H](C)c2ccc(cc2)c3scnc3C)c4onc(OCCN5
    CC[C@H](CC5)O[C@@H]6C[C@H](C6)Oc7cc(ccn7
    )N8[C@@H]9CC[C@H]8CN(C9)c%10cc(nnc%10N)c
    %11ccccc%11O)c4; Cc1c(scn1)c2ccc(cc2)[C@
    H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](
    c4cc(no4)OCCN5CCC(CC5)OC6CC(C6)Oc7cc(ccn
    7)N8[C@@H]9CC[C@H]8CN(C9)c1cc(nnc1N)c1cc
    ccc1O)C(C)C)O; Cc1c(scn1)c2ccc(cc2)C(C)N
    C(=O)C3CC(CN3C(=O)C(c4cc(no4)OCCN5CCC(CC
    5)OC6CC(C6)Oc7cc(ccn7)N8C9CCC8CN(C9)c1cc
    (nnc1N)c1ccccc1O)C(C)C)O; CC(C)[CH](C(=O
    )N1C[CH](O)C[CH]1C(=O)N[CH](C)c2ccc(cc2)
    c3scnc3C)c4onc(OCCN5CC[CH](CC5)O[CH]6C[C
    H](C6)Oc7cc(ccn7)N8[CH]9CC[CH]8CN(C9)c%1
    0cc(nnc%10N)c%11ccccc%11O)c4    		 (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide
    39849
    VLI
    ZINC000002052714    		 2 C10 H8 F3 N O2 InChI=1S/C10H8F3NO2/c1-5-
    2-3-6-7(4-5)14-8(15)9(6,1
    6)10(11,12)13/h2-4,16H,1H
    3,(H,14,15)/t9-/m0/s1;
    FIEVIPASBRMCMZ-VIFPVBQESA-N    		 Cc1ccc2c(NC(=O)[C]2(O)C(F)(F)F)c1; Cc1cc
    c2c(c1)NC(=O)[C@@]2(C(F)(F)F)O; Cc1ccc2c
    (NC(=O)[C@]2(O)C(F)(F)F)c1; Cc1ccc2c(c1)
    NC(=O)C2(C(F)(F)F)O; FC(F)(F)C1(O)c2ccc(
    C)cc2NC1=O    		 (3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
    39850
    VLK    		 1 C19 H35 N3 O4 S InChI=1S/C19H35N3O4S/c1-4
    -5-6-8-15(11-21(26)13-23)
    18(24)20-17(14(2)3)19(25)
    22-10-7-9-16(22)12-27/h13
    -17,26-27H,4-12H2,1-3H3,(
    H,20,24)/t15-,16?,17+/m1/
    s1;
    KKQZXQHPCTWHGR-SKQWJGTPSA-N    		 CCCCC[C@H](CN(C=O)O)C(=O)N[C@@H](C(C)C)C
    (=O)N1CCCC1CS; CCCCC[CH](CN(O)C=O)C(=O)N
    [CH](C(C)C)C(=O)N1CCCC1CS; CCCCC[C@H](CN
    (O)C=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1CS
    ; CCCCCC(CN(C=O)O)C(=O)NC(C(C)C)C(=O)N1C
    CCC1CS    		 (2R)-2-[[methanoyl(oxidanyl)amino]methyl]-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide
    39851
    VLL
    DB04804
    ZINC000095483610    		 0 C4 H10 N2 O2 InChI=1S/C4H10N2O2/c1-2(5
    )3(6)4(7)8/h2-3H,5-6H2,1H
    3,(H,7,8)/t2-,3+/m1/s1;
    SXGMVGOVILIERA-GBXIJSLDSA-N    		 C[C@@H](N)[C@H](N)C(O)=O; CC(C(C(=O)O)N)
    N; C[C@H]([C@@H](C(=O)O)N)N; C[CH](N)[CH
    ](N)C(O)=O; O=C(O)C(N)C(N)C    		 (2S)-2,3-DIAMINOBUTANOIC ACID;
    L-THREO-2,3-DIAMINO-BUTYRIC ACID
    39852
    VLM
    CHEMBL1229079
    ZINC000000399376    		 0 C5 H12 N2 O InChI=1S/C5H12N2O/c1-3(2)
    4(6)5(7)8/h3-4H,6H2,1-2H3
    ,(H2,7,8)/t4-/m0/s1;
    XDEHMKQLKPZERH-BYPYZUCNSA-N    		 CC(C)[C@H](N)C(N)=O; O=C(N)C(N)C(C)C; CC
    (C)C(C(=O)N)N; CC(C)[C@@H](C(=O)N)N; CC(
    C)[CH](N)C(N)=O    		 VALINYLAMINE
    39853
    VLN    		 4 C6 H14 N2 O3 InChI=1S/C6H14N2O3/c7-1-3
    -5(10)6(11)4(2-9)8-3/h3-6
    ,8-11H,1-2,7H2/t3-,4-,5-,
    6+/m1/s1;
    NJOZFAFEQVQFJI-KAZBKCHUSA-N    		 C(C1C(C(C(N1)CO)O)O)N; C([C@@H]1[C@H]([C
    @H]([C@H](N1)CO)O)O)N; NC[C@H]1N[C@H](CO
    )[C@H](O)[C@@H]1O; NC[CH]1N[CH](CO)[CH](
    O)[CH]1O    		 (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
    39854
    VLO    		 2 C20 H27 N9 O21 P4 InChI=1S/C20H27N9O21P4/c2
    1-20-26-15-9(17(34)27-20)
    25-5-29(15)19-13(11(31)7(
    47-19)2-45-53(40,41)50-54
    (42,43)49-51(35,36)37)48-
    52(38,39)44-1-6-10(30)12(
    32)18(46-6)28-4-24-8-14(2
    8)22-3-23-16(8)33/h3-7,10
    -13,18-19,30-32H,1-2H2,(H
    ,38,39)(H,40,41)(H,42,43)
    (H,22,23,33)(H2,35,36,37)
    (H3,21,26,27,34)/t6-,7-,1
    0-,11-,12-,13-,18-,19-/m1
    /s1;
    QIEFBLFMZQEZSF-INFSMZHSSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3
    O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5
    cnc6C(=O)NC=Nc56; c1nc2c(n1C3C(C(C(O3)CO
    P(=O)(O)OC4C(C(OC4n5cnc6c5N=C(NC6=O)N)CO
    P(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N=CNC2
    =O; c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O
    3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4
    n5cnc6c5N=C(NC6=O)N)COP(=O)(O)OP(=O)(O)O
    P(=O)(O)O)O)O)O)N=CNC2=O; NC1=Nc2n(cnc2C
    (=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O[P](O)(
    =O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc
    6C(=O)NC=Nc56    		 [[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    39855
    VLP
    CHEMBL1317070
    ZINC000008022579    		 1 C19 H38 O4 InChI=1S/C19H38O4/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-19(22)23-18(16-20)17
    -21/h18,20-21H,2-17H2,1H3;
    BBNYCLAREVXOSG-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCC(=O)OC(CO)CO; C(CCCCCCC(
    OC(CO)CO)=O)CCCCCCCC    		 1,3-dihydroxypropan-2-yl hexadecanoate
    39856
    VLQ
    CHEMBL3947458    		 1 C19 H16 Cl N O2 InChI=1S/C19H16ClNO2/c1-1
    1(2)18-17(19(22)23)16(12-
    6-4-3-5-7-12)14-10-13(20)
    8-9-15(14)21-18/h3-11H,1-
    2H3,(H,22,23);
    CDYJYWKBTLRTHP-UHFFFAOYSA-N    		 CC(C)c1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O;
    O=C(O)c1c(c2cc(Cl)ccc2nc1C(C)C)c1ccccc1
    ; CC(C)c1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=
    O)O    		 6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid
    39857
    VLR    		 0 C45 H55 N6 O7 S2 InChI=1S/C45H54N6O7S2/c1-
    50-20-17-33(35-27-32(13-1
    6-37(35)50)31-11-14-34(55
    -2)15-12-31)28-43-51(38-7
    -3-4-8-39(38)60-43)29-42(
    53)47-19-22-57-24-26-58-2
    5-23-56-21-18-46-41(52)10
    -6-5-9-40-44-36(30-59-40)
    48-45(54)49-44/h3-4,7-8,1
    1-17,20,27-28,36,40,44H,5
    -6,9-10,18-19,21-26,29-30
    H2,1-2H3,(H3-,46,47,48,49
    ,52,53,54)/p+1/t36-,40-,4
    4+/m1/s1;
    WHIFPTXUSZXQNM-FPNRCKICSA-O    		 COc1ccc(cc1)c2ccc3N(C)C=CC(=C/c4sc5ccccc
    5[n+]4CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]6
    SC[C@H]7NC(=O)N[C@H]67)\c3c2; CN1C=CC(=C
    c2[n+](c3ccccc3s2)CC(=O)NCCOCCOCCOCCNC(=
    O)CCCCC4C5C(CS4)NC(=O)N5)c6c1ccc(c6)c7cc
    c(cc7)OC; CN1C=CC(=Cc2[n+](c3ccccc3s2)CC
    (=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]4[C@@H]5
    [C@@H](CS4)NC(=O)N5)c6c1ccc(c6)c7ccc(cc7
    )OC; O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O
    )C[n+]3c4ccccc4sc3/C=C3\C=CN(C)c4ccc(cc4
    3)c3ccc(OC)cc3)SCC2N1; COc1ccc(cc1)c2ccc
    3N(C)C=CC(=Cc4sc5ccccc5[n+]4CC(=O)NCCOCC
    OCCOCCNC(=O)CCCC[CH]6SC[CH]7NC(=O)N[CH]6
    7)c3c2    		 3-{2,16-dioxo-20-[(3aS,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
    39858
    VLS
    ZINC000001587260    		 4 C6 H13 N O5 InChI=1S/C6H13NO5/c8-2-6(
    3-9,4-10)7-1-5(11)12/h7-1
    0H,1-4H2,(H,11,12);
    SEQKRHFRPICQDD-UHFFFAOYSA-N    		 C(C(=O)O)NC(CO)(CO)CO; C(CNC(CO)(CO)CO)(
    O)=O; OCC(CO)(CO)NCC(O)=O    		 N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine
    39859
    VLT
    ZINC000098209529    		 0 C11 H13 N O3 InChI=1S/C11H13NO3/c12-9(
    3-6-11(14)15)7-8-1-4-10(1
    3)5-2-8/h1-6,9,13H,7,12H2
    ,(H,14,15)/b6-3+/t9-/m1/s
    1;
    ZAFPASBXHDOXMD-BSPAPZMXSA-N    		 N[CH](Cc1ccc(O)cc1)C=CC(O)=O; c1cc(ccc1C
    C(C=CC(=O)O)N)O; N[C@@H](Cc1ccc(O)cc1)\C
    =C\C(O)=O; O=C(O)\C=C\C(N)Cc1ccc(O)cc1;
    c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O    		 (2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
    39860
    VLU    		 2 C24 H36 Cl N3 O8 S2 InChI=1S/C24H36ClN3O8S2/c
    1-14(2)10-18(28-23(32)36-
    13-24(3,4)37-17-7-5-6-16(
    25)12-17)21(30)27-19(22(3
    1)38(33,34)35)11-15-8-9-2
    6-20(15)29/h5-7,12,14-15,
    18-19,22,31H,8-11,13H2,1-
    4H3,(H,26,29)(H,27,30)(H,
    28,32)(H,33,34,35)/t15-,1
    8-,19-,22+/m0/s1;
    MOYGJNHMYWCTOO-SXTKRDDTSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OCC(C)(C)Sc2cccc(c2)Cl; CC(C)C[C
    @H](NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)N[
    C@@H](C[C@@H]2CCNC2=O)[C@H](O)[S](O)(=O)
    =O; CC(C)C[CH](NC(=O)OCC(C)(C)Sc1cccc(Cl
    )c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](
    O)(=O)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@
    @H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC
    (C)(C)Sc2cccc(c2)Cl; CC(C)CC(NC(=O)OCC(C
    )(C)Sc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O
    )S(=O)(=O)O    		 (1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    39861
    VLV
    CHEMBL2069328
    ZINC000043169747    		 1 C20 H26 N4 O3 S InChI=1S/C20H26N4O3S/c1-1
    2-17(15-8-6-14(7-9-15)13(
    2)25)28-19(22-12)23-18(27
    )21-11-10-16(26)24-20(3,4
    )5/h6-9H,10-11H2,1-5H3,(H
    ,24,26)(H2,21,22,23,27);
    IUPXLLWDLOWEBR-UHFFFAOYSA-N    		 C(=O)(CCNC(Nc2nc(C)c(c1ccc(cc1)C(C)=O)s2
    )=O)NC(C)(C)C; Cc1c(sc(n1)NC(=O)NCCC(=O)
    NC(C)(C)C)c2ccc(cc2)C(=O)C; CC(=O)c1ccc(
    cc1)c2sc(NC(=O)NCCC(=O)NC(C)(C)C)nc2C    		 N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide
    39862
    VLW    		 1 C26 H30 N4 O InChI=1S/C26H30N4O/c1-28-
    13-15-29(16-14-28)21-5-8-
    23-19(17-21)18-24(30-12-1
    1-27-25(23)30)26(9-10-26)
    20-3-6-22(31-2)7-4-20/h3-
    8,17-18H,9-16H2,1-2H3;
    PAHRGUYMKQCNRV-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc3c(c2)C=C(N4C3=NCC4)C5(C
    C5)c6ccc(cc6)OC; COc1ccc(cc1)C2(CC2)C3=C
    c4cc(ccc4C5=NCCN35)N6CCN(C)CC6    		 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
    39863
    VLX    		 3 C11 H20 N2 O2 InChI=1S/C11H20N2O2/c1-3-
    5-8-6-10(14)13(7-8)9(4-2)
    11(12)15/h8-9H,3-7H2,1-2H
    3,(H2,12,15)/t8-,9+/m1/s1;
    MSYKRHVOOPPJKU-BDAKNGLRSA-N    		 CCC[CH]1CN([CH](CC)C(N)=O)C(=O)C1; CCC[C
    @@H]1CC(=O)N(C1)[C@@H](CC)C(=O)N; CCC[C@
    H]1CN([C@@H](CC)C(N)=O)C(=O)C1; CCCC1CC(
    =O)N(C1)C(CC)C(=O)N    		 (2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide
    39864
    VLY
    CHEMBL4876602    		 1 C20 H18 N4 O S InChI=1S/C20H18N4OS/c1-14
    (15-9-5-3-6-10-15)26-20-2
    2-18-17(13-21-23(18)2)19(
    25)24(20)16-11-7-4-8-12-1
    6/h3-14H,1-2H3/t14-/m1/s1;
    JNPNRKXZLIGUCT-CQSZACIVSA-N    		 C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4
    ccccc4; C[C@@H](SC1=Nc2n(C)ncc2C(=O)N1c3
    ccccc3)c4ccccc4; CC(c1ccccc1)SC2=Nc3c(cn
    n3C)C(=O)N2c4ccccc4; C2(=O)N(c1ccccc1)C(
    =Nc3c2cnn3C)SC(C)c4ccccc4; C[CH](SC1=Nc2
    n(C)ncc2C(=O)N1c3ccccc3)c4ccccc4    		 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    39865
    VLZ
    ZINC000085576165    		 1 C15 H30 O4 InChI=1S/C15H30O4/c1-2-3-
    4-5-6-7-8-9-10-11-15(18)1
    9-14(12-16)13-17/h14,16-1
    7H,2-13H2,1H3;
    ZUCMOZYYSZYRRM-UHFFFAOYSA-N    		 CCCCCCCCCCCC(=O)OC(CO)CO; O(C(CO)CO)C(=O
    )CCCCCCCCCCC    		 1,3-dihydroxypropan-2-yl dodecanoate;
    2-lauroylglycerol
    39866
    VM0    		 2 C24 H36 Cl N3 O8 S2 InChI=1S/C24H36ClN3O8S2/c
    1-14(2)10-18(28-23(32)36-
    13-24(3,4)37-17-7-5-6-16(
    25)12-17)21(30)27-19(22(3
    1)38(33,34)35)11-15-8-9-2
    6-20(15)29/h5-7,12,14-15,
    18-19,22,31H,8-11,13H2,1-
    4H3,(H,26,29)(H,27,30)(H,
    28,32)(H,33,34,35)/t15-,1
    8-,19-,22-/m0/s1;
    MOYGJNHMYWCTOO-BCSOYYNPSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OCC(C)(C)Sc2cccc(c2)Cl; CC(C)C[C
    @@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H]
    (O)S(=O)(=O)O)NC(=O)OCC(C)(C)Sc2cccc(c2)
    Cl; CC(C)C[CH](NC(=O)OCC(C)(C)Sc1cccc(Cl
    )c1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](
    O)(=O)=O; CC(C)C[C@H](NC(=O)OCC(C)(C)Sc1
    cccc(Cl)c1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)
    [C@@H](O)[S](O)(=O)=O; CC(C)CC(NC(=O)OCC
    (C)(C)Sc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C
    (O)S(=O)(=O)O    		 (1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    39867
    VM1
    ZINC000000158696    		 2 C10 H7 N O2 S InChI=1S/C10H7NO2S/c12-10
    (13)8-4-7(5-11-6-8)9-2-1-
    3-14-9/h1-6H,(H,12,13);
    DFWKRZGYBOVSKW-UHFFFAOYSA-N    		 c1cc(sc1)c2cc(cnc2)C(=O)O; O=C(O)c2cncc(
    c1sccc1)c2; OC(=O)c1cncc(c1)c2sccc2    		 5-(2-thienyl)nicotinic acid;
    5-thiophen-2-ylpyridine-3-carboxylic acid;
    5-(thien-2-yl)nicotinic acid
    39868
    VM2
    ZINC000095920860    		 2 C13 H25 N O4 InChI=1S/C13H25NO4/c15-7-
    9-10(12(17)13(18)11(9)16)
    14-6-8-4-2-1-3-5-8/h8-18H
    ,1-7H2/t9-,10+,11+,12-,13
    -/m0/s1;
    PETSRUBXPDOLKZ-QWQWKMKNSA-N    		 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H
    ]1NCC2CCCCC2; C1CCC(CC1)CNC2C(C(C(C2O)O)
    O)CO; C1CCC(CC1)CN[C@@H]2[C@@H]([C@H]([C
    @@H]([C@H]2O)O)O)CO; OC[CH]1[CH](O)[CH](
    O)[CH](O)[CH]1NCC2CCCCC2; OC2C(NCC1CCCCC
    1)C(C(O)C2O)CO    		 (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
    39869
    VM3    		 2 C20 H15 Cl N2 InChI=1S/C20H15ClN2/c21-1
    6-7-5-15(6-8-16)20(9-10-2
    0)18-13-14-3-1-2-4-17(14)
    19-22-11-12-23(18)19/h1-8
    ,11-13H,9-10H2;
    ASWUWXCCIBIVFW-UHFFFAOYSA-N    		 c1ccc2c(c1)cc(n3c2ncc3)C4(CC4)c5ccc(cc5)
    Cl; Clc1ccc(cc1)C2(CC2)c3cc4ccccc4c5nccn
    35    		 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline
    39870
    VM4    		 1 C20 H18 N4 O2 S InChI=1S/C20H18N4O2S/c1-1
    3(14-7-6-10-16(25)11-14)2
    7-20-22-18-17(12-21-23(18
    )2)19(26)24(20)15-8-4-3-5
    -9-15/h3-13,25H,1-2H3/t13
    -/m1/s1;
    RTSMRTUJWIBZAN-CYBMUJFWSA-N    		 C[C@H](c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N
    2c4ccccc4; C[CH](SC1=Nc2n(C)ncc2C(=O)N1c
    3ccccc3)c4cccc(O)c4; O=C2N(c1ccccc1)C(=N
    c3c2cnn3C)SC(C)c4cc(ccc4)O; CC(c1cccc(c1
    )O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4; C[C@@
    H](SC1=Nc2n(C)ncc2C(=O)N1c3ccccc3)c4cccc
    (O)c4    		 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    39871
    VM5
    CHEMBL4438269
    ZINC000043172139    		 1 C21 H13 Br Cl2 F N3 O4 S InChI=1S/C21H13BrCl2FN3O4
    S/c22-16-3-1-12(20(25)21(
    16)32-14-6-11(10-26)5-13(
    23)8-14)7-19(29)28-18-4-2
    -15(9-17(18)24)33(27,30)3
    1/h1-6,8-9H,7H2,(H,28,29)
    (H2,27,30,31);
    SBUUICLVCQQMFP-UHFFFAOYSA-N    		 c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)Cc2ccc(c(c
    2F)Oc3cc(cc(c3)Cl)C#N)Br; N[S](=O)(=O)c1
    ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(c3)C#N
    )c2F)c(Cl)c1; Brc1ccc(CC(=O)Nc2ccc(cc2Cl
    )S(N)(=O)=O)c(F)c1Oc1cc(C#N)cc(Cl)c1    		 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
    39872
    VM6    		 0 C31 H41 N2 O5 P InChI=1S/C31H41N2O5P/c1-3
    0(2)24-14-8-10-16-26(24)3
    2(20-12-22-34)28(30)18-6-
    5-7-19-29-31(3,4)25-15-9-
    11-17-27(25)33(29)21-13-2
    3-38-39(35,36)37/h5-6,8-1
    1,14-19,34H,7,12-13,20-23
    H2,1-4H3,(H2,35,36,37)/b6
    -5-,28-18+,29-19+;
    JZJHOUUCIMFVDB-LBWZNSRUSA-N    		 CC1(c2ccccc2N(C1=CCC=CC=C3C(c4ccccc4N3CC
    CO)(C)C)CCCOP(=O)(O)O)C; CC1(C)C(=CCC=CC
    =C2N(CCCO)c3ccccc3C2(C)C)N(CCCO[P](O)(O)
    =O)c4ccccc14; CC1(C)c2ccccc2N(CCCO)\C1=C
    \C=C/C\C=C1\N(CCCOP(=O)(O)O)c2ccccc2C1(C
    )C; CC\1(c2ccccc2N(/C1=C/C/C=C\C=C\3/C(c
    4ccccc4N3CCCO)(C)C)CCCOP(=O)(O)O)C; CC1(
    C)/C(=C\C\C=C/C=C2/N(CCCO)c3ccccc3C2(C)C
    )N(CCCO[P](O)(O)=O)c4ccccc14    		 3-[(2E)-2-{(3Z,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]pent-3-en-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]propyl dihydrogen phosphite
    39873
    VM7
    CHEMBL4159633
    ZINC000065336921    		 2 C14 H12 O4 S InChI=1S/C14H12O4S/c1-19(
    17,18)13-7-3-5-11(9-13)10
    -4-2-6-12(8-10)14(15)16/h
    2-9H,1H3,(H,15,16);
    CRFKLEDBWMGUED-UHFFFAOYSA-N    		 CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O; C[
    S](=O)(=O)c1cccc(c1)c2cccc(c2)C(O)=O    		 3-(3-methylsulfonylphenyl)benzoic acid
    39874
    VM8    		 2 C21 H20 N2 InChI=1S/C21H20N2/c1-21(2
    ,15-16-8-4-3-5-9-16)19-14
    -17-10-6-7-11-18(17)20-22
    -12-13-23(19)20/h3-14H,15
    H2,1-2H3;
    XLRFROIINIWWJO-UHFFFAOYSA-N    		 CC(C)(Cc1ccccc1)c2cc3ccccc3c4n2ccn4; CC(
    C)(Cc1ccccc1)c2cc3ccccc3c4nccn24    		 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline
    39875
    VM9    		 2 C29 H31 Cl F5 N7 O InChI=1S/C29H31ClF5N7O/c1
    -14-7-20(36)38-25(22(14)2
    9(33,34)35)21-19(30)8-18-
    24(23(21)32)39-27(40-26(1
    8)41-11-16-3-4-17(12-41)3
    7-16)43-13-28-5-2-6-42(28
    )10-15(31)9-28/h7-8,15-17
    ,37H,2-6,9-13H2,1H3,(H2,3
    6,38)/t15-,16-,17+,28+/m1
    /s1;
    YODMLRHFGATDGU-SBYGXYMLSA-N    		 Cc1cc(nc(c1C(F)(F)F)c2c(cc3c(c2F)nc(nc3N
    4C[C@H]5CC[C@@H](C4)N5)OC[C@@]67CCCN6C[C
    @@H](C7)F)Cl)N; Cc1cc(N)nc(c2c(Cl)cc3c(n
    c(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N6C[C
    @@H]7CC[C@H](C6)N7)c1C(F)(F)F; Cc1cc(N)n
    c(c2c(Cl)cc3c(nc(OC[C]45CCCN4C[CH](F)C5)
    nc3c2F)N6C[CH]7CC[CH](C6)N7)c1C(F)(F)F;
    Cc1cc(nc(c1C(F)(F)F)c2c(cc3c(c2F)nc(nc3N
    4CC5CCC(C4)N5)OCC67CCCN6CC(C7)F)Cl)N; FC
    1CC2(CCCN2C1)COc1nc2c(F)c(c3nc(N)cc(C)c3
    C(F)(F)F)c(Cl)cc2c(n1)N1CC2CCC(N2)C1    		 (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
    39876
    VMA    		 1 C19 H17 N5 O S InChI=1S/C19H17N5OS/c1-13
    (16-10-6-7-11-20-16)26-19
    -22-17-15(12-21-23(17)2)1
    8(25)24(19)14-8-4-3-5-9-1
    4/h3-13H,1-2H3/t13-/m1/s1;
    DFGGDGDTSVXBMC-CYBMUJFWSA-N    		 c12c(cnn1C)C(=O)N(C(=N2)SC(C)c3ccccn3)c4
    ccccc4; C[C@H](c1ccccn1)SC2=Nc3c(cnn3C)C
    (=O)N2c4ccccc4; CC(c1ccccn1)SC2=Nc3c(cnn
    3C)C(=O)N2c4ccccc4; C[CH](SC1=Nc2n(C)ncc
    2C(=O)N1c3ccccc3)c4ccccn4; C[C@@H](SC1=N
    c2n(C)ncc2C(=O)N1c3ccccc3)c4ccccn4    		 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    39877
    VMB    		 2 C25 H20 F6 N2 O2 InChI=1S/C25H20F6N2O2/c1-
    33(2)23(35)21(16-6-5-7-18
    (14-16)25(29,30)31)32-22(
    34)20-9-4-3-8-19(20)15-10
    -12-17(13-11-15)24(26,27)
    28/h3-14,21H,1-2H3,(H,32,
    34)/t21-/m0/s1;
    XHKLRVAMXWYKMX-NRFANRHFSA-N    		 CN(C)C(=O)[C@@H](NC(=O)c1ccccc1c2ccc(cc2
    )C(F)(F)F)c3cccc(c3)C(F)(F)F; CN(C)C(=O)
    C(c1cccc(c1)C(F)(F)F)NC(=O)c2ccccc2c3ccc
    (cc3)C(F)(F)F; CN(C)C(=O)[CH](NC(=O)c1cc
    ccc1c2ccc(cc2)C(F)(F)F)c3cccc(c3)C(F)(F)
    F; CN(C)C(=O)[C@H](c1cccc(c1)C(F)(F)F)NC
    (=O)c2ccccc2c3ccc(cc3)C(F)(F)F; O=C(NC(c
    1cccc(c1)C(F)(F)F)C(=O)N(C)C)c1ccccc1c1c
    cc(cc1)C(F)(F)F    		 N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide
    39878
    VMC
    ZINC000065536492    		 3 C23 H27 N3 O2 InChI=1S/C23H27N3O2/c1-25
    -13-6-9-19(25)12-14-26-16
    -24-22(17-7-4-3-5-8-17)23
    (26)18-10-11-20(27)21(15-
    18)28-2/h3-5,7-8,10-11,15
    -16,19,27H,6,9,12-14H2,1-
    2H3/t19-/m0/s1;
    YGPHAIXUDLLWHC-IBGZPJMESA-N    		 CN1CCC[C@H]1CCn2cnc(c2c3ccc(c(c3)OC)O)c4
    ccccc4; COc1cc(ccc1O)c2n(CC[C@@H]3CCCN3C
    )cnc2c4ccccc4; COc1cc(ccc1O)c2n(CC[CH]3C
    CCN3C)cnc2c4ccccc4; CN1CCCC1CCn2cnc(c2c3
    ccc(c(c3)OC)O)c4ccccc4; Oc1c(OC)cc(cc1)c
    2n(cnc2c3ccccc3)CCC4N(CCC4)C    		 2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol
    39879
    VMD    		 2 C20 H32 N6 O5 S InChI=1S/C20H32N6O5S/c1-1
    4-19(31-20(2,3)30-14)18(2
    7)12-22-9-4-10-26-13-16(2
    4-25-26)11-23-15-5-7-17(8
    -6-15)32(21,28)29/h5-8,13
    -14,18-19,22-23,27H,4,9-1
    2H2,1-3H3,(H2,21,28,29)/t
    14-,18-,19-/m1/s1;
    FIIMEVMRINWZGW-NIKGAXFTSA-N    		 CC1C(OC(O1)(C)C)C(CNCCCn2cc(nn2)CNc3ccc(
    cc3)S(=O)(=O)N)O; C[C@H]1OC(C)(C)O[C@H]1
    [C@H](O)CNCCCn2cc(CNc3ccc(cc3)[S](N)(=O)
    =O)nn2; C[CH]1OC(C)(C)O[CH]1[CH](O)CNCCC
    n2cc(CNc3ccc(cc3)[S](N)(=O)=O)nn2; C[C@@
    H]1[C@@H](OC(O1)(C)C)[C@@H](CNCCCn2cc(nn
    2)CNc3ccc(cc3)S(=O)(=O)N)O    		 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide
    39880
    VME
    CHEMBL1209949
    ZINC000054954741    		 0 C6 H13 N O2 InChI=1S/C6H13NO2/c1-4(2)
    5(7)6(8)9-3/h4-5H,7H2,1-3
    H3/t5-/m0/s1;
    CEMZBWPSKYISTN-YFKPBYRVSA-N    		 CC(C)[C@@H](C(=O)OC)N; COC(=O)[CH](N)C(C
    )C; O=C(OC)C(N)C(C)C; COC(=O)[C@@H](N)C(
    C)C; CC(C)C(C(=O)OC)N    		 METHYL L-VALINATE;
    O-METHYLVALINE
    39881
    VMF    		 4 C6 H13 N O4 InChI=1S/C6H13NO4/c8-1-3-
    5(10)6(11)4(2-9)7-3/h3-11
    H,1-2H2/t3-,4-,5-,6+/m1/s
    1;
    PFYHYHZGDNWFIF-KAZBKCHUSA-N    		 OC[C@H]1N[C@H](CO)[C@@H](O)[C@H]1O; C(C1
    C(C(C(N1)CO)O)O)O; C([C@@H]1[C@H]([C@H](
    [C@H](N1)CO)O)O)O; OC[CH]1N[CH](CO)[CH](
    O)[CH]1O    		 (2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
    39882
    VMG    		 1 C22 H22 N4 O2 S InChI=1S/C22H22N4O2S/c1-1
    5(17-6-4-3-5-7-17)29-22-2
    4-20-19(14-23-25(20)2)21(
    28)26(22)18-10-8-16(9-11-
    18)12-13-27/h3-11,14-15,2
    7H,12-13H2,1-2H3/t15-/m1/
    s1;
    ZYDLSTYFDFDODX-OAHLLOKOSA-N    		 C[CH](SC1=Nc2n(C)ncc2C(=O)N1c3ccc(CCO)cc
    3)c4ccccc4; C[C@H](c1ccccc1)SC2=Nc3c(cnn
    3C)C(=O)N2c4ccc(cc4)CCO; O=C2c1cnn(c1N=C
    (N2c3ccc(CCO)cc3)SC(C)c4ccccc4)C; CC(c1c
    cccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CC
    O; C[C@@H](SC1=Nc2n(C)ncc2C(=O)N1c3ccc(C
    CO)cc3)c4ccccc4    		 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    39883
    VMH    		 2 C29 H24 F6 N4 O2 InChI=1S/C29H24F6N4O2/c1-
    38(2)27(41)25(19-5-4-6-21
    (15-19)29(33,34)35)37-26(
    40)23-16-18(24-13-14-36-3
    9(24)3)9-12-22(23)17-7-10
    -20(11-8-17)28(30,31)32/h
    4-16,25H,1-3H3,(H,37,40)/
    t25-/m0/s1;
    KNKLXKBJJSPVFJ-VWLOTQADSA-N    		 Cn1c(ccn1)c2ccc(c(c2)C(=O)NC(c3cccc(c3)C
    (F)(F)F)C(=O)N(C)C)c4ccc(cc4)C(F)(F)F; C
    N(C)C(=O)[CH](NC(=O)c1cc(ccc1c2ccc(cc2)C
    (F)(F)F)c3ccnn3C)c4cccc(c4)C(F)(F)F; CN(
    C)C(=O)[C@@H](NC(=O)c1cc(ccc1c2ccc(cc2)C
    (F)(F)F)c3ccnn3C)c4cccc(c4)C(F)(F)F; Cn1
    nccc1c1cc(C(=O)NC(c2cccc(c2)C(F)(F)F)C(=
    O)N(C)C)c(cc1)c1ccc(cc1)C(F)(F)F; Cn1c(c
    cn1)c2ccc(c(c2)C(=O)N[C@@H](c3cccc(c3)C(
    F)(F)F)C(=O)N(C)C)c4ccc(cc4)C(F)(F)F    		 (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide
    39884
    VMI    		 2 C18 H32 N4 O11 P3 S InChI=1S/C18H31N4O11P3S/c
    1-5-6-8-31-34(24,25)18(4,
    23)17-22(11-14-10-20-13(3
    )21-16(14)19)12(2)15(37-1
    7)7-9-32-36(29,30)33-35(2
    6,27)28/h10,23H,5-9,11H2,
    1-4H3,(H5-,19,20,21,24,25
    ,26,27,28,29,30)/p+1/t18-
    /m0/s1;
    KQPODQFTFSEDTF-SFHVURJKSA-O    		 CCCCO[P](O)(=O)[C](C)(O)c1sc(CCO[P](O)(=
    O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N; C
    CCCO[P](O)(=O)[C@](C)(O)c1sc(CCO[P](O)(=
    O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N; C
    CCCOP(=O)(C(C)(c1[n+](c(c(s1)CCOP(=O)(O)
    OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O; CCCCOP(=
    O)([C@@](C)(c1[n+](c(c(s1)CCOP(=O)(O)OP(
    =O)(O)O)C)Cc2cnc(nc2N)C)O)O    		 [(S)-1-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1-oxidanyl-ethyl]-butoxy-phosphinic acid
    39885
    VMJ    		 1 C21 H20 N4 O2 S InChI=1S/C21H20N4O2S/c1-1
    4(16-6-4-3-5-7-16)28-21-2
    3-19-18(12-22-24(19)2)20(
    27)25(21)17-10-8-15(13-26
    )9-11-17/h3-12,14,26H,13H
    2,1-2H3/t14-/m1/s1;
    CXENUIKHQIZUDG-CQSZACIVSA-N    		 C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4
    ccc(cc4)CO; C[CH](SC1=Nc2n(C)ncc2C(=O)N1
    c3ccc(CO)cc3)c4ccccc4; CC(c1ccccc1)SC2=N
    c3c(cnn3C)C(=O)N2c4ccc(cc4)CO; C[C@@H](S
    C1=Nc2n(C)ncc2C(=O)N1c3ccc(CO)cc3)c4cccc
    c4; O=C2N(c1ccc(cc1)CO)C(=Nc3c2cnn3C)SC(
    C)c4ccccc4    		 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    39886
    VMK
    CHEMBL4301324    		 1 C14 H14 F N InChI=1S/C14H14FN/c15-14-
    3-1-2-13(10-14)12-6-4-11(
    5-7-12)8-9-16/h1-7,10H,8-
    9,16H2;
    QQIZQBKKQAFAJV-UHFFFAOYSA-N    		 NCCc1ccc(cc1)c2cccc(F)c2; c1cc(cc(c1)F)c
    2ccc(cc2)CCN    		 2-[4-(3-fluorophenyl)phenyl]ethanamine
    39887
    VML    		 2 C24 H19 F6 N3 O2 InChI=1S/C24H19F6N3O2/c1-
    33(2)22(35)20(15-4-3-5-17
    (12-15)24(28,29)30)32-21(
    34)19-13-31-11-10-18(19)1
    4-6-8-16(9-7-14)23(25,26)
    27/h3-13,20H,1-2H3,(H,32,
    34)/t20-/m0/s1;
    ZMELGOOSPVFBKG-FQEVSTJZSA-N    		 CN(C)C(=O)[C@H](c1cccc(c1)C(F)(F)F)NC(=O
    )c2cnccc2c3ccc(cc3)C(F)(F)F; CN(C)C(=O)[
    CH](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3c
    ccc(c3)C(F)(F)F; CN(C)C(=O)C(c1cccc(c1)C
    (F)(F)F)NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F
    ; CN(C)C(=O)[C@@H](NC(=O)c1cnccc1c2ccc(c
    c2)C(F)(F)F)c3cccc(c3)C(F)(F)F; O=C(NC(c
    1cccc(c1)C(F)(F)F)C(=O)N(C)C)c1cnccc1c1c
    cc(cc1)C(F)(F)F    		 N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
    39888
    VMM    		 1 C10 H16 N6 O7 S InChI=1S/C10H16N6O7S/c1-1
    1-9(13-19)8-7-5(3-12-15(7
    )2)6(4-16(8)10(17)18)14-2
    3-24(20,21)22/h3,6,8,14,1
    9H,4H2,1-2H3,(H,11,13)(H,
    17,18)(H,20,21,22)/t6-,8-
    /m0/s1;
    TVYRNFNEBLNAMJ-XPUUQOCRSA-N    		 CNC(=N/O)\[C@H]1N(C[C@H](NO[S](O)(=O)=O)
    c2cnn(C)c12)C(O)=O; CN/C(=N\O)/[C@@H]1c2
    c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O; CN
    C(=NO)[CH]1N(C[CH](NO[S](O)(=O)=O)c2cnn(
    C)c12)C(O)=O; c12cnn(C)c1C(C(\NC)=N\O)N(
    C(=O)O)CC2NOS(=O)(O)=O; CNC(=NO)C1c2c(cn
    n2C)C(CN1C(=O)O)NOS(=O)(=O)O    		 ETX0462 (Bound form);
    (4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
    39889
    VMN    		 1 C12 H10 Cl N O2 InChI=1S/C12H10ClNO2/c13-
    10-3-1-9(2-4-10)8-14-6-5-
    11(15)7-12(14)16/h1-7,15H
    ,8H2;
    BQQOYSQBBQLOAB-UHFFFAOYSA-N    		 OC1=CC(=O)N(Cc2ccc(Cl)cc2)C=C1; Clc1ccc(
    cc1)CN1C=CC(O)=CC1=O; c1cc(ccc1CN2C=CC(=
    CC2=O)O)Cl    		 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2(1H)-one
    39890
    VMO    		 2 C6 H13 N O3 InChI=1S/C6H13NO3/c1-7-2-
    5(9)6(10)4(7)3-8/h4-6,8-1
    0H,2-3H2,1H3/t4-,5-,6+/m1
    /s1;
    UBVOJPDDTVFNFJ-PBXRRBTRSA-N    		 CN1CC(C(C1CO)O)O; CN1C[C@H]([C@H]([C@H]1
    CO)O)O; CN1C[C@@H](O)[C@@H](O)[C@H]1CO;
    CN1C[CH](O)[CH](O)[CH]1CO    		 (2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
    39891
    VMP
    CHEMBL490001
    ZINC000045506153    		 2 C18 H20 N2 O7 InChI=1S/C18H20N2O7/c21-8
    -12-13(22)14(23)15(24)17(
    27-12)20-18(26)19-16(25)1
    1-6-5-9-3-1-2-4-10(9)7-11
    /h1-7,12-15,17,21-24H,8H2
    ,(H2,19,20,25,26)/t12-,13
    -,14+,15-,17-/m1/s1;
    CWTXJPICSREUOK-OWVAZHOYSA-N    		 OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3
    c2)[C@H](O)[C@@H](O)[C@@H]1O; O=C(NC1OC(
    C(O)C(O)C1O)CO)NC(=O)c3cc2ccccc2cc3; OC[
    CH]1O[CH](NC(=O)NC(=O)c2ccc3ccccc3c2)[CH
    ](O)[CH](O)[CH]1O; c1ccc2cc(ccc2c1)C(=O)
    NC(=O)NC3C(C(C(C(O3)CO)O)O)O; c1ccc2cc(c
    cc2c1)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@
    @H]([C@H](O3)CO)O)O)O    		 N-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide
    39892
    VMQ    		 2 C25 H18 F9 N3 O2 InChI=1S/C25H18F9N3O2/c1-
    37(2)22(39)20(14-9-16(24(
    29,30)31)11-17(10-14)25(3
    2,33)34)36-21(38)19-12-35
    -8-7-18(19)13-3-5-15(6-4-
    13)23(26,27)28/h3-12,20H,
    1-2H3,(H,36,38)/t20-/m0/s
    1;
    DCMIBXDFFZEPBX-FQEVSTJZSA-N    		 CN(C)C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F
    )NC(=O)c2cnccc2c3ccc(cc3)C(F)(F)F; CN(C)
    C(=O)[C@@H](NC(=O)c1cnccc1c2ccc(cc2)C(F)
    (F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F; CN(C)
    C(=O)[CH](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F
    )F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F; O=C(NC(
    c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N(C)C)
    c1cnccc1c1ccc(cc1)C(F)(F)F; CN(C)C(=O)[C
    @H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=O)c
    2cnccc2c3ccc(cc3)C(F)(F)F    		 N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
    39893
    VMR    		 1 C16 H15 Cl N2 O InChI=1S/C16H15ClN2O/c17-
    13-4-6-14(7-5-13)20-15-3-
    1-2-11(8-15)12-9-16(18)19
    -10-12/h1-8,12H,9-10H2,(H
    2,18,19)/t12-/m0/s1;
    YHXWMEXRFSXVKK-LBPRGKRZSA-N    		 Clc1ccc(Oc2cccc(c2)[C@@H]3CNC(=N)C3)cc1;
    c1cc(cc(c1)Oc2ccc(cc2)Cl)C3CC(=N)NC3; C
    lc1ccc(Oc2cccc(c2)[CH]3CNC(=N)C3)cc1; [H
    ]/N=C\1/C[C@@H](CN1)c2cccc(c2)Oc3ccc(cc3
    )Cl    		 (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine
    39894
    VMS
    CHEMBL1163084
    ZINC000016051621    		 1 C15 H23 N7 O7 S InChI=1S/C15H23N7O7S/c1-6
    (2)8(16)14(25)21-30(26,27
    )28-3-7-10(23)11(24)15(29
    -7)22-5-20-9-12(17)18-4-1
    9-13(9)22/h4-8,10-11,15,2
    3-24H,3,16H2,1-2H3,(H,21,
    25)(H2,17,18,19)/t7-,8+,1
    0-,11-,15-/m1/s1;
    TXCZGHBHNXNXMA-CYUGOOACSA-N    		 CC(C)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc
    3c2ncnc3N)O)O)N; O=C(NS(=O)(=O)OCC3OC(n2
    cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)C; CC(C)[
    C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H
    ]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N; CC(C)[
    C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([
    C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; CC(C)[
    CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH]
    (O)[CH]1O)n2cnc3c(N)ncnc23    		 5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINE
    39895
    VMT
    CHEMBL476516
    ZINC000000406936    		 3 C8 H10 Br N InChI=1S/C8H10BrN/c9-8-3-
    1-7(2-4-8)5-6-10/h1-4H,5-
    6,10H2;
    ZSZCXAOQVBEPME-UHFFFAOYSA-N    		 NCCc1ccc(Br)cc1; c1cc(ccc1CCN)Br 2-(4-bromophenyl)ethanamine;
    4-Bromophenethylamine
    39896
    VMV
    ZINC000040917430    		 1 C20 H25 N7 O5 InChI=1S/C20H25N7O5/c21-1
    7-16-13(26-20(22)27-17)6-
    5-12(24-16)9-23-11-3-1-10
    (2-4-11)18(30)25-14(19(31
    )32)7-8-15(28)29/h1-4,12,
    14,23-24H,5-9H2,(H,25,30)
    (H,28,29)(H,31,32)(H4,21,
    22,26,27)/t12-,14-/m0/s1;
    NJZPEYYRVZHUEO-JSGCOSHPSA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC
    [C@@H]2CCc3c(c(nc(n3)N)N)N2; Nc1nc(N)c2N
    [C@@H](CCc2n1)CNc3ccc(cc3)C(=O)N[C@@H](C
    CC(O)=O)C(O)=O; c1cc(ccc1C(=O)NC(CCC(=O)
    O)C(=O)O)NCC2CCc3c(c(nc(n3)N)N)N2; Nc1nc
    (N)c2N[CH](CCc2n1)CNc3ccc(cc3)C(=O)N[CH]
    (CCC(O)=O)C(O)=O; c2(N)nc3CCC(CNc1ccc(C(
    NC(C(O)=O)CCC(O)=O)=O)cc1)Nc3c(n2)N    		 N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid
    39897
    VMW    		 2 C25 H21 F6 N3 O2 InChI=1S/C25H21F6N3O2/c1-
    14-10-16(12-18(11-14)25(2
    9,30)31)21(23(36)34(2)3)3
    3-22(35)20-13-32-9-8-19(2
    0)15-4-6-17(7-5-15)24(26,
    27)28/h4-13,21H,1-3H3,(H,
    33,35)/t21-/m0/s1;
    KPDNRBOZALCFHR-NRFANRHFSA-N    		 Cc1cc(cc(c1)C(F)(F)F)C(C(=O)N(C)C)NC(=O)
    c2cnccc2c3ccc(cc3)C(F)(F)F; CN(C)C(=O)[C
    H](NC(=O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cc
    (C)cc(c3)C(F)(F)F; CN(C)C(=O)[C@@H](NC(=
    O)c1cnccc1c2ccc(cc2)C(F)(F)F)c3cc(C)cc(c
    3)C(F)(F)F; O=C(NC(c1cc(C)cc(c1)C(F)(F)F
    )C(=O)N(C)C)c1cnccc1c1ccc(cc1)C(F)(F)F;
    Cc1cc(cc(c1)C(F)(F)F)[C@@H](C(=O)N(C)C)N
    C(=O)c2cnccc2c3ccc(cc3)C(F)(F)F    		 N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
    39898
    VMX
    ZINC000058638696    		 3 C13 H21 N7 O5 S InChI=1S/C13H21N7O5S/c14-
    2-1-3-26(23,24)19-4-7-9(2
    1)10(22)13(25-7)20-6-18-8
    -11(15)16-5-17-12(8)20/h5
    -7,9-10,13,19,21-22H,1-4,
    14H2,(H2,15,16,17)/t7-,9-
    ,10-,13-/m1/s1;
    GCNSCCULRVBOML-QYVSTXNMSA-N    		 NCCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1
    O)n2cnc3c(N)ncnc23; NCCC[S](=O)(=O)NC[C@
    H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncn
    c23; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@
    H]([C@H](O3)CNS(=O)(=O)CCCN)O)O)N; c1nc(
    c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)CCCN)
    O)O)N    		 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine
    39899
    VMY
    CHEMBL3088172
    ZINC000095921165    		 6 C18 H16 F2 N6 O S2 InChI=1S/C18H16F2N6OS2/c1
    -10-9-28-15(21-10)18(2,27
    )16-23-24-17(29-16)22-14-
    6-7-26(25-14)8-11-12(19)4
    -3-5-13(11)20/h3-7,9,27H,
    8H2,1-2H3,(H,22,24,25)/t1
    8-/m0/s1;
    UXRSVTXAGGLLHU-SFHVURJKSA-N    		 Cc1csc(n1)[C](C)(O)c2sc(Nc3ccn(Cc4c(F)cc
    cc4F)n3)nn2; Fc1cccc(F)c1Cn4nc(Nc2nnc(s2
    )C(O)(c3nc(cs3)C)C)cc4; Cc1csc(n1)[C@@](
    C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O; C
    c1csc(n1)C(C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cc
    cc4F)F)O; Cc1csc(n1)[C@](C)(O)c2sc(Nc3cc
    n(Cc4c(F)cccc4F)n3)nn2    		 (1S)-1-(5-{[1-(2,6-DIFLUOROBENZYL)-1H-PYRAZOL-3-YL]AMINO}-1,3,4-THIADIAZOL-2-YL)-1-(4-METHYL-1,3-THIAZOL-2-YL)ETHANOL
    39900
    VMZ    		 2 C27 H33 Cl N6 O InChI=1S/C27H33ClN6O/c1-1
    9(35)33-14-16-34(17-15-33
    )22-8-9-23-24(18-22)31-26
    (32-25(23)30-13-12-29)27(
    10-2-3-11-27)20-4-6-21(28
    )7-5-20/h4-9,18H,2-3,10-1
    7,29H2,1H3,(H,30,31,32);
    QNLFBABAPIXMQM-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4
    (CCCC4)c5ccc(Cl)cc5; CC(=O)N1CCN(CC1)c2c
    cc3c(c2)nc(nc3NCCN)C4(CCCC4)c5ccc(cc5)Cl    		 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone
    39901
    VN0    		 2 C7 H16 N2 O3 InChI=1S/C7H16N2O3/c1-8-2
    -4-6(11)7(12)5(3-10)9-4/h
    4-12H,2-3H2,1H3/t4-,5-,6-
    ,7+/m1/s1;
    LPOCSFFEUYJDFL-GBNDHIKLSA-N    		 CNC[CH]1N[CH](CO)[CH](O)[CH]1O; CNC[C@H]
    1N[C@H](CO)[C@H](O)[C@@H]1O; CNCC1C(C(C(
    N1)CO)O)O; CNC[C@@H]1[C@H]([C@H]([C@H](N
    1)CO)O)O    		 (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol
    39902
    VN1    		 8 C22 H33 N9 O2 InChI=1S/C22H33N9O2/c1-4-
    15(2)21(18-13-30(28-27-18
    )10-6-5-9-23)31-12-17(26-
    29-31)14-33-19-8-7-16(22(
    24)25)11-20(19)32-3/h7-8,
    11-13,15,21H,4-6,9-10,14,
    23H2,1-3H3,(H3,24,25)/t15
    -,21-/m0/s1;
    DNIWQYWTKVVYDZ-BTYIYWSLSA-N    		 CCC(C)C(c1cn(nn1)CCCCN)n2cc(nn2)COc3ccc(
    cc3OC)C(=N)N; [H]/N=C(\c1ccc(c(c1)OC)OCc
    2cn(nn2)[C@H](c3cn(nn3)CCCCN)[C@@H](C)CC
    )/N; CC(C(c1cn(CCCCN)nn1)n2cc(nn2)COc3c(
    cc(/C(N)=N)cc3)OC)CC; CC[C@H](C)[C@H](n1
    cc(COc2ccc(cc2OC)C(N)=N)nn1)c3cn(CCCCN)n
    n3; CC[CH](C)[CH](n1cc(COc2ccc(cc2OC)C(N
    )=N)nn1)c3cn(CCCCN)nn3    		 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide
    39903
    VN2    		 2 C34 H21 F9 N4 O2 InChI=1S/C34H21F9N4O2/c35
    -32(36,37)22-8-4-19(5-9-2
    2)25-12-14-44-17-27(25)30
    (48)47-29(21-2-1-3-24(16-
    21)34(41,42)43)31(49)46-2
    8-18-45-15-13-26(28)20-6-
    10-23(11-7-20)33(38,39)40
    /h1-18,29H,(H,46,49)(H,47
    ,48)/t29-/m0/s1;
    BXBAJPGXWPVCNU-LJAQVGFWSA-N    		 O=C(Nc1cnccc1c1ccc(cc1)C(F)(F)F)C(NC(=O)
    c1cnccc1c1ccc(cc1)C(F)(F)F)c1cccc(c1)C(F
    )(F)F; c1cc(cc(c1)C(F)(F)F)[C@@H](C(=O)N
    c2cnccc2c3ccc(cc3)C(F)(F)F)NC(=O)c4cnccc
    4c5ccc(cc5)C(F)(F)F; FC(F)(F)c1ccc(cc1)c
    2ccncc2NC(=O)[C@@H](NC(=O)c3cnccc3c4ccc(
    cc4)C(F)(F)F)c5cccc(c5)C(F)(F)F; c1cc(cc
    (c1)C(F)(F)F)C(C(=O)Nc2cnccc2c3ccc(cc3)C
    (F)(F)F)NC(=O)c4cnccc4c5ccc(cc5)C(F)(F)F
    ; FC(F)(F)c1ccc(cc1)c2ccncc2NC(=O)[CH](N
    C(=O)c3cnccc3c4ccc(cc4)C(F)(F)F)c5cccc(c
    5)C(F)(F)F    		 N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
    39904
    VN3    		 6 O3 V InChI=1S/3O.V/q;;;-1;
    YTVPPYMZCLYRBX-UHFFFAOYSA-N    		 O=[V-](=O)=O VANADATE ION;
    METAVANADATE
    39905
    VN4    		 29 O3 V InChI=1S/3O.V/q;;-1;;
    ALTWGIIQPLQAAM-UHFFFAOYSA-N    		 [O-][V](=O)=O oxido(dioxo)vanadium
    39906
    VN5    		 1 C25 H32 N6 O InChI=1S/C25H32N6O/c1-30-
    13-15-31(16-14-30)19-5-8-
    21-22(17-19)28-24(29-23(2
    1)27-12-11-26)25(9-10-25)
    18-3-6-20(32-2)7-4-18/h3-
    8,17H,9-16,26H2,1-2H3,(H,
    27,28,29);
    XTLPTSDXAUSHCD-UHFFFAOYSA-N    		 COc1ccc(cc1)C2(CC2)c3nc(NCCN)c4ccc(cc4n3
    )N5CCN(C)CC5; CN1CCN(CC1)c2ccc3c(c2)nc(n
    c3NCCN)C4(CC4)c5ccc(cc5)OC    		 ~{N}'-[2-[1-(4-methoxyphenyl)cyclopropyl]-7-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine
    39907
    VN6    		 1 C30 H37 N9 O5 S2 InChI=1S/C30H37N9O5S2/c1-
    21-14-25(17-32)35-30(33-2
    1)38-10-12-39(13-11-38)46
    (43,44)26-7-5-24(6-8-26)3
    4-29(40)27-15-22(18-37-19
    -23(16-31)20-37)4-9-28(27
    )36(2)45(3,41)42/h4-9,14-
    15,23H,10-13,16,18-20,31H
    2,1-3H3,(H,34,40);
    YZXAAZBUIFNWLC-UHFFFAOYSA-N    		 CN(c1ccc(CN2CC(CN)C2)cc1C(=O)Nc3ccc(cc3)
    [S](=O)(=O)N4CCN(CC4)c5nc(C)cc(n5)C#N)[S
    ](C)(=O)=O; Cc1cc(nc(n1)N2CCN(CC2)S(=O)(
    =O)c3ccc(cc3)NC(=O)c4cc(ccc4N(C)S(=O)(=O
    )C)CN5CC(C5)CN)C#N    		 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
    39908
    VN8    		 2 C23 H25 Cl2 N3 O2 InChI=1S/C23H25Cl2N3O2/c1
    -26-19-8-9-28(14-16-10-17
    (24)13-18(25)11-16)21(19)
    23(30)27(2)20(22(26)29)12
    -15-6-4-3-5-7-15/h3-7,10-
    11,13,19-21H,8-9,12,14H2,
    1-2H3/t19-,20+,21+/m1/s1;
    MWJQVEWYXAWYBM-HKBOAZHASA-N    		 CN1[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3)[C@@H]2C
    (=O)N(C)[C@@H](Cc4ccccc4)C1=O; CN1C2CCN(
    C2C(=O)N(C(C1=O)Cc3ccccc3)C)Cc4cc(cc(c4)
    Cl)Cl; CN1[CH]2CCN(Cc3cc(Cl)cc(Cl)c3)[CH
    ]2C(=O)N(C)[CH](Cc4ccccc4)C1=O; Clc1cc(c
    c(Cl)c1)CN1CCC2N(C)C(=O)C(Cc3ccccc3)N(C)
    C(=O)C21; CN1[C@@H]2CCN([C@@H]2C(=O)N([C
    @H](C1=O)Cc3ccccc3)C)Cc4cc(cc(c4)Cl)Cl    		 (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione
    39909
    VN9    		 2 C9 H9 N O InChI=1S/C9H9NO/c11-9-6-5
    -7-3-1-2-4-8(7)10-9/h1-4H
    ,5-6H2,(H,10,11);
    TZOYXRMEFDYWDQ-UHFFFAOYSA-N    		 O=C1CCc2ccccc2N1; c1ccc2c(c1)CCC(=O)N2 3,4-dihydro-1~{H}-quinolin-2-one
    39910
    VNB    		 2 C8 H18 N2 O3 InChI=1S/C8H18N2O3/c1-10(
    2)3-5-7(12)8(13)6(4-11)9-
    5/h5-9,11-13H,3-4H2,1-2H3
    /t5-,6-,7-,8+/m1/s1;
    UTJUIABWRUKQDR-XUTVFYLZSA-N    		 CN(C)C[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O
    ; CN(C)C[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
    ; CN(C)C[CH]1N[CH](CO)[CH](O)[CH]1O; CN(
    C)CC1C(C(C(N1)CO)O)O    		 (2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
    39911
    VNC
    ZINC000006734240    		 1 C10 H13 N O4 S InChI=1S/C10H13NO4S/c1-11
    (8-10(12)15-2)16(13,14)9-
    6-4-3-5-7-9/h3-7H,8H2,1-2
    H3;
    LGGYBAUTKKAFGO-UHFFFAOYSA-N    		 O=S(=O)(N(C)CC(=O)OC)c1ccccc1; CN(CC(=O)
    OC)S(=O)(=O)c1ccccc1; COC(=O)CN(C)[S](=O
    )(=O)c1ccccc1    		 methyl N-(benzenesulfonyl)-N-methylglycinate
    39912
    VND
    CHEMBL5190093    		 4 C11 H23 N O5 InChI=1S/C11H23NO5/c1-2-3
    -4-12-7-5-11(17,6-13)10(1
    6)9(15)8(7)14/h7-10,12-17
    H,2-6H2,1H3/t7-,8-,9+,10-
    ,11-/m0/s1;
    OSBGPDPUURWCPT-HHKYUTTNSA-N    		 CCCCN[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)
    [C@H]1O; N(C1CC(C(C(C1O)O)O)(CO)O)CCCC;
    CCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O
    )O)(CO)O; CCCCNC1CC(C(C(C1O)O)O)(CO)O; C
    CCCN[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O    		 (1S,2S,3R,4S,5S)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
    39913
    VNE    		 1 C12 H11 N O2 InChI=1S/C12H11NO2/c1-15-
    11-6-4-5-10(9-11)12(14)13
    -7-2-3-8-13/h2-9H,1H3;
    ZOOZENPHQZOTKS-UHFFFAOYSA-N    		 COc1cccc(c1)C(=O)n2cccc2 (3-methoxyphenyl)-pyrrol-1-yl-methanone
    39914
    VNF
    CHEMBL1236676
    ZINC000034629627    		 1 C24 H20 Cl N3 O InChI=1S/C24H20ClN3O/c25-
    22-12-10-19(11-13-22)18-6
    -8-21(9-7-18)24(29)27-23(
    16-28-15-14-26-17-28)20-4
    -2-1-3-5-20/h1-15,17,23H,
    16H2,(H,27,29)/t23-/m0/s1;
    CIFIVCCKVZFJFT-QHCPKHFHSA-N    		 c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3
    )c4ccc(cc4)Cl; Clc1ccc(cc1)c2ccc(cc2)C(=
    O)N[C@@H](Cn3ccnc3)c4ccccc4; c1ccc(cc1)C
    (Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl;
    Clc1ccc(cc1)c2ccc(cc2)C(=O)N[CH](Cn3ccnc
    3)c4ccccc4    		 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide
    39915
    VNG    		 1 C15 H12 N4 O2 S InChI=1S/C15H12N4O2S/c20-
    15(9-1-2-9)18-13-7-10(5-6
    -16-13)11-3-4-12(22-11)14
    -17-8-21-19-14/h3-9H,1-2H
    2,(H,16,18,20);
    MRPLZYZSVZVELT-UHFFFAOYSA-N    		 O=C(Nc1cc(ccn1)c2sc(cc2)c3nocn3)C4CC4; c
    1cc(sc1c2ccnc(c2)NC(=O)C3CC3)c4ncon4    		 N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide
    39916
    VNI
    CHEMBL1236677
    ZINC000058655680    		 6 C26 H19 Cl2 N5 O2 InChI=1S/C26H19Cl2N5O2/c2
    7-20-10-11-21(22(28)14-20
    )23(15-33-13-12-29-16-33)
    30-24(34)17-6-8-19(9-7-17
    )26-32-31-25(35-26)18-4-2
    -1-3-5-18/h1-14,16,23H,15
    H2,(H,30,34)/t23-/m0/s1;
    CJPLMXOWZZCYHJ-QHCPKHFHSA-N    		 c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)NC(Cn4
    ccnc4)c5ccc(cc5Cl)Cl; Clc1ccc([CH](Cn2cc
    nc2)NC(=O)c3ccc(cc3)c4oc(nn4)c5ccccc5)c(
    Cl)c1; c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O
    )N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl; Clc1cc
    c([C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4oc(nn
    4)c5ccccc5)c(Cl)c1; Clc1ccc(c(Cl)c1)C(NC
    (=O)c4ccc(c2nnc(o2)c3ccccc3)cc4)Cn5ccnc5    		 N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
    39917
    VNJ
    CHEMBL2251601
    ZINC000000164490    		 2 C8 H9 N O InChI=1S/C8H9NO/c1-6(10)7
    -4-2-3-5-8(7)9/h2-5H,9H2,
    1H3;
    GTDQGKWDWVUKTI-UHFFFAOYSA-N    		 O=C(c1ccccc1N)C; CC(=O)c1ccccc1N 2-aminoacetophenone
    39918
    VNK
    ZINC000098209530    		 6 C27 H52 N4 O5 InChI=1S/C27H52N4O5/c1-10
    -11-12-13-22(32)30-24(18(
    4)5)27(36)28-20(14-15-23(
    33)31(8)9)26(35)29-21(16-
    17(2)3)25(34)19(6)7/h17-2
    1,24-25,34H,10-16H2,1-9H3
    ,(H,28,36)(H,29,35)(H,30,
    32)/t20-,21-,24-,25-/m0/s
    1;
    NHNWMUWCUHYJIR-NBMBROAQSA-N    		 CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC
    (=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C
    (C)C; CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@
    H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H
    ](C(C)C)O; CCCCCC(=O)N[CH](C(C)C)C(=O)N[
    CH](CCC(=O)N(C)C)C(=O)N[CH](CC(C)C)[CH](
    O)C(C)C; CCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(
    =O)N(C)C)C(=O)NC(CC(C)C)C(C(C)C)O; O=C(N
    C(CC(C)C)C(O)C(C)C)C(NC(=O)C(NC(=O)CCCCC
    )C(C)C)CCC(=O)N(C)C    		 N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide;
    vinylketone carmaphycin analogue VNK1, double bound form
    39919
    VNL
    DB02130    		 42 C8 H7 O4 InChI=1S/C8H8O4/c1-12-7-4
    -5(8(10)11)2-3-6(7)9/h2-4
    ,9H,1H3,(H,10,11)/p-1;
    WKOLLVMJNQIZCI-UHFFFAOYSA-M    		 [O-]C(=O)c1cc(OC)c(O)cc1; COc1cc(ccc1O)C
    (=O)[O-]; COc1cc(ccc1O)C([O-])=O    		 4-HYDROXY-3-METHOXYBENZOATE;
    vanillate
    39920
    VNM    		 1 C30 H38 N9 O13 P InChI=1S/C30H38N9O13P/c31
    -25-24-18(35-29(32)36-25)
    6-5-17(10-33-16-3-1-14(2-
    4-16)26(43)34-19(28(45)46
    )7-8-23(41)42)38(24)11-15
    -12-39(30(47)37-27(15)44)
    22-9-20(40)21(52-22)13-51
    -53(48,49)50/h1-4,12,17,1
    9-22,33,40H,5-11,13H2,(H,
    34,43)(H,41,42)(H,45,46)(
    H,37,44,47)(H2,48,49,50)(
    H4,31,32,35,36)/t17-,19-,
    20-,21+,22+/m0/s1;
    OYTZJQBUPHBEFY-GLOJMNGXSA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC
    [C@@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)N
    C4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)
    O; c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2
    CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)C5
    CC(C(O5)COP(=O)(O)O)O; C1(=O)N(C=C(C(N1)
    =O)CN2c4c(N)nc(nc4CCC2CNc3ccc(C(NC(C(=O)
    O)CCC(O)=O)=O)cc3)N)C5CC(O)C(COP(O)(=O)O
    )O5; Nc1nc(N)c2N(CC3=CN([CH]4C[CH](O)[CH
    ](CO[P](O)(O)=O)O4)C(=O)NC3=O)[CH](CCc2n
    1)CNc5ccc(cc5)C(=O)N[CH](CCC(O)=O)C(O)=O
    ; Nc1nc(N)c2N(CC3=CN([C@H]4C[C@H](O)[C@@
    H](CO[P](O)(O)=O)O4)C(=O)NC3=O)[C@@H](CC
    c2n1)CNc5ccc(cc5)C(=O)N[C@@H](CCC(O)=O)C
    (O)=O    		 (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)
    39921
    VNN
    ZINC000016580790    		 2 C11 H16 N2 O S InChI=1S/C11H16N2OS/c1-9-
    7-10(8-15-9)11(14)13-5-3-
    12(2)4-6-13/h7-8H,3-6H2,1
    -2H3;
    SXUGOFSFLSCLEM-UHFFFAOYSA-N    		 Cc1cc(cs1)C(=O)N1CCN(C)CC1; Cc1cc(cs1)C(
    =O)N2CCN(CC2)C; CN1CCN(CC1)C(=O)c2csc(C)
    c2    		 (4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone
    39922
    VNO    		 2 C8 H18 N2 O3 S InChI=1S/C8H18N2O3S/c1-5-
    14(12,13)7-6-10(4)8(11)9(
    2)3/h5-7H2,1-4H3;
    UOXRWMXCKRZTCY-UHFFFAOYSA-N    		 CC[S](=O)(=O)CCN(C)C(=O)N(C)C; CCS(=O)(=
    O)CCN(C)C(=O)N(C)C    		 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea
    39923
    VNP
    ZINC000036470935    		 4 C12 H20 N5 O6 P2 S InChI=1S/C12H19N5O6P2S/c1
    -8-11(3-4-23-25(21,22)16-
    24(18,19)20)26-7-17(8)6-1
    0-5-14-9(2)15-12(10)13/h5
    ,7H,3-4,6H2,1-2H3,(H5-,13
    ,14,15,16,18,19,20,21,22)
    /p+1;
    LWNISHVQCROCTL-UHFFFAOYSA-O    		 Cc1ncc(C[n+]2csc(CCO[P@](O)(=O)N[P](O)(O
    )=O)c2C)c(N)n1; Cc1ncc(C[n+]2csc(CCO[P](
    O)(=O)N[P](O)(O)=O)c2C)c(N)n1; Cc1c(sc[n
    +]1Cc2cnc(nc2N)C)CCOP(=O)(NP(=O)(O)O)O;
    O=P(O)(O)NP(=O)(O)OCCc1sc[n+](c1C)Cc2c(n
    c(nc2)C)N; Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO
    [P@](=O)(NP(=O)(O)O)O    		 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-(2-{[HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-I UM;
    THIAMIN-PNP;
    [2-[3-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YL)METHYL]-4-METHYL-1-THIA-3-AZON IACYCLOPENTA-2,4-DIEN-5-YL]ETHOXY-HYDROXY-PHOSPHORYL]AMINOPHOSPHONIC ACID
    39924
    VNQ    		 2 C7 H15 N O4 InChI=1S/C7H15NO4/c1-8-4(
    2-9)6(11)7(12)5(8)3-10/h4
    -7,9-12H,2-3H2,1H3/t4-,5-
    ,6-,7+/m1/s1;
    YWBPEHFIHKFMMC-GBNDHIKLSA-N    		 CN1C(C(C(C1CO)O)O)CO; CN1[C@H](CO)[C@H](
    O)[C@H](O)[C@H]1CO; CN1[C@@H]([C@H]([C@H
    ]([C@H]1CO)O)O)CO; CN1[CH](CO)[CH](O)[CH
    ](O)[CH]1CO    		 (2~{R},3~{S},4~{R},5~{R})-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
    39925
    VNR
    ZINC000098209531    		 4 C23 H35 N4 O16 P3 InChI=1S/C23H35N4O16P3/c1
    -4-14(5-6-41-46(39,40)43-
    45(36,37)38)9-23-20(24-22
    (32)25-21(23)31)27(16-8-1
    3(3)12(2)7-15(16)26-23)10
    -17(28)19(30)18(29)11-42-
    44(33,34)35/h4,7-8,17-19,
    26,28-30H,5-6,9-11H2,1-3H
    3,(H,39,40)(H,25,31,32)(H
    2,33,34,35)(H2,36,37,38)/
    b14-4+/t17-,18+,19-,23+/m
    0/s1;
    OAOWJIIZSRFUAL-QCJQWHCGSA-N    		 CC=C(CCOP(=O)(O)OP(=O)(O)O)CC12C(=O)NC(=
    O)N=C1N(c3cc(c(cc3N2)C)C)CC(C(C(COP(=O)(
    O)O)O)O)O; CC=C(CCO[P](O)(=O)O[P](O)(O)=
    O)C[C]12Nc3cc(C)c(C)cc3N(C[CH](O)[CH](O)
    [CH](O)CO[P](O)(O)=O)C1=NC(=O)NC2=O; C/C
    =C(CCO[P](O)(=O)O[P](O)(O)=O)/C[C@@]12Nc
    3cc(C)c(C)cc3N(C[C@H](O)[C@H](O)[C@H](O)
    CO[P](O)(O)=O)C1=NC(=O)NC2=O; O=P(O)(O)O
    CC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(
    c(cc12)C)C)CC(=C/C)/CCOP(=O)(O)OP(=O)(O)
    O; C/C=C(\CCO[P@](=O)(O)OP(=O)(O)O)/C[C@
    ]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C
    @@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O    		 1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
    39926
    VNS    		 19 C31 H29 F N4 O3 S InChI=1S/C31H29FN4O3S/c1-
    35-13-10-21(11-14-35)19-2
    -4-20(5-3-19)22-6-7-23-18
    -36(30(39)25(23)16-22)28(
    26-17-24(32)8-9-27(26)37)
    29(38)34-31-33-12-15-40-3
    1/h2-9,12,15-17,21,28,37H
    ,10-11,13-14,18H2,1H3,(H,
    33,34,38)/t28-/m1/s1;
    SYTVDTWRIZNVEW-MUUNZHRXSA-N    		 CN1CCC(CC1)c2ccc(cc2)c3ccc4CN([C@@H](C(=
    O)Nc5sccn5)c6cc(F)ccc6O)C(=O)c4c3; O=C(N
    c1nccs1)C(c2cc(F)ccc2O)N6C(c3c(ccc(c3)c4
    ccc(cc4)C5CCN(C)CC5)C6)=O; CN1CCC(CC1)c2
    ccc(cc2)c3ccc4CN([CH](C(=O)Nc5sccn5)c6cc
    (F)ccc6O)C(=O)c4c3; CN1CCC(CC1)c2ccc(cc2
    )c3ccc4c(c3)C(=O)N(C4)C(c5cc(ccc5O)F)C(=
    O)Nc6nccs6; CN1CCC(CC1)c2ccc(cc2)c3ccc4c
    (c3)C(=O)N(C4)[C@H](c5cc(ccc5O)F)C(=O)Nc
    6nccs6    		 (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
    39927
    VNT
    ZINC000098209532    		 4 C25 H18 Cl2 N6 O2 InChI=1S/C25H18Cl2N6O2/c2
    6-19-10-11-20(21(27)12-19
    )22(13-33-15-28-14-29-33)
    30-23(34)16-6-8-18(9-7-16
    )25-32-31-24(35-25)17-4-2
    -1-3-5-17/h1-12,14-15,22H
    ,13H2,(H,30,34)/t22-/m0/s
    1;
    KSMSKLCCSVEWDM-QFIPXVFZSA-N    		 Clc1ccc(c(Cl)c1)C(NC(=O)c4ccc(c2nnc(o2)c
    3ccccc3)cc4)Cn5ncnc5; c1ccc(cc1)c2nnc(o2
    )c3ccc(cc3)C(=O)NC(Cn4cncn4)c5ccc(cc5Cl)
    Cl; c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[
    C@@H](Cn4cncn4)c5ccc(cc5Cl)Cl; Clc1ccc([
    CH](Cn2cncn2)NC(=O)c3ccc(cc3)c4oc(nn4)c5
    ccccc5)c(Cl)c1; Clc1ccc([C@H](Cn2cncn2)N
    C(=O)c3ccc(cc3)c4oc(nn4)c5ccccc5)c(Cl)c1    		 N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
    39928
    VNU    		 2 C12 H16 N2 O InChI=1S/C12H16N2O/c13-9-
    11(15)14-12(7-4-8-12)10-5
    -2-1-3-6-10/h1-3,5-6H,4,7
    -9,13H2,(H,14,15);
    NFWJLHQGYPHNHW-UHFFFAOYSA-N    		 c1ccc(cc1)C2(CCC2)NC(=O)CN; O=C(NC1(CCC1
    )c1ccccc1)CN; NCC(=O)NC1(CCC1)c2ccccc2    		 N-(1-phenylcyclobutyl)glycinamide
    39929
    VNV    		 1 C9 H8 N2 O InChI=1S/C9H8N2O/c10-9-6-
    8(11-12-9)7-4-2-1-3-5-7/h
    1-6H,10H2;
    HLOHVVZZMMMDMM-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc(on2)N; Nc1onc(c1)c2ccccc2 3-phenyl-1,2-oxazol-5-amine
    39930
    VNW    		 0 C11 H10 N2 O2 Se InChI=1S/C11H10N2O2Se/c1-
    16-9-5-8(11(14)15)13-10-6
    (9)3-2-4-7(10)12/h2-5H,12
    H2,1H3,(H,14,15);
    XNDKSZNZLHRFIR-UHFFFAOYSA-N    		 C[Se]c1cc(nc2c(N)cccc12)C(O)=O; C[Se]c1c
    c(nc2c1cccc2N)C(=O)O    		 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
    39931
    VNX
    ZINC000002559289    		 1 C4 H6 N4 InChI=1S/C4H6N4/c1-2-3(1)
    4-5-7-8-6-4/h3H,1-2H2,(H,
    5,6,7,8);
    JOMBXHCJYIMCPC-UHFFFAOYSA-N    		 C1CC1c2n[nH]nn2; C1CC1c1n[NH]nn1 5-cyclopropyl-2H-tetrazole
    39932
    VNY
    ZINC000584905731    		 1 C21 H24 O5 InChI=1S/C21H24O5/c1-13(1
    1-17-19(23)21(25)20(24)18
    (12-22)26-17)14-7-9-16(10
    -8-14)15-5-3-2-4-6-15/h2-
    11,17-25H,12H2,1H3/b13-11
    +/t17-,18-,19-,20-,21-/m1
    /s1;
    CZOUTUOSDBYBBC-OBPXZMPXSA-N    		 C\C(=C/[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)
    [C@@H]1O)c2ccc(cc2)c3ccccc3; C/C(=C\[C@@
    H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)
    /c2ccc(cc2)c3ccccc3; CC(=C[CH]1O[CH](CO)
    [CH](O)[CH](O)[CH]1O)c2ccc(cc2)c3ccccc3;
    CC(=CC1C(C(C(C(O1)CO)O)O)O)c2ccc(cc2)c3
    ccccc3    		 PARA-BIPHENYL METHYLENE C-LINKED MANNOSIDE
    39933
    VNZ    		 2 C27 H36 N2 O5 InChI=1S/C27H36N2O5/c1-28
    (17-21-11-20-14-25(33-4)2
    6(34-5)16-22(20)21)8-6-9-
    29-10-7-18-12-23(31-2)24(
    32-3)13-19(18)15-27(29)30
    /h12-14,16,21H,6-11,15,17
    H2,1-5H3/t21-/m1/s1;
    ACRHBAYQBXXRTO-OAQYLSRUSA-N    		 CN(CCCN1CCc2cc(c(cc2CC1=O)OC)OC)C[C@H]3C
    c4c3cc(c(c4)OC)OC; COc1cc2CCN(CCCN(C)C[C
    @H]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC; CO
    c1cc2CCN(CCCN(C)C[CH]3Cc4cc(OC)c(OC)cc34
    )C(=O)Cc2cc1OC; CN(CCCN1CCc2cc(c(cc2CC1=
    O)OC)OC)CC3Cc4c3cc(c(c4)OC)OC    		 Ivabradine;
    3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;
    3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
    39934
    VO0    		 2 C7 H16 N2 O3 InChI=1S/C7H16N2O3/c1-9-4
    (2-8)6(11)7(12)5(9)3-10/h
    4-7,10-12H,2-3,8H2,1H3/t4
    -,5-,6-,7+/m1/s1;
    NUCGMCIENZGSKH-GBNDHIKLSA-N    		 CN1[C@H](CN)[C@@H](O)[C@@H](O)[C@H]1CO;
    CN1C(C(C(C1CO)O)O)CN; CN1[C@@H]([C@H]([C
    @H]([C@H]1CO)O)O)CN; CN1[CH](CN)[CH](O)[
    CH](O)[CH]1CO    		 (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
    39935
    VO1
    CHEMBL2430868
    ZINC000095081166    		 1 C16 H15 N3 O S InChI=1S/C16H15N3OS/c1-12
    -11-21-16(18-12)19-15-14(
    8-5-9-17-15)20-10-13-6-3-
    2-4-7-13/h2-9,11H,10H2,1H
    3,(H,17,18,19);
    LPJWCRSWBACCSH-UHFFFAOYSA-N    		 Cc1csc(Nc2ncccc2OCc3ccccc3)n1; n2cccc(OC
    c1ccccc1)c2Nc3nc(cs3)C; Cc1csc(n1)Nc2c(c
    ccn2)OCc3ccccc3    		 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
    39936
    VO2
    CHEMBL2430855
    ZINC000095921074    		 1 C17 H17 N3 O S InChI=1S/C17H17N3OS/c1-12
    -8-15(21-10-14-6-4-3-5-7-
    14)16(18-9-12)20-17-19-13
    (2)11-22-17/h3-9,11H,10H2
    ,1-2H3,(H,18,19,20);
    QFOFZZJJRFMLKB-UHFFFAOYSA-N    		 n2cc(cc(OCc1ccccc1)c2Nc3nc(cs3)C)C; Cc1c
    nc(Nc2scc(C)n2)c(OCc3ccccc3)c1; Cc1cc(c(
    nc1)Nc2nc(cs2)C)OCc3ccccc3    		 3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
    39937
    VO3    		 1 O13 V4 InChI=1S/13O.4V/q;;;;;;;6
    *-1;;;;;
    JXIADNYSXBZKBU-UHFFFAOYSA-N    		 [O-][V](=O)([O-])O[V](=O)([O-])O[V](=O)(
    [O-])O[V](=O)([O-])[O-]; [O-][V]([O-])(=
    O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])
    ([O-])=O    		 TETRAMETAVANADATE
    39938
    VO4    		 97 O4 V InChI=1S/4O.V/q;3*-1;;
    LSGOVYNHVSXFFJ-UHFFFAOYSA-N    		 [O-][V]([O-])([O-])=O; [O-][V](=O)([O-])
    [O-]    		 VANADATE ION
    39939
    VO5
    ZINC000037022059    		 2 C9 H13 N O3 S InChI=1S/C9H13NO3S/c1-3-1
    0-14(11,12)9-7-5-4-6-8(9)
    13-2/h4-7,10H,3H2,1-2H3;
    WLSLKKLIABBOLC-UHFFFAOYSA-N    		 CCNS(=O)(=O)c1ccccc1OC; O=S(=O)(NCC)c1cc
    ccc1OC; CCN[S](=O)(=O)c1ccccc1OC    		 N-ethyl-2-methoxybenzene-1-sulfonamide
    39940
    VO7
    CHEMBL3353411
    ZINC000147059673    		 4 C27 H31 N7 O2 InChI=1S/C27H31N7O2/c1-6-
    26(35)30-22-15-23(25(36-5
    )16-24(22)34(4)14-13-33(2
    )3)32-27-28-12-11-21(31-2
    7)19-17-29-20-10-8-7-9-18
    (19)20/h6-12,15-17,29H,1,
    13-14H2,2-5H3,(H,30,35)(H
    ,28,31,32);
    IQNVEOMHJHBNHC-UHFFFAOYSA-N    		 COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2ncc
    c(n2)c3c[nH]c4ccccc34; CN(C)CCN(C)c1cc(c
    (cc1NC(=O)C=C)Nc2nccc(n2)c3c[nH]c4c3cccc
    4)OC; c1c(NC([C@H]=C)=O)c(cc(c1Nc4nc(c2c
    3c(nc2)cccc3)ccn4)OC)N(C)CCN(C)C    		 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide;
    AZ5104
    39941
    VO8    		 1 C29 H23 N3 O4 InChI=1S/C29H23N3O4/c1-2-
    28(33)32-24-10-4-3-9-23(2
    4)31(29(32)34)16-17-35-26
    -11-5-6-12-27(26)36-25-13
    -7-8-21-18-20(19-30)14-15
    -22(21)25/h3-15,18H,2,16-
    17H2,1H3;
    LHEUAVBYYKCINL-UHFFFAOYSA-N    		 CCC(=O)N1c2ccccc2N(C1=O)CCOc3ccccc3Oc4cc
    cc5c4ccc(c5)C#N; N#Cc1ccc2c(c1)cccc2Oc1c
    cccc1OCCN1c2ccccc2N(C(=O)CC)C1=O; CCC(=O
    )N1C(=O)N(CCOc2ccccc2Oc3cccc4cc(ccc34)C#
    N)c5ccccc15    		 5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile
    39942
    VO9
    ZINC000036129980    		 2 C10 H13 N O2 S InChI=1S/C10H13NO2S/c12-6
    -5-11(8-3-4-8)10(13)9-2-1
    -7-14-9/h1-2,7-8,12H,3-6H
    2;
    SOFDWZUMJONKNV-UHFFFAOYSA-N    		 c1cc(sc1)C(=O)N(CCO)C2CC2; O=C(N(CCO)C1C
    C1)c1cccs1; OCCN(C1CC1)C(=O)c2sccc2    		 N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
    39943
    VOB    		 1 C12 H18 N2 O3 InChI=1S/C12H18N2O3/c1-3-
    13(4-2)9-10-17-12-7-5-11(
    6-8-12)14(15)16/h5-8H,3-4
    ,9-10H2,1-2H3/q+4;
    WUOVDRBJVQQBFM-UHFFFAOYSA-N    		 CCN(CC)CCOc1ccc(cc1)[N+4](=O)=O ~{N},~{N}-diethyl-2-(4-nitrophenoxy)ethanamine
    39944
    VOC    		 1 C16 H16 N4 O2 InChI=1S/C16H16N4O2/c1-2-
    10-4-3-5-11-14(10)18-19-1
    5(11)16(21)20-7-6-13-12(8
    -20)17-9-22-13/h3-5,9H,2,
    6-8H2,1H3,(H,18,19);
    JCOAMLYFOYJAMQ-UHFFFAOYSA-N    		 CCc1cccc2c([nH]nc12)C(=O)N3CCc4ocnc4C3;
    CCc1cccc2c1n[nH]c2C(=O)N3CCc4c(nco4)C3    		 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone
    39945
    VOD    		 1 C9 H10 O3 S InChI=1S/C9H10O3S/c1-2-8-
    3-5-9(6-4-8)7-13(10,11)12
    /h2-6H,1,7H2,(H,10,11,12);
    SDXKWPVFZWZYNK-UHFFFAOYSA-N    		 O=S(=O)(O)Cc1ccc(cc1)\C=C; C=Cc1ccc(cc1)
    CS(=O)(=O)O; O[S](=O)(=O)Cc1ccc(C=C)cc1    		 (4-VINYLPHENYL)METHANESULFONIC ACID
    39946
    VOE
    ZINC000001598924    		 1 C10 H15 N InChI=1S/C10H15N/c1-2-9(8
    -11)10-6-4-3-5-7-10/h3-7,
    9H,2,8,11H2,1H3/t9-/m0/s1;
    PLWALTDUYKDGRF-VIFPVBQESA-N    		 CC[C@@H](CN)c1ccccc1; NCC(CC)c1ccccc1; C
    C[CH](CN)c1ccccc1; CCC(CN)c1ccccc1    		 (2R)-2-phenylbutan-1-amine
    39947
    VOF    		 1 C10 H8 F2 N3 O InChI=1S/C10H8F2N3O/c11-1
    0(15-7-14(12)6-13-15)9(16
    )8-4-2-1-3-5-8/h1-7,10H/t
    10-/m0/s1;
    RVNIFDQWHFAHJY-JTQLQIEISA-N    		 F[CH](n1c[n](F)cn1)C(=O)c2ccccc2; c1ccc(
    cc1)C(=O)[C@H](N2C=[N](C=N2)F)F; F[C@@H]
    (n1c[n](F)cn1)C(=O)c2ccccc2; c1ccc(cc1)C
    (=O)C(N2C=[N](C=N2)F)F    		 (2~{R})-2-fluoranyl-2-(4-fluoranyl-1,2,4$l^{4}-triazacyclopenta-2,4-dien-1-yl)-1-phenyl-ethanone
    39948
    VOG
    CHEMBL476960
    DB04878
    ZINC000003788703    		 4 C10 H21 N O7 InChI=1S/C10H21NO7/c12-2-
    5(3-13)11-6-1-10(18,4-14)
    9(17)8(16)7(6)15/h5-9,11-
    18H,1-4H2/t6-,7-,8+,9-,10
    -/m0/s1;
    FZNCGRZWXLXZSZ-CIQUZCHMSA-N    		 OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H]
    (O)[C@H]1O; C1C(C(C(C(C1(CO)O)O)O)O)NC(C
    O)CO; C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1
    (CO)O)O)O)O)NC(CO)CO; C1(CC(C(C(C1O)O)O)
    NC(CO)CO)(O)CO; OCC(CO)N[CH]1C[C](O)(CO)
    [CH](O)[CH](O)[CH]1O    		 (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol;
    voglibose
    39949
    VOH
    ZINC000000388569    		 7 C9 H12 O3 InChI=1S/C9H12O3/c1-11-8-
    4-3-7(6-10)5-9(8)12-2/h3-
    5,10H,6H2,1-2H3;
    OEGPRYNGFWGMMV-UHFFFAOYSA-N    		 COc1ccc(cc1OC)CO; COc1ccc(CO)cc1OC Veratryl alcohol
    39950
    VOI    		 1 C20 H19 N3 O3 InChI=1S/C20H19N3O3/c1-22
    (2)20(24)9-11-25-18-6-3-4
    -7-19(18)26-17-8-5-10-23-
    14-15(13-21)12-16(17)23/h
    3-8,10,12,14H,9,11H2,1-2H
    3;
    UENZVQQFHDXFGK-UHFFFAOYSA-N    		 CN(C)C(=O)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N
    ; CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C
    #N; CN(C)C(=O)CCOc1ccccc1Oc2cccn3cc(cc23
    )C#N    		 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
    39951
    VOJ
    CHEMBL4787096    		 2 C20 H19 F N6 O InChI=1S/C20H19FN6O/c1-12
    -17(11-24-26-12)14-8-19(2
    0(22)23-10-14)28-13(2)16-
    9-15(21)4-5-18(16)27-7-3-
    6-25-27/h3-11,13H,1-2H3,(
    H2,22,23)(H,24,26)/t13-/m
    0/s1;
    NLKNKFKEIUZQIO-ZDUSSCGKSA-N    		 C[CH](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc
    3n4cccn4; n3c(c(OC(c2cc(ccc2n1cccn1)F)C)
    cc(c3)c4cnnc4C)N; Cc1c(c[nH]n1)c2cc(c(nc
    2)N)OC(C)c3cc(ccc3n4cccn4)F; Cc1c(c[nH]n
    1)c2cc(c(nc2)N)O[C@@H](C)c3cc(ccc3n4cccn
    4)F; C[C@H](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc
    (F)ccc3n4cccn4    		 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
    39952
    VOK
    CHEMBL450
    DB00463
    ZINC000005508997    		 1 C9 H14 N2 O3 InChI=1S/C9H14N2O3/c1-4-9
    (5-2)6(12)10-8(14)11(3)7(
    9)13/h4-5H2,1-3H3,(H,10,1
    2,14);
    FWJKNZONDWOGMI-UHFFFAOYSA-N    		 CCC1(C(=O)NC(=O)N(C1=O)C)CC; O=C1NC(=O)N
    (C)C(=O)C1(CC)CC; CCC1(CC)C(=O)NC(=O)N(C
    )C1=O    		 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
    39953
    VOL
    DB04383
    ZINC000000392015    		 0 C5 H13 N O InChI=1S/C5H13NO/c1-4(2)5
    (6)3-7/h4-5,7H,3,6H2,1-2H
    3/t5-/m1/s1;
    NWYYWIJOWOLJNR-RXMQYKEDSA-N    		 OCC(N)C(C)C; CC(C)[C@H](N)CO; CC(C)[CH](
    N)CO; CC(C)[C@@H](CO)N; CC(C)C(CO)N    		 L-VALINOL
    39954
    VOM
    CHEMBL4783261    		 4 C21 H18 F N5 O2 InChI=1S/C21H18FN5O2/c1-1
    2(16-11-15(22)4-6-18(16)2
    7-8-2-7-25-27)29-19-10-14
    -9-13(21(24)28)3-5-17(14)
    26-20(19)23/h2-12H,1H3,(H
    2,23,26)(H2,24,28)/t12-/m
    0/s1;
    NWHCWMITPAFCOH-LBPRGKRZSA-N    		 C[CH](Oc1cc2cc(ccc2nc1N)C(N)=O)c3cc(F)cc
    c3n4cccn4; c1c(c(ccc1F)n2nccc2)C(Oc4c(nc
    3c(cc(cc3)C(N)=O)c4)N)C; C[C@@H](c1cc(cc
    c1n2cccn2)F)Oc3cc4cc(ccc4nc3N)C(=O)N; C[
    C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c3cc(F)ccc
    3n4cccn4; CC(c1cc(ccc1n2cccn2)F)Oc3cc4cc
    (ccc4nc3N)C(=O)N    		 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
    39955
    VON    		 5 C6 H11 N O5 InChI=1S/C6H11NO5/c8-3-2(
    6(11)12)1-7-5(10)4(3)9/h2
    -5,7-10H,1H2,(H,11,12)/t2
    -,3-,4-,5+/m0/s1;
    ZIPHSWANMLXHEB-NEEWWZBLSA-N    		 C1[C@@H]([C@@H]([C@@H]([C@H](N1)O)O)O)C(
    =O)O; O[C@H]1NC[C@@H]([C@H](O)[C@@H]1O)C
    (O)=O; C1C(C(C(C(N1)O)O)O)C(=O)O; O[CH]1
    NC[CH]([CH](O)[CH]1O)C(O)=O    		 (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid
    39956
    VOO    		 2 C26 H26 F N5 O2 InChI=1S/C26H26FN5O2/c1-2
    8-22-15-21(27)13-19-14-23
    (30-24(19)22)26(34)32-10-
    6-17-4-5-18(12-20(17)16-3
    2)25(33)29-7-11-31-8-2-3-
    9-31/h2-5,8-9,12-15,28,30
    H,6-7,10-11,16H2,1H3,(H,2
    9,33);
    TWEWJYKJVHDAKD-UHFFFAOYSA-N    		 CNc1cc(cc2c1[nH]c(c2)C(=O)N3CCc4ccc(cc4C
    3)C(=O)NCCn5cccc5)F; CNc1cc(F)cc2cc([nH]
    c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5    		 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
    39957
    VOP
    CHEMBL4778770    		 4 C23 H19 F N6 O3 InChI=1S/C23H19FN6O3/c1-1
    3(33-21-9-14-7-16(24)3-4-
    18(14)28-23(21)25)17-10-1
    9-15(11-27-30(19)12-22(31
    )32)8-20(17)29-6-2-5-26-2
    9/h2-11,13H,12H2,1H3,(H2,
    25,28)(H,31,32)/t13-/m0/s
    1;
    WCNGWEDHZJYDQQ-ZDUSSCGKSA-N    		 C[C@H](Oc1cc2cc(F)ccc2nc1N)c3cc4n(CC(O)=
    O)ncc4cc3n5cccn5; c1c(c(cc2cnn(c12)CC(O)
    =O)n3nccc3)C(C)Oc4c(nc5c(c4)cc(cc5)F)N;
    C[CH](Oc1cc2cc(F)ccc2nc1N)c3cc4n(CC(O)=O
    )ncc4cc3n5cccn5; CC(c1cc2c(cc1n3cccn3)cn
    n2CC(=O)O)Oc4cc5cc(ccc5nc4N)F; C[C@@H](c
    1cc2c(cc1n3cccn3)cnn2CC(=O)O)Oc4cc5cc(cc
    c5nc4N)F    		 [6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid
    39958
    VOQ
    ZINC000041665020    		 1 C11 H19 N3 O2 InChI=1S/C11H19N3O2/c1-7-
    9(8(2)16-13-7)6-14(5)10(1
    5)11(3,4)12/h6,12H2,1-5H3;
    RELIAECMPOCXRD-UHFFFAOYSA-N    		 CN(Cc1c(C)onc1C)C(=O)C(C)(C)N; Cc1c(c(on
    1)C)CN(C)C(=O)C(C)(C)N    		 N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
    39959
    VOR
    CHEMBL638
    DB00582
    ZINC000000014864    		 12 C16 H14 F3 N5 O InChI=1S/C16H14F3N5O/c1-1
    0(15-14(19)5-20-7-22-15)1
    6(25,6-24-9-21-8-23-24)12
    -3-2-11(17)4-13(12)18/h2-
    5,7-10,25H,6H2,1H3/t10-,1
    6+/m0/s1;
    BCEHBSKCWLPMDN-MGPLVRAMSA-N    		 CC(c1c(cncn1)F)C(Cn2cncn2)(c3ccc(cc3F)F)
    O; C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3
    ccc(cc3F)F)O; C[C@@H](c1ncncc1F)[C@](O)(
    Cn2cncn2)c3ccc(F)cc3F; Fc1cncnc1C(C(O)(c
    2ccc(F)cc2F)Cn3ncnc3)C; C[CH](c1ncncc1F)
    [C](O)(Cn2cncn2)c3ccc(F)cc3F    		 Voriconazole;
    (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
    39960
    VOT    		 8 C31 H44 N6 O6 InChI=1S/C31H44N6O6/c1-4-
    21-6-10-23(11-7-21)36-37-
    24-12-8-22(9-13-24)17-28(
    41)35-29(20(3)38)31(43)34
    -26-18-25(39)15-16-32-27(
    40)14-5-19(2)33-30(26)42/
    h6-13,19-20,25-26,29,36-3
    9H,4-5,14-18H2,1-3H3,(H,3
    2,40)(H,33,42)(H,34,43)(H
    ,35,41)/t19-,20+,25-,26-,
    29-/m0/s1;
    RFGUMPPDEDFOAF-HXNWBPOKSA-N    		 CCc1ccc(cc1)NNc2ccc(cc2)CC(=O)NC(C(C)O)C
    (=O)NC3CC(CCNC(=O)CCC(NC3=O)C)O; CCc1ccc
    (NNc2ccc(CC(=O)N[CH]([CH](C)O)C(=O)N[CH]
    3C[CH](O)CCNC(=O)CC[CH](C)NC3=O)cc2)cc1;
    CCc1ccc(cc1)NNc2ccc(cc2)CC(=O)N[C@@H]([
    C@@H](C)O)C(=O)N[C@H]3C[C@H](CCNC(=O)CC[
    C@@H](NC3=O)C)O; CCc1ccc(NNc2ccc(CC(=O)N
    [C@@H]([C@@H](C)O)C(=O)N[C@H]3C[C@@H](O)
    CCNC(=O)CC[C@H](C)NC3=O)cc2)cc1    		 (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide
    39961
    VOU    		 1 C22 H21 N3 O3 InChI=1S/C22H21N3O3/c23-1
    5-17-14-18-19(8-5-12-25(1
    8)16-17)28-21-7-2-1-6-20(
    21)27-13-9-22(26)24-10-3-
    4-11-24/h1-2,5-8,12,14,16
    H,3-4,9-11,13H2;
    PEIZFCTZWSLJCB-UHFFFAOYSA-N    		 c1ccc(c(c1)OCCC(=O)N2CCCC2)Oc3cccn4c3cc(
    c4)C#N; O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc
    21)N1CCCC1; O=C(CCOc1ccccc1Oc2cccn3cc(cc
    23)C#N)N4CCCC4    		 (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
    39962
    VOV    		 10 C35 H34 Fe N4 O6 InChI=1S/C35H36N4O6.Fe/c1
    -6-21-17(2)25-13-26-18(3)
    23(8-11-34(42)43)31(37-26
    )16-32-24(9-12-35(44)45)2
    0(5)28(39-32)15-30-22(7-1
    0-33(40)41)19(4)27(38-30)
    14-29(21)36-25;/h6,13-16H
    ,1,7-12H2,2-5H3,(H5,36,37
    ,38,39,40,41,42,43,44,45)
    ;/q;+2/p-2/b25-13-,26-13-
    ,27-14-,28-15-,29-14-,30-
    15-,31-16-,32-16-;;
    WHUQBNXBFVNCIJ-RGGAHWMASA-L    		 Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]
    36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=
    C(C7=C2)C)C=C)C)CCC(=O)O; CC1=C(CCC(O)=O
    )C2=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3CCC
    (O)=O)C(=C6C=C)C)C(=C(CCC(O)=O)C5=CC1=N2
    )C; CC1=C(CCC(O)=O)C2=Cc3n4[Fe][N@]5C(=C
    C6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C
    (CCC(O)=O)C5=CC1=N2)C    		 harderoheme (III)
    39963
    VOW
    ZINC000169743251    		 1 C8 H11 B O3 InChI=1S/C8H11BO3/c1-2-12
    -8-5-3-7(4-6-8)9(10)11/h3
    -6,10-11H,2H2,1H3;
    WRQNDLDUNQMTCL-UHFFFAOYSA-N    		 B(c1ccc(cc1)OCC)(O)O; CCOc1ccc(cc1)B(O)O (4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron
    39964
    VOX    		 7 C35 H52 N6 O6 InChI=1S/C35H52N6O6/c1-23
    -10-15-27(16-11-23)40-41-
    28-17-13-26(14-18-28)8-6-
    4-5-7-9-32(45)39-33(25(3)
    42)35(47)38-30-22-29(43)2
    0-21-36-31(44)19-12-24(2)
    37-34(30)46/h10-11,13-18,
    24-25,29-30,33,40-43H,4-9
    ,12,19-22H2,1-3H3,(H,36,4
    4)(H,37,46)(H,38,47)(H,39
    ,45)/t24-,25+,29-,30-,33-
    /m0/s1;
    RLZPHOGHHZBJIN-RPQORNJFSA-N    		 Cc1ccc(cc1)NNc2ccc(cc2)CCCCCCC(=O)N[C@@H
    ]([C@@H](C)O)C(=O)N[C@H]3C[C@H](CCNC(=O)
    CC[C@@H](NC3=O)C)O; C[C@@H](O)[C@H](NC(=
    O)CCCCCCc1ccc(NNc2ccc(C)cc2)cc1)C(=O)N[C
    @H]3C[C@@H](O)CCNC(=O)CC[C@H](C)NC3=O; C
    c1ccc(cc1)NNc2ccc(cc2)CCCCCCC(=O)NC(C(C)
    O)C(=O)NC3CC(CCNC(=O)CCC(NC3=O)C)O; C[CH
    ](O)[CH](NC(=O)CCCCCCc1ccc(NNc2ccc(C)cc2
    )cc1)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C
    )NC3=O    		 ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide
    39965
    VOY    		 8 C31 H30 N8 O3 InChI=1S/C31H30N8O3/c1-5-
    41-28-16-25-24(15-26(28)3
    7-30(40)7-6-11-38(3)4)31(
    21(17-32)18-33-25)36-22-8
    -9-27(20(2)13-22)42-23-10
    -12-39-29(14-23)34-19-35-
    39/h6-10,12-16,18-19H,5,1
    1H2,1-4H3,(H,33,36)(H,37,
    40)/b7-6+;
    XBWYQGMQBNVPMF-VOTSOKGWSA-N    		 CCOc1cc2ncc(C#N)c(Nc3ccc(Oc4ccn5ncnc5c4)
    c(C)c3)c2cc1NC(=O)/C=C/CN(C)C; CCOc2cc1n
    cc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(
    c(cc3)Oc5cc4ncnn4cc5)C)C#N; CCOc1cc2c(cc
    1NC(=O)C=CCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3
    )C)Oc4ccn5c(c4)ncn5; CCOc1cc2c(cc1NC(=O)
    /C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C)Oc
    4ccn5c(c4)ncn5; CCOc1cc2ncc(C#N)c(Nc3ccc
    (Oc4ccn5ncnc5c4)c(C)c3)c2cc1NC(=O)C=CCN(
    C)C    		 (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
    39966
    VOZ    		 2 C21 H21 N3 O InChI=1S/C21H21N3O/c25-21
    (24-9-1-2-17-12-22-8-7-18
    (17)13-24)20-11-16-6-5-15
    (14-3-4-14)10-19(16)23-20
    /h5-8,10-12,14,23H,1-4,9,
    13H2;
    FOEUSFMNKKBIIE-UHFFFAOYSA-N    		 c1cc(cc2c1cc([nH]2)C(=O)N3CCCc4cnccc4C3)
    C5CC5; O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(cc
    c4c3)C5CC5    		 (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone
    39967
    VP0
    ZINC000000064906    		 1 C13 H15 N O3 InChI=1S/C13H15NO3/c1-9(1
    5)14-7-6-10-4-2-3-5-11(10
    )12(14)8-13(16)17/h2-5,12
    H,6-8H2,1H3,(H,16,17)/t12
    -/m0/s1;
    QZBDYCNMWXWQNV-LBPRGKRZSA-N    		 CC(=O)N1CCc2ccccc2[CH]1CC(O)=O; CC(=O)N1
    CCc2ccccc2[C@@H]1CC(=O)O; CC(=O)N1CCc2cc
    ccc2C1CC(=O)O; CC(=O)N1CCc2ccccc2[C@@H]1
    CC(O)=O; O=C(O)CC1c2ccccc2CCN1C(C)=O    		 [(1S)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
    39968
    VP1    		 1 C15 H11 Cl O2 InChI=1S/C15H11ClO2/c16-1
    5(17)18-9-14-12-7-3-1-5-1
    0(12)11-6-2-4-8-13(11)14/
    h1-8,14H,9H2;
    IRXSLJNXXZKURP-UHFFFAOYSA-N    		 ClC(=O)OCC1c2ccccc2c3ccccc13; c1ccc2c(c1
    )-c3ccccc3C2COC(=O)Cl    		 Fluorenylmethyloxycarbonyl chloride
    39969
    VP2    		 1 C20 H17 F2 N3 O3 InChI=1S/C20H17F2N3O3/c21
    -19(22)12-24-20(26)7-9-27
    -17-4-1-2-5-18(17)28-16-6
    -3-8-25-13-14(11-23)10-15
    (16)25/h1-6,8,10,13,19H,7
    ,9,12H2,(H,24,26);
    PTNLADVCXMBZFS-UHFFFAOYSA-N    		 FC(F)CNC(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C
    #N; FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc
    12)C#N; c1ccc(c(c1)OCCC(=O)NCC(F)F)Oc2cc
    cn3c2cc(c3)C#N    		 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
    39970
    VP3
    CHEMBL3544869
    ZINC000000128838    		 1 C10 H9 F O3 InChI=1S/C10H9FO3/c11-8-3
    -1-7(2-4-8)9(12)5-6-10(13
    )14/h1-4H,5-6H2,(H,13,14);
    WUYWHIAAQYQKPP-UHFFFAOYSA-N    		 OC(=O)CCC(=O)c1ccc(F)cc1; c1cc(ccc1C(=O)
    CCC(=O)O)F; O=C(CCC(=O)O)c1ccc(F)cc1    		 4-(4-fluorophenyl)-4-oxobutanoic acid
    39971
    VP5    		 3 C6 H11 N O5 InChI=1S/C6H11NO5/c8-4-3(
    5(9)10)1-7-2-6(4,11)12/h3
    -4,7-8,11-12H,1-2H2,(H,9,
    10)/t3-,4+/m0/s1;
    VJJFPBNJYGLWRR-IUYQGCFVSA-N    		 C1C(C(C(CN1)(O)O)O)C(=O)O; C1[C@@H]([C@H
    ](C(CN1)(O)O)O)C(=O)O; O[CH]1[CH](CNCC1(
    O)O)C(O)=O; O[C@@H]1[C@H](CNCC1(O)O)C(O)
    =O    		 (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid
    39972
    VP6    		 2 C21 H23 F N4 O2 InChI=1S/C21H23FN4O2/c1-2
    1(2,28)14-6-5-12-8-17(25-
    16(12)9-14)20(27)26-7-3-4
    -13-10-24-19(23)18(22)15(
    13)11-26/h5-6,8-10,25,28H
    ,3-4,7,11H2,1-2H3,(H2,23,
    24);
    GKQSKUWMVJZQIF-UHFFFAOYSA-N    		 CC(C)(c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(
    c(c4C3)F)N)O; CC(C)(O)c1ccc2cc([nH]c2c1)
    C(=O)N3CCCc4cnc(N)c(F)c4C3    		 (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone
    39973
    VP7
    CHEMBL2334586
    ZINC000095589024    		 2 C20 H20 N4 O InChI=1S/C20H20N4O/c1-20(
    2,25)9-8-12-6-7-15-14(10-
    12)17-16(23-15)5-3-4-13-1
    1-22-19(21)24-18(13)17/h6
    -7,10-11,23,25H,3-5H2,1-2
    H3,(H2,21,22,24);
    DGLFSNZWRYADFC-UHFFFAOYSA-N    		 n1cc2c(nc1N)c3c(CCC2)nc4c3cc(C#CC(C)(C)O
    )cc4; CC(C)(O)C#Cc1ccc2[nH]c3CCCc4cnc(N)
    nc4c3c2c1; CC(C)(C#Cc1ccc2c(c1)c-3c([nH]
    2)CCCc4c3nc(nc4)N)O    		 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol
    39974
    VP8
    ZINC000169743510    		 0 C8 H11 B O3 InChI=1S/C8H11BO3/c1-2-12
    -8-5-3-4-7(6-8)9(10)11/h3
    -6,10-11H,2H2,1H3;
    CHCWUTJYLUBETR-UHFFFAOYSA-N    		 B(c1cccc(c1)OCC)(O)O; CCOc1cccc(c1)B(O)O (3-ethoxyphenyl)boronic acid
    39975
    VP9    		 1 C14 H13 N3 O5 InChI=1S/C14H13N3O5/c1-22
    -8-4-2-6(15)10-11(8)14(21
    )17(13(10)20)7-3-5-9(18)1
    6-12(7)19/h2,4,7H,3,5,15H
    2,1H3,(H,16,18,19)/t7-/m0
    /s1;
    JQKAGYPIPZUGHW-ZETCQYMHSA-N    		 COc1ccc(c2c1C(=O)N(C2=O)[C@H]3CCC(=O)NC3
    =O)N; COc1ccc(N)c2C(=O)N([C@H]3CCC(=O)NC
    3=O)C(=O)c12; COc1ccc(N)c2C(=O)N([CH]3CC
    C(=O)NC3=O)C(=O)c12; COc1ccc(c2c1C(=O)N(
    C2=O)C3CCC(=O)NC3=O)N    		 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione
    39976
    VPA
    ZINC000098209533    		 3 C19 H28 N2 O9 InChI=1S/C19H28N2O9/c20-1
    2(6-9-4-2-1-3-5-9)21-18-1
    6(26)15(25)14(24)11(30-18
    )8-29-19-17(27)13(23)10(2
    2)7-28-19/h1-5,10-11,13-1
    9,22-27H,6-8H2,(H2,20,21)
    /t10-,11-,13+,14-,15+,16-
    ,17-,18-,19+/m1/s1;
    SKGTWJNDCFMXKU-GZDQRYBESA-N    		 O[CH]1CO[CH](OC[CH]2O[CH](NC(=N)Cc3ccccc
    3)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; O[
    C@@H]1CO[C@@H](OC[C@H]2O[C@@H](NC(=N)Cc3
    ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O
    )[C@H]1O; c1ccc(cc1)CC(=N)NC2C(C(C(C(O2)
    COC3C(C(C(CO3)O)O)O)O)O)O; [H]/N=C(\Cc1c
    cccc1)/N[C@H]2[C@@H]([C@H]([C@@H]([C@H](
    O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O
    )O)O)O; O(CC2OC(NC(=[N@H])Cc1ccccc1)C(O)
    C(O)C2O)C3OCC(O)C(O)C3O    		 2-phenyl-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)ethylamidine;
    2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]e thanimidamide
    39977
    VPB    		 1 C22 H21 N3 O4 InChI=1S/C22H21N3O4/c23-1
    5-17-14-18-19(6-3-8-25(18
    )16-17)29-21-5-2-1-4-20(2
    1)28-11-7-22(26)24-9-12-2
    7-13-10-24/h1-6,8,14,16H,
    7,9-13H2;
    QXEAIZYIBWVAEX-UHFFFAOYSA-N    		 O=C(CCOc1ccccc1Oc2cccn3cc(cc23)C#N)N4CCO
    CC4; O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)
    N1CCOCC1; c1ccc(c(c1)OCCC(=O)N2CCOCC2)Oc
    3cccn4c3cc(c4)C#N    		 (4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
    39978
    VPC    		 2 C32 H16 Ga N8 InChI=1S/C32H16N8.Ga/c1-2
    -10-18-17(9-1)25-33-26(18
    )38-28-21-13-5-6-14-22(21
    )30(35-28)40-32-24-16-8-7
    -15-23(24)31(36-32)39-29-
    20-12-4-3-11-19(20)27(34-
    29)37-25;/h1-16H;/q-2;+2;
    WBSOKGMOXCALAG-UHFFFAOYSA-N    		 c1ccc2c(c1)c3n4c2N=C5c6ccccc6C7=[N]5[Ga]
    48N9C(=NC1=[N]8C(=N3)c2c1cccc2)c1ccccc1C
    9=N7; [Ga]1N2C3=NC4=NC(=Nc5n1c(N=C6N=C(N
    =C2c7ccccc37)c8ccccc68)c9ccccc59)c%10ccc
    cc4%10    		 Phthalocyanine containing GA;
    Gallium(III)-phthalocyanine
    39979
    VPD
    CHEMBL4764985    		 4 C19 H29 Cl N5 O9 P InChI=1S/C19H29ClN5O9P/c1
    -32-9-19(8-26,35(29,30)31
    )33-7-12-13(27)14(28)17(3
    4-12)25-16-11(6-21-25)15(
    23-18(20)24-16)22-10-4-2-
    3-5-10/h6,10,12-14,17,26-
    28H,2-5,7-9H2,1H3,(H,22,2
    3,24)(H2,29,30,31)/t12-,1
    3-,14-,17-,19-/m1/s1;
    BQCRMLSBGAKPFW-RTPDKIPNSA-N    		 COCC(CO)(OCC1C(C(C(O1)n2c3c(cn2)c(nc(n3)
    Cl)NC4CCCC4)O)O)P(=O)(O)O; COC[C@](CO)(O
    C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2ncc3c(N
    C4CCCC4)nc(Cl)nc23)[P](O)(O)=O; C(CO)(OC
    C1C(C(C(O1)n4c2c(c(nc(Cl)n2)NC3CCCC3)cn4
    )O)O)(COC)P(=O)(O)O; COC[C](CO)(OC[CH]1O
    [CH]([CH](O)[CH]1O)n2ncc3c(NC4CCCC4)nc(C
    l)nc23)[P](O)(O)=O; COC[C@](CO)(OC[C@@H]
    1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3
    )Cl)NC4CCCC4)O)O)P(=O)(O)O    		 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    OP-0105244
    39980
    VPE
    ZINC000000544774    		 2 C9 H12 N2 O3 S InChI=1S/C9H12N2O3S/c1-6(
    5-8(13)14)4-7(12)11-9-10-
    2-3-15-9/h2-3,6H,4-5H2,1H
    3,(H,13,14)(H,10,11,12)/t
    6-/m0/s1;
    XBVSCWDDCLBNGM-LURJTMIESA-N    		 C[C@@H](CC(=O)Nc1nccs1)CC(=O)O; O=C(CC(C
    )CC(=O)O)Nc1nccs1; CC(CC(=O)Nc1nccs1)CC(
    =O)O; C[C@H](CC(O)=O)CC(=O)Nc1sccn1; C[C
    H](CC(O)=O)CC(=O)Nc1sccn1    		 (3S)-3-methyl-5-oxo-5-[(1,3-thiazol-2-yl)amino]pentanoic acid
    39981
    VPF
    ZINC000098209534    		 2 C22 H32 N3 O8 P InChI=1S/C22H32N3O8P/c1-1
    4(2)20(23-17(26)10-11-19(
    27)28)22(30)25-12-6-9-16(
    25)21(29)24-18(34(31,32)3
    3)13-15-7-4-3-5-8-15/h3-5
    ,7-8,14,16,18,20H,6,9-13H
    2,1-2H3,(H,23,26)(H,24,29
    )(H,27,28)(H2,31,32,33)/t
    16-,18-,20-/m0/s1;
    KPGFVOVOBVGIMY-QRFRQXIXSA-N    		 CC(C)C(C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)P(=
    O)(O)O)NC(=O)CCC(=O)O; CC(C)[C@H](NC(=O)
    CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2
    ccccc2)[P](O)(O)=O; CC(C)[C@@H](C(=O)N1C
    CC[C@H]1C(=O)N[C@H](Cc2ccccc2)P(=O)(O)O)
    NC(=O)CCC(=O)O; CC(C)[CH](NC(=O)CCC(O)=O
    )C(=O)N1CCC[CH]1C(=O)N[CH](Cc2ccccc2)[P]
    (O)(O)=O; O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N
    (C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2    		 N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide
    39982
    VPG
    CHEMBL4785716    		 2 C18 H20 Cl2 N5 O7 P InChI=1S/C18H20Cl2N5O7P/c
    19-11-4-2-1-3-9(11)5-21-1
    5-10-6-22-25(16(10)24-18(
    20)23-15)17-14(27)13(26)1
    2(32-17)7-31-8-33(28,29)3
    0/h1-4,6,12-14,17,26-27H,
    5,7-8H2,(H,21,23,24)(H2,2
    8,29,30)/t12-,13-,14-,17-
    /m1/s1;
    VAGWGCSOWAKFTM-VMUDFCTBSA-N    		 c1ccc(c(c1)CNc2c3cnn(c3nc(n2)Cl)C4C(C(C(
    O4)COCP(=O)(O)O)O)O)Cl; c1ccc(c(c1)CNc2c
    3cnn(c3nc(n2)Cl)[C@H]4[C@@H]([C@@H]([C@H
    ](O4)COCP(=O)(O)O)O)O)Cl; O[C@H]1[C@@H](
    O)[C@@H](O[C@@H]1COC[P](O)(O)=O)n2ncc3c(
    NCc4ccccc4Cl)nc(Cl)nc23; c1(c(cccc1)CNc2
    c3c(nc(n2)Cl)n(nc3)C4C(C(C(COCP(=O)(O)O)
    O4)O)O)Cl; O[CH]1[CH](O)[CH](O[CH]1COC[P
    ](O)(O)=O)n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc2
    3    		 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    39983
    VPH    		 1 C8 H14 O6 InChI=1S/C8H14O6/c1-13-8(
    12)5-2-4(10)7(11)6(3-9)14
    -5/h4-7,9-11H,2-3H2,1H3/t
    4-,5-,6-,7-/m1/s1;
    GCROCZNWGKBWPY-DBRKOABJSA-N    		 COC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C
    O)O1; COC(=O)[CH]1C[CH](O)[CH](O)[CH](CO
    )O1; COC(=O)C1CC(C(C(O1)CO)O)O; COC(=O)[
    C@H]1C[C@H]([C@H]([C@H](O1)CO)O)O    		 methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate
    39984
    VPI    		 2 C17 H34 N3 O8 P InChI=1S/C17H34N3O8P/c1-1
    3(21)18-9-6-4-5-7-10-19-1
    4(22)8-11-20-16(24)15(23)
    17(2,3)12-28-29(25,26)27/
    h15,23H,4-12H2,1-3H3,(H,1
    8,21)(H,19,22)(H,20,24)(H
    2,25,26,27)/t15-/m0/s1;
    KSMJRHVJQGTOAX-HNNXBMFYSA-N    		 CC(=O)NCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C
    )COP(=O)(O)O)O; CC(=O)NCCCCCCNC(=O)CCNC(
    =O)[C@H](O)C(C)(C)CO[P](O)(O)=O; CC(=O)N
    CCCCCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O
    )O; CC(=O)NCCCCCCNC(=O)CCNC(=O)[CH](O)C(
    C)(C)CO[P](O)(O)=O    		 [(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
    39985
    VPJ    		 1 C17 H19 F N8 O S2 InChI=1S/C17H19FN8OS2/c18
    -10-3-5-11(6-4-10)21-15-2
    3-13(22-14(19)24-15)9-28-
    17-26-25-16(29-17)20-8-12
    -2-1-7-27-12/h3-6,12H,1-2
    ,7-9H2,(H,20,25)(H3,19,21
    ,22,23,24);
    YMCUEXLWILKXTO-UHFFFAOYSA-N    		 c1cc(ccc1Nc2nc(nc(n2)N)CSc3nnc(s3)NCC4CC
    CO4)F; Nc1nc(CSc2sc(NCC3CCCO3)nn2)nc(Nc4
    ccc(F)cc4)n1; c2(NCC1CCCO1)nnc(s2)SCc4nc
    (Nc3ccc(cc3)F)nc(n4)N    		 N~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
    39986
    VPK
    ZINC000001668824    		 2 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c1-2-1
    2-8(11)10-7-4-3-5-9-6-7/h
    3-6H,2H2,1H3,(H,10,11);
    YLRSARVOZNPQKX-UHFFFAOYSA-N    		 CCOC(=O)Nc1cccnc1; O=C(OCC)Nc1cccnc1 ethyl pyridin-3-ylcarbamate
    39987
    VPL    		 1 C7 H13 N O5 InChI=1S/C7H13NO5/c8-7(12
    )4-1-3(10)6(11)5(2-9)13-4
    /h3-6,9-11H,1-2H2,(H2,8,1
    2)/t3-,4-,5-,6-/m1/s1;
    XSQZVCXBAGPICS-KVTDHHQDSA-N    		 C1[C@H]([C@H]([C@H](O[C@H]1C(=O)N)CO)O)O
    ; C1C(C(C(OC1C(=O)N)CO)O)O; NC(=O)[CH]1C
    [CH](O)[CH](O)[CH](CO)O1; NC(=O)[C@H]1C[
    C@@H](O)[C@@H](O)[C@@H](CO)O1    		 (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide
    39988
    VPM
    ZINC000000389562    		 1 C7 H12 O5 InChI=1S/C7H12O5/c1-4(2)7
    (12,6(10)11)3-5(8)9/h4,12
    H,3H2,1-2H3,(H,8,9)(H,10,
    11)/t7-/m0/s1;
    BITYXLXUCSKTJS-ZETCQYMHSA-N    		 CC(C)C(CC(=O)O)(C(=O)O)O; CC(C)[C@@](CC(
    =O)O)(C(=O)O)O; CC(C)[C@@](O)(CC(O)=O)C(
    O)=O; CC(C)[C](O)(CC(O)=O)C(O)=O; O=C(O)
    C(O)(CC(=O)O)C(C)C    		 (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid
    39989
    VPN    		 11 C45 H83 Br4 O13 P InChI=1S/C45H83Br4O13P/c1
    -3-5-7-9-13-19-25-34(46)3
    6(48)27-21-15-11-17-23-29
    -38(50)59-31-33(32-60-63(
    57,58)62-45-43(55)41(53)4
    0(52)42(54)44(45)56)61-39
    (51)30-24-18-12-16-22-28-
    37(49)35(47)26-20-14-10-8
    -6-4-2/h33-37,40-45,52-56
    H,3-32H2,1-2H3,(H,57,58)/
    t33-,34-,35?,36+,37?,40-,
    41-,42+,43+,44+,45-/m0/s1;
    CXUUJLFCERQNTC-GLNOFRAPSA-N    		 CCCCCCCC[C@@H]([C@@H](CCCCCCCC(=O)OC[C@@
    H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@
    H]1O)O)O)O)O)OC(=O)CCCCCCCC(C(CCCCCCCC)B
    r)Br)Br)Br; CCCCCCCC[CH](Br)[CH](Br)CCCC
    CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)
    [CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCC
    CC(Br)C(Br)CCCCCCCC; CCCCCCCC[C@H](Br)[C
    @H](Br)CCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)
    O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O
    )[C@H]1O)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC
    ; CCCCCCCCC(C(CCCCCCCC(=O)OCC(COP(=O)(O)
    OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC(C(
    CCCCCCCC)Br)Br)Br)Br; OP(=O)(OC1C(O)C(O)
    C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)
    CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC    		 (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate
    39990
    VPP
    ZINC000098209535    		 4 C23 H29 N5 O8 S InChI=1S/C23H29N5O8S/c1-4
    -27-10-11-28(19(31)18(27)
    30)22(36)25-13(12-8-6-5-7
    -9-12)16(29)24-14(20(32)3
    3)17-26-15(21(34)35)23(2,
    3)37-17/h5-9,13-15,17,26H
    ,4,10-11H2,1-3H3,(H,24,29
    )(H,25,36)(H,32,33)(H,34,
    35)/t13-,14+,15+,17+/m1/s
    1;
    OKSUEATVFIVTFV-AESZEHBQSA-N    		 CCN1CCN(C(=O)N[CH](C(=O)N[CH]([CH]2N[CH]
    (C(O)=O)C(C)(C)S2)C(O)=O)c3ccccc3)C(=O)C
    1=O; CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc
    cc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)
    C(=O)O)C(=O)O; O=C(NC(C(=O)O)C1SC(C(N1)C
    (=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)
    N(CC)CC3; CCN1CCN(C(=O)N[C@@H](C(=O)N[C@
    @H]([C@H]2N[C@@H](C(O)=O)C(C)(C)S2)C(O)=
    O)c3ccccc3)C(=O)C1=O; CCN1CCN(C(=O)C1=O)
    C(=O)NC(c2ccccc2)C(=O)NC(C3NC(C(S3)(C)C)
    C(=O)O)C(=O)O    		 (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
    (5S)-Penicilloic Acid
    39991
    VPQ    		 1 C7 H13 N O6 InChI=1S/C7H13NO6/c8-7(13
    )6-5(12)4(11)3(10)2(1-9)1
    4-6/h2-6,9-12H,1H2,(H2,8,
    13)/t2-,3-,4+,5+,6-/m1/s1;
    UKWLGCFJAVEFPE-RWOPYEJCSA-N    		 NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
    ; NC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](
    O)[C@@H]1O; C(C1C(C(C(C(O1)C(=O)N)O)O)O)
    O; C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O
    1)C(=O)N)O)O)O)O    		 (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide
    39992
    VPR
    CHEMBL93836
    DB04165
    ZINC000000002238    		 7 C8 H17 N O InChI=1S/C8H17NO/c1-3-5-7
    (6-4-2)8(9)10/h7H,3-6H2,1
    -2H3,(H2,9,10);
    OMOMUFTZPTXCHP-UHFFFAOYSA-N    		 O=C(N)C(CCC)CCC; CCCC(CCC)C(=O)N; CCCC(C
    CC)C(N)=O    		 2-PROPYLPENTANAMIDE;
    VALPROMIDE
    39993
    VPS    		 1 C17 H12 N6 O3 InChI=1S/C17H12N6O3/c18-9
    -10-4-6-12(7-5-10)20-16-2
    1-15(19)22-17(23-16)26-13
    -3-1-2-11(8-13)14(24)25/h
    1-8H,(H,24,25)(H3,19,20,2
    1,22,23);
    WKFGNLUJVJDVRJ-UHFFFAOYSA-N    		 Nc1nc(Nc2ccc(cc2)C#N)nc(Oc3cccc(c3)C(O)=
    O)n1; c2(nc(Nc1ccc(cc1)C#N)nc(n2)Oc3cccc
    (C(O)=O)c3)N; c1cc(cc(c1)Oc2nc(nc(n2)Nc3
    ccc(cc3)C#N)N)C(=O)O    		 3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid
    39994
    VPT    		 2 C20 H20 N6 O8 S InChI=1S/C20H20N6O8S/c1-2
    -6-32-12-5-3-4-11(7-12)19
    (29)25-35(30,31)33-8-13-1
    5(27)16(28)20(34-13)26-10
    -24-14-17(21)22-9-23-18(1
    4)26/h1,3-5,7,9-10,13,15-
    16,20,27-28H,6,8H2,(H,25,
    29)(H2,21,22,23)/t13-,15-
    ,16-,20-/m1/s1;
    CEBNTACPQUEIBR-KHTYJDQRSA-N    		 C#CCOc1cccc(c1)C(=O)NS(=O)(=O)OCC2C(C(C(
    O2)n3cnc4c3ncnc4N)O)O; Nc1ncnc2n(cnc12)[
    CH]3O[CH](CO[S](=O)(=O)NC(=O)c4cccc(OCC#
    C)c4)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@
    H]3O[C@H](CO[S](=O)(=O)NC(=O)c4cccc(OCC#
    C)c4)[C@@H](O)[C@H]3O; C#CCOc1cccc(c1)C(
    =O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H]
    (O2)n3cnc4c3ncnc4N)O)O    		 [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-prop-2-ynoxyphenyl)carbonylsulfamate
    39995
    VPU
    CHEMBL256732
    DB08704
    ZINC000035859848    		 1 C18 H25 N3 O7 InChI=1S/C18H25N3O7/c1-2-
    3-9-13(23)20-14-16(25)15(
    24)12(10-22)27-17(14)21-2
    8-18(26)19-11-7-5-4-6-8-1
    1/h4-8,12,14-16,22,24-25H
    ,2-3,9-10H2,1H3,(H,19,26)
    (H,20,23)/b21-17-/t12-,14
    -,15-,16-/m1/s1;
    NUNQIQQEEPOGDJ-JDOAOKHLSA-N    		 CCCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C
    1=N\OC(=O)Nc2ccccc2)CO)O)O; O=C(O\N=C1/O
    C(CO)C(O)C(O)C1NC(=O)CCCC)Nc2ccccc2; CCC
    CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NO
    C(=O)Nc2ccccc2; CCCCC(=O)NC1C(C(C(OC1=NO
    C(=O)Nc2ccccc2)CO)O)O; CCCCC(=O)N[C@@H]\
    1[C@@H](O)[C@H](O)[C@@H](CO)OC\1=N\OC(=O
    )Nc2ccccc2    		 [[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate;
    N-Valeryl-PUGNAc
    39996
    VPV    		 0 C13 H22 N2 O7 InChI=1S/C13H22N2O7/c14-9
    (12(19)20)3-1-2-6-15-10(1
    3(21)22)7-8(16)4-5-11(17)
    18/h8-9,16H,1-7,14H2,(H,1
    7,18)(H,19,20)(H,21,22)/b
    15-10+/t8-,9+/m1/s1;
    SZZIBLQGBUJBOW-SFBSIPHCSA-N    		 C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O
    )O; C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O
    )C[C@@H](C(=O)O)N; C(CCN=C(CC(CCC(=O)O)O
    )C(=O)O)CC(C(=O)O)N; N[C@@H](CCCCN=C(C[C
    @H](O)CCC(O)=O)C(O)=O)C(O)=O; N[CH](CCCC
    N=C(C[CH](O)CCC(O)=O)C(O)=O)C(O)=O    		 (2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
    39997
    VPW
    CHEMBL101664
    ZINC000000155174    		 1 C11 H12 Cl N InChI=1S/C11H12ClN/c12-11
    -3-1-9(2-4-11)10-5-7-13-8
    -6-10/h1-5,13H,6-8H2;
    SXOMHACGFSJBIO-UHFFFAOYSA-N    		 c1cc(ccc1C2=CCNCC2)Cl; Clc1ccc(cc1)C2=CC
    NCC2; Clc1ccc(cc1)C1=CCNCC1    		 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
    39998
    VPX
    CHEMBL493982
    DB09030
    ZINC000003925861    		 1 C29 H33 F N2 O4 InChI=1S/C29H33FN2O4/c1-3
    -35-29(34)32-23-10-11-24-
    20(14-23)15-26-27(17(2)36
    -28(26)33)25(24)12-9-22-8
    -7-19(16-31-22)18-5-4-6-2
    1(30)13-18/h4-9,12-13,16-
    17,20,23-27H,3,10-11,14-1
    5H2,1-2H3,(H,32,34)/b12-9
    +/t17-,20+,23-,24-,25+,26
    -,27+/m1/s1;
    ZBGXUVOIWDMMJE-QHNZEKIYSA-N    		 CCOC(=O)NC1CCC2C(C1)CC3C(C2C=Cc4ccc(cn4)
    c5cccc(c5)F)C(OC3=O)C; CCOC(=O)N[CH]1CC[
    CH]2[CH](C1)C[CH]3[CH]([CH](C)OC3=O)[CH]
    2C=Cc4ccc(cn4)c5cccc(F)c5; Fc1cccc(c1)c2
    ccc(nc2)\C=C\C4C3C(CC(NC(=O)OCC)CC3)CC5C
    (=O)OC(C45)C; CCOC(=O)N[C@@H]1CC[C@@H]2[
    C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(
    cn4)c5cccc(c5)F)[C@H](OC3=O)C; CCOC(=O)N
    [C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]
    ([C@@H](C)OC3=O)[C@H]2\C=C\c4ccc(cn4)c5c
    ccc(F)c5    		 ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate;
    vorapaxar
    39999
    VPY
    ZINC000027645633    		 2 C23 H38 O3 S InChI=1S/C23H38O3S/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-17-18-19-23(26)2
    7-21-22(25)20-24/h6-7,9-1
    0,12-13,15-16,22,24-25H,2
    -5,8,11,14,17-21H2,1H3/b7
    -6-,10-9-,13-12-,16-15-/t
    22-/m1/s1;
    UUOPRYPOAXYNLX-NZRYSPDRSA-N    		 CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCC(CO)O; CC
    CCCC=CCC=CCC=CCC=CCCCC(=O)SC[CH](O)CO; C
    CCCC\C=C/C\C=C/C/C=C\C\C=C/CCCC(=O)SC[C@
    H](O)CO; S(C(=O)CCC[C@H]=CC[C@H]=CCC=[C@
    H]C[C@H]=[C@H]CCCCC)CC(O)CO; CCCCC/C=C\C
    /C=C\C/C=C\C/C=C\CCCC(=O)SC[C@@H](CO)O    		 S-[(2R)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate
    40000
    VPZ    		 2 C17 H15 Cl2 F N4 O4 S2 InChI=1S/C17H15Cl2FN4O4S2
    /c18-8-3-7(4-9(19)12(8)20
    )30-17-15(27)13(14(26)11(
    6-25)28-17)24-5-10(22-23-
    24)16-21-1-2-29-16/h1-5,1
    1,13-15,17,25-27H,6H2/t11
    -,13+,14+,15-,17-/m1/s1;
    QJQNWNOQNZZJCB-YNIRGQLTSA-N    		 c1csc(n1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@
    @H]([C@@H]3O)Sc4cc(c(c(c4)Cl)F)Cl)CO)O;
    c1csc(n1)c2cn(nn2)C3C(C(OC(C3O)Sc4cc(c(c
    (c4)Cl)F)Cl)CO)O; OC[C@H]1O[C@H](Sc2cc(C
    l)c(F)c(Cl)c2)[C@H](O)[C@H]([C@H]1O)n3cc
    (nn3)c4sccn4; OC[CH]1O[CH](Sc2cc(Cl)c(F)
    c(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4sc
    cn4    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol
    Reference:
    • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
    • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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