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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    40401 VBT
    CHEMBL5220253
    ZINC000000403189    		 1 C6 H2 Cl2 F N O2 InChI=1S/C6H2Cl2FNO2/c7-4
    -2(6(11)12)1-3(9)5(8)10-4
    /h1H,(H,11,12);
    LTDGKGCHRNNCAC-UHFFFAOYSA-N    		 OC(=O)c1cc(F)c(Cl)nc1Cl; c1c(c(nc(c1F)Cl
    )Cl)C(=O)O    		 2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid
    40402 VBU 1 C18 H19 Cl N4 InChI=1S/C18H19ClN4/c1-22
    -8-10-23(11-9-22)18-14-4-
    2-3-5-15(14)20-16-7-6-13(
    19)12-17(16)21-18/h2-7,12
    ,20H,8-11H2,1H3;
    QZUDBNBUXVUHMW-UHFFFAOYSA-N    		 CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl; C
    N1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24    		 Clozapine;
    3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine
    40403 VBV
    ZINC000001866983    		 2 C12 H10 O6 S2 InChI=1S/C12H10O6S2/c13-1
    9(14,15)11-5-1-9(2-6-11)1
    0-3-7-12(8-4-10)20(16,17)
    18/h1-8H,(H,13,14,15)(H,1
    6,17,18);
    ABSXMLODUTXQDJ-UHFFFAOYSA-N    		 O[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)[S](O)(=
    O)=O; O=S(c2ccc(c1ccc(cc1)S(O)(=O)=O)cc2
    )(=O)O; c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(
    =O)(=O)O    		 [1,1'-biphenyl]-4,4'-disulfonic acid
    40404 VBW
    CHEMBL5220089
    ZINC000008616811    		 1 C10 H8 F N O InChI=1S/C10H8FNO/c1-6-4-
    10(13)8-5-7(11)2-3-9(8)12
    -6/h2-5H,1H3,(H,12,13);
    BKXCHVFCJZJATJ-UHFFFAOYSA-N    		 Cc1cc(c2cc(ccc2n1)F)O; Cc1cc(O)c2cc(F)cc
    c2n1    		 6-fluoranyl-2-methyl-quinolin-4-ol
    40405 VBX
    ZINC000012505540    		 1 C11 H15 N3 O2 InChI=1S/C11H15N3O2/c1-12
    -10(15)7-14-9-6-4-3-5-8(9
    )11(16)13-2/h3-6,14H,7H2,
    1-2H3,(H,12,15)(H,13,16);
    RWJCHFUFXBULGJ-UHFFFAOYSA-N    		 CNC(=O)CNc1ccccc1C(=O)NC; CNC(=O)c1ccccc
    1NCC(=O)NC    		 N-methyl-2-{[2-(methylamino)-2-oxoethyl]amino}benzamide
    40406 VBY
    CHEMBL5172181    		 2 C23 H22 N2 O2 InChI=1S/C23H22N2O2/c1-4-
    22(26)25-18-13-12-15(2)21
    (14-18)23(27)24-16(3)19-1
    1-7-9-17-8-5-6-10-20(17)1
    9/h4-14,16H,1H2,2-3H3,(H,
    24,27)(H,25,26)/t16-/m1/s
    1;
    QMJFETCLZITVFG-MRXNPFEDSA-N    		 C[C@@H](NC(=O)c1cc(NC(=O)C=C)ccc1C)c2ccc
    c3ccccc23; Cc1ccc(cc1C(=O)NC(C)c2cccc3c2
    cccc3)NC(=O)C=C; C[CH](NC(=O)c1cc(NC(=O)
    C=C)ccc1C)c2cccc3ccccc23; C(c1c(ccc(c1)N
    C(\C=C)=O)C)(NC(c3cccc2c3cccc2)C)=O; Cc1
    ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=
    O)C=C    		 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
    40407 VBZ
    ZINC000016052629    		 2 C15 H21 N O4 InChI=1S/C15H21NO4/c17-8-
    11-6-12-13(18)14(19)15(11
    ,20)9-16(12)7-10-4-2-1-3-
    5-10/h1-5,11-14,17-20H,6-
    9H2/t11-,12-,13-,14-,15-/
    m1/s1;
    XOLGFLJPIWWVBX-KJWHEZOQSA-N    		 OC[C@H]1C[C@@H]2[C@@H](O)[C@@H](O)[C@@]1
    (O)CN2Cc3ccccc3; OCC2CC3N(Cc1ccccc1)CC2(
    O)C(O)C3O; c1ccc(cc1)CN2CC3(C(CC2C(C3O)O
    )CO)O; c1ccc(cc1)C[N@]2C[C@]3([C@H](C[C@
    @H]2[C@H]([C@H]3O)O)CO)O; OC[CH]1C[CH]2[
    CH](O)[CH](O)[C]1(O)CN2Cc3ccccc3    		 (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol
    40408 VC1
    CHEMBL4159086    		 1 C23 H20 Cl F O4 InChI=1S/C23H20ClFO4/c1-2
    9-23(28)21-18(22(24)20(27
    )13-19(21)26)11-8-15-4-2-
    3-5-16(15)12-14-6-9-17(25
    )10-7-14/h2-7,9-10,13,26-
    27H,8,11-12H2,1H3;
    IJGOZBLFBZMVDS-UHFFFAOYSA-N    		 Oc1c(c(c(c(c1)O)Cl)CCc2ccccc2Cc3ccc(cc3)
    F)C(OC)=O; COC(=O)c1c(O)cc(O)c(Cl)c1CCc2
    ccccc2Cc3ccc(F)cc3; COC(=O)c1c(cc(c(c1CC
    c2ccccc2Cc3ccc(cc3)F)Cl)O)O    		 methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate
    40409 VC2
    CHEMBL5176024
    ZINC000219081868    		 1 C9 H15 N O2 S3 InChI=1S/C9H15NO2S3/c1-9(
    2)7(8(11)12)10-5(3-13)14-
    4-6(10)15-9/h5-7,13H,3-4H
    2,1-2H3,(H,11,12)/t5-,6+,
    7-/m0/s1;
    IKSIYRPSHTUWIX-XVMARJQXSA-N    		 CC1(C(N2C(S1)CSC2CS)C(=O)O)C; CC1([C@@H]
    (N2[C@H](S1)CS[C@H]2CS)C(=O)O)C; CC1(C)S
    [CH]2CS[CH](CS)N2[CH]1C(O)=O; CC1(C)S[C@
    @H]2CS[C@@H](CS)N2[C@H]1C(O)=O; O=C(O)C1
    N2C(SCC2SC1(C)C)CS    		 (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
    40410 VC3
    CHEMBL264950
    DB08695
    ZINC000003884177    		 1 C9 H7 N3 O2 InChI=1S/C9H7N3O2/c13-12(
    14)8-3-1-7(2-4-8)9-5-6-10
    -11-9/h1-6H,(H,10,11);
    IPIYADCDDIUVPS-UHFFFAOYSA-N    		 c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-]; [O-][N
    +](=O)c1ccc(cc1)c2cc[nH]n2; [O-][N+](=O)
    c2ccc(c1nncc1)cc2    		 3-(4-nitrophenyl)-1H-pyrazole
    40411 VC4 2 C22 H20 Cl N O4 InChI=1S/C22H20ClNO4/c1-2
    8-22(27)20-16(21(23)19(26
    )13-18(20)25)10-9-15-8-5-
    11-24-17(15)12-14-6-3-2-4
    -7-14/h2-8,11,13,25-26H,9
    -10,12H2,1H3;
    XODLEZWUEQKVLO-UHFFFAOYSA-N    		 COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl
    )O)O; COC(=O)c1c(O)cc(O)c(Cl)c1CCc2cccnc
    2Cc3ccccc3; Oc1cc(O)c(c(c1C(=O)OC)CCc3c(
    Cc2ccccc2)nccc3)Cl    		 methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
    40412 VC5 2 C23 H21 Cl O4 InChI=1S/C23H21ClO4/c1-28
    -23(27)21-18(22(24)20(26)
    14-19(21)25)12-11-16-9-5-
    6-10-17(16)13-15-7-3-2-4-
    8-15/h2-10,14,25-26H,11-1
    3H2,1H3;
    RHHYIPFMHURXDZ-UHFFFAOYSA-N    		 Oc3cc(O)c(Cl)c(CCc1c(cccc1)Cc2ccccc2)c3C
    (OC)=O; COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3c
    cccc3)Cl)O)O; COC(=O)c1c(O)cc(O)c(Cl)c1C
    Cc2ccccc2Cc3ccccc3    		 methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate
    40413 VC6 1 C10 H16 Cl F N3 O12 P3 InChI=1S/C10H16ClFN3O12P3
    /c11-10(12,28(18,19)20)29
    (21,22)27-30(23,24)25-4-6
    -5(16)3-8(26-6)15-2-1-7(1
    3)14-9(15)17/h1-2,5-6,8,1
    6H,3-4H2,(H,21,22)(H,23,2
    4)(H2,13,14,17)(H2,18,19,
    20)/t5-,6-,8+,10+/m0/s1;
    KEKPFSDJAHISFV-VBOXYBSHSA-N    		 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O
    )(C(F)(P(=O)(O)O)Cl)O)O; C1[C@@H]([C@@H]
    (O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)
    ([C@](F)(P(=O)(O)O)Cl)O)O; NC1=NC(=O)N(C
    =C1)[C@H]2C[C@H](O)[C@H](CO[P](O)(=O)O[P
    ](O)(=O)[C@@](F)(Cl)[P](O)(O)=O)O2; C=1(
    N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP
    (O)(C(Cl)(P(O)(O)=O)F)=O; NC1=NC(=O)N(C=
    C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)
    (=O)[C](F)(Cl)[P](O)(O)=O)O2    		 4-amino-1-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one
    40414 VC7 0 C11 H16 N5 O7 P InChI=1S/C11H16N5O7P/c1-2
    4(20,21)22-2-4-6(17)7(18)
    10(23-4)16-3-13-5-8(16)14
    -11(12)15-9(5)19/h3-4,6-7
    ,10,17-18H,2H2,1H3,(H,20,
    21)(H3,12,14,15,19)/t4-,6
    -,7-,10-/m1/s1;
    ZRTURURJQQBKIB-KQYNXXCUSA-N    		 CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)
    n2cnc3c2N=C(NC3=O)N)O)O; CP(=O)(O)OCC1C(
    C(C(O1)n2cnc3c2N=C(NC3=O)N)O)O; C[P](O)(
    =O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O
    )NC(=Nc23)N; C1(C(C(O)C(COP(C)(=O)O)O1)O
    )n3c2N=C(N)NC(c2nc3)=O; C[P](O)(=O)OC[C@
    H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC
    (=Nc23)N    		 5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine
    40415 VC8 1 C10 H16 Cl2 N3 O12 P3 InChI=1S/C10H16Cl2N3O12P3
    /c11-10(12,28(18,19)20)29
    (21,22)27-30(23,24)25-4-6
    -5(16)3-8(26-6)15-2-1-7(1
    3)14-9(15)17/h1-2,5-6,8,1
    6H,3-4H2,(H,21,22)(H,23,2
    4)(H2,13,14,17)(H2,18,19,
    20)/t5-,6-,8+/m0/s1;
    UVMWAJJREHNIPG-VMHSAVOQSA-N    		 C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(
    O)OP(O)(C(Cl)(P(O)(O)=O)Cl)=O; C1[C@@H](
    [C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)
    OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O; NC1=NC(=O
    )N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[
    P](O)(=O)C(Cl)(Cl)[P](O)(O)=O)O2; C1C(C(
    OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(
    =O)(O)O)(Cl)Cl)O)O; NC1=NC(=O)N(C=C1)[C@
    H]2C[C@H](O)[C@H](CO[P](O)(=O)O[P](O)(=O
    )C(Cl)(Cl)[P](O)(O)=O)O2    		 4-amino-1-{2-deoxy-5-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one
    40416 VC9 1 C10 H16 Br2 N3 O12 P3 InChI=1S/C10H16Br2N3O12P3
    /c11-10(12,28(18,19)20)29
    (21,22)27-30(23,24)25-4-6
    -5(16)3-8(26-6)15-2-1-7(1
    3)14-9(15)17/h1-2,5-6,8,1
    6H,3-4H2,(H,21,22)(H,23,2
    4)(H2,13,14,17)(H2,18,19,
    20)/t5-,6+,8+/m0/s1;
    QBTCYYWCAIICFQ-SHYZEUOFSA-N    		 NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](C
    O[P](O)(=O)O[P](O)(=O)C(Br)(Br)[P](O)(O)
    =O)O2; C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2
    =O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br
    )O)O; C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O
    )OP(=O)(C(P(=O)(O)O)(Br)Br)O)O; NC1=NC(=
    O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O
    [P](O)(=O)C(Br)(Br)[P](O)(O)=O)O2; C=1(N
    )C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(
    O)(C(Br)(P(O)(O)=O)Br)=O    		 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
    40417 VCA
    CHEMBL1236642
    DB04801
    ZINC000014881303    		 23 C18 H34 O2 InChI=1S/C18H34O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18(19)20/h7-8H
    ,2-6,9-17H2,1H3,(H,19,20)
    /b8-7-;
    UWHZIFQPPBDJPM-FPLPWBNLSA-N    		 O=C(O)CCCCCCCCC\C=C/CCCCCC; CCCCCC\C=C/C
    CCCCCCCCC(O)=O; CCCCCCC=CCCCCCCCCCC(=O)O
    ; CCCCCCC=CCCCCCCCCCC(O)=O    		 VACCENIC ACID;
    (11E)-OCTADEC-11-ENOIC ACID
    40418 VCB
    ZINC000005203789    		 1 C22 H15 N O4 InChI=1S/C22H15NO4/c24-20
    -15-10-5-4-9-14(15)18-16(
    20)11-6-12-17(18)21(25)23
    -19(22(26)27)13-7-2-1-3-8
    -13/h1-12,19H,(H,23,25)(H
    ,26,27)/t19-/m1/s1;
    JJNHPDOJBUAQDZ-LJQANCHMSA-N    		 OC(=O)[C@H](NC(=O)c1cccc2C(=O)c3ccccc3c1
    2)c4ccccc4; c1ccc(cc1)[C@H](C(=O)O)NC(=O
    )c2cccc3c2-c4ccccc4C3=O; c1ccc(cc1)C(C(=
    O)O)NC(=O)c2cccc3c2-c4ccccc4C3=O; OC(=O)
    [CH](NC(=O)c1cccc2C(=O)c3ccccc3c12)c4ccc
    cc4    		 (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid
    40419 VCC 2 C11 H8 F3 N3 O2 InChI=1S/C11H8F3N3O2/c12-
    11(13,14)9-6(10(18)19)5-1
    6-17(9)8-4-2-1-3-7(8)15/h
    1-5H,15H2,(H,18,19);
    NWURCYDONMHVOP-UHFFFAOYSA-N    		 c1ccc(c(c1)N)n2c(c(cn2)C(=O)O)C(F)(F)F;
    Nc1ccccc1n2ncc(C(O)=O)c2C(F)(F)F    		 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
    40420 VCD
    CHEMBL2325697
    ZINC000068244750    		 2 C21 H24 N4 O3 S InChI=1S/C21H24N4O3S/c1-1
    4-13-28-11-10-25(14)19-12
    -18(21(7-8-21)29(2,26)27)
    23-20(24-19)16-4-3-5-17-1
    5(16)6-9-22-17/h3-6,9,12,
    14,22H,7-8,10-11,13H2,1-2
    H3/t14-/m1/s1;
    SCGCBAAYLFTIJU-CQSZACIVSA-N    		 C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4[nH]ccc3
    4)C5(CC5)[S](C)(=O)=O; C5OCC(C)N(c4cc(C1
    (S(C)(=O)=O)CC1)nc(c2cccc3c2ccn3)n4)C5;
    CC1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(
    CC5)S(=O)(=O)C; C[CH]1COCCN1c2cc(nc(n2)c
    3cccc4[nH]ccc34)C5(CC5)[S](C)(=O)=O; C[C
    @@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C
    5(CC5)S(=O)(=O)C    		 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole
    40421 VCE
    ZINC000087613190    		 1 C13 H12 O6 InChI=1S/C13H12O6/c14-11-
    8(12(15)16)2-1-3-9(11)19-
    10(13(17)18)6-7-4-5-7/h1-
    3,6-7,14H,4-5H2,(H,15,16)
    (H,17,18)/b10-6+;
    RBBOJHGNWUPRCK-UXBLZVDNSA-N    		 O=C(O)c2c(O)c(O\C(=C\C1CC1)C(=O)O)ccc2;
    c1cc(c(c(c1)O/C(=C/C2CC2)/C(=O)O)O)C(=O)
    O; OC(=O)C(\Oc1cccc(C(O)=O)c1O)=C/C2CC2;
    c1cc(c(c(c1)OC(=CC2CC2)C(=O)O)O)C(=O)O;
    OC(=O)C(Oc1cccc(C(O)=O)c1O)=CC2CC2    		 3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
    40422 VCF 1 C18 H18 Cl N3 O InChI=1S/C18H18ClN3O/c1-2
    1-8-10-22(11-9-21)18-14-4
    -2-3-5-16(14)23-17-12-13(
    19)6-7-15(17)20-18/h2-7,1
    2H,8-11H2,1H3;
    FSRSEANZUZHDHK-UHFFFAOYSA-N    		 CN1CCN(CC1)C2=Nc3ccc(Cl)cc3Oc4ccccc24; C
    N1CCN(CC1)C2=Nc3ccc(cc3Oc4c2cccc4)Cl    		 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine;
    VUF-6884
    40423 VCG
    ZINC000008101168    		 7 C32 H60 O10 InChI=1S/C32H60O10/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-17-30(36)40-25-2
    4-37-27-29(39-22-19-34)32
    -28(38-21-18-33)26-31(42-
    32)41-23-20-35/h9-10,28-2
    9,31-35H,2-8,11-27H2,1H3/
    b10-9+/t28-,29+,31-,32+/m
    1/s1;
    RGPBUVUVZKQNHD-YPJAPDKZSA-N    		 C(CC(OCCOCC(OCCO)C1C(OCCO)CC(O1)OCCO)=O)
    CCCCC[C@H]=[C@H]CCCCCCCC; CCCCCCCC\C=C\C
    CCCCCCC(=O)OCCOC[C@H](OCCO)[C@H]1O[C@H](
    C[C@H]1OCCO)OCCO; CCCCCCCCC=CCCCCCCCC(=O
    )OCCOC[CH](OCCO)[CH]1O[CH](C[CH]1OCCO)OC
    CO; CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC
    (O1)OCCO)OCCO)OCCO; CCCCCCCC/C=C/CCCCCCC
    C(=O)OCCOC[C@@H]([C@@H]1[C@@H](C[C@@H](O
    1)OCCO)OCCO)OCCO    		 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside;
    Polysorbate 80
    40424 VCH
    CHEMBL4864604    		 1 C21 H18 F6 N2 O5 S InChI=1S/C21H18F6N2O5S/c1
    -11(30)29-10-12-9-15(35(2
    ,33)34)7-8-16(12)17(29)18
    (31)28-14-5-3-13(4-6-14)1
    9(32,20(22,23)24)21(25,26
    )27/h3-9,17,32H,10H2,1-2H
    3,(H,28,31)/t17-/m1/s1;
    QYYZXEPEVBXNNA-QGZVFWFLSA-N    		 CC(=O)N1Cc2cc(ccc2C1C(=O)Nc3ccc(cc3)C(C(
    F)(F)F)(C(F)(F)F)O)S(=O)(=O)C; CC(=O)N1C
    c2cc(ccc2[C@@H]1C(=O)Nc3ccc(cc3)C(C(F)(F
    )F)(C(F)(F)F)O)S(=O)(=O)C; CC(=O)N1Cc2cc
    (ccc2[CH]1C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)
    C(F)(F)F)[S](C)(=O)=O; CC(=O)N1Cc2cc(ccc
    2[C@@H]1C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(
    F)(F)F)[S](C)(=O)=O    		 (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide
    40425 VCI 2 C16 H17 N5 O2 S InChI=1S/C16H17N5O2S/c1-2
    4(22,23)21-12-7-5-11(6-8-
    12)14-13(9-4-10-2-3-10)15
    (17)20-16(18)19-14/h5-8,1
    0,21H,2-3H2,1H3,(H4,17,18
    ,19,20);
    GEEYVAKBEISXHH-UHFFFAOYSA-N    		 CS(=O)(=O)Nc1ccc(cc1)c2c(c(nc(n2)N)N)C#C
    C3CC3; C[S](=O)(=O)Nc1ccc(cc1)c2nc(N)nc(
    N)c2C#CC3CC3    		 ~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide
    40426 VCJ 4 C24 H16 F4 P InChI=1S/C24H16F4P/c25-17
    -1-9-21(10-2-17)29(22-11-
    3-18(26)4-12-22,23-13-5-1
    9(27)6-14-23)24-15-7-20(2
    8)8-16-24/h1-16H/q+1;
    BHXRYKOELHRJEJ-UHFFFAOYSA-N    		 c1c(ccc(c1)F)[P+](c2ccc(cc2)F)(c3ccc(F)c
    c3)c4ccc(cc4)F; c1cc(ccc1F)[P+](c2ccc(cc
    2)F)(c3ccc(cc3)F)c4ccc(cc4)F; Fc1ccc(cc1
    )[P+](c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)c
    c4    		 tetrakis(4-fluorophenyl)phosphanium
    40427 VCK
    CHEMBL4856950    		 1 C22 H22 F6 N2 O5 S InChI=1S/C22H22F6N2O5S/c1
    -3-36(34,35)16-10-4-13(5-
    11-16)17(12-18(31)29-2)19
    (32)30-15-8-6-14(7-9-15)2
    0(33,21(23,24)25)22(26,27
    )28/h4-11,17,33H,3,12H2,1
    -2H3,(H,29,31)(H,30,32)/t
    17-/m1/s1;
    FQOWZQYVIFDJJK-QGZVFWFLSA-N    		 CC[S](=O)(=O)c1ccc(cc1)[CH](CC(=O)NC)C(=
    O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F; CCS
    (=O)(=O)c1ccc(cc1)[C@@H](CC(=O)NC)C(=O)N
    c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O; CCS(=O
    )(=O)c1ccc(cc1)C(CC(=O)NC)C(=O)Nc2ccc(cc
    2)C(C(F)(F)F)(C(F)(F)F)O; CC[S](=O)(=O)c
    1ccc(cc1)[C@@H](CC(=O)NC)C(=O)Nc2ccc(cc2
    )C(O)(C(F)(F)F)C(F)(F)F    		 (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide
    40428 VCL 1 C14 H17 Cl N4 S InChI=1S/C14H17ClN4S/c15-
    12-5-3-11(4-6-12)8-18-14(
    16)20-7-1-2-13-9-17-10-19
    -13/h3-6,9-10H,1-2,7-8H2,
    (H2,16,18)(H,17,19);
    UCAIEVHKDLMIFL-UHFFFAOYSA-N    		 c1cc(ccc1CN=C(N)SCCCc2c[nH]cn2)Cl; c1cc(
    ccc1C/N=C(/N)\SCCCc2c[nH]cn2)Cl; NC(SCCC
    c1c[nH]cn1)=NCc2ccc(Cl)cc2    		 3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate;
    Clobenpropit
    40429 VCN
    CHEMBL1486504
    ZINC000000133586    		 1 C18 H17 N O2 InChI=1S/C18H17NO2/c1-3-1
    9(4-2)18(21)15-11-7-10-14
    -16(15)12-8-5-6-9-13(12)1
    7(14)20/h5-11H,3-4H2,1-2H
    3;
    ABJOLLLERVOCAY-UHFFFAOYSA-N    		 CCN(CC)C(=O)c1cccc2C(=O)c3ccccc3c12; CCN
    (CC)C(=O)c1cccc2c1-c3ccccc3C2=O    		 ~{N},~{N}-diethyl-9-oxidanylidene-fluorene-4-carboxamide
    40430 VCO
    ZINC000100206697    		 1 C11 H16 N2 O2 InChI=1S/C11H16N2O2/c1-2-
    15-11(14)9(8-12)10-6-4-3-
    5-7-13-10/h13H,2-7H2,1H3/
    b10-9-;
    OIIXRHZKCPKQIV-KTKRTIGZSA-N    		 CCOC(=O)/C(C#N)=C1/CCCCCN1; CCOC(=O)C(C#
    N)=C1CCCCCN1; O=C(OCC)C(\C#N)=C1\CCCCCN1
    ; CCOC(=O)C(=C1CCCCCN1)C#N; CCOC(=O)/C(=
    C\1/CCCCCN1)/C#N    		 ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate
    40431 VCP 1 C19 H20 N3 O8 P InChI=1S/C19H20N3O8P/c1-1
    0-17(23)14(11(7-20-10)9-3
    0-31(27,28)29)8-21-16(19(
    25)26)6-13-12-4-2-3-5-15(
    12)22-18(13)24/h2-5,7-8,1
    3,16,23H,6,9H2,1H3,(H,22,
    24)(H,25,26)(H2,27,28,29)
    /b21-8+/t13-,16?/m0/s1;
    ZXXYWPJNDHLAKD-ARQPKOPCSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](C[C@@H]
    2C(=O)Nc3ccccc23)C(O)=O)c1O; C(c1cnc(c(c
    1[C@H]=NC(CC3c2ccccc2NC3=O)C(O)=O)O)C)OP
    (O)(O)=O; Cc1ncc(CO[P](O)(O)=O)c(C=N[CH]
    (C[CH]2C(=O)Nc3ccccc23)C(O)=O)c1O; Cc1c(
    c(c(cn1)COP(=O)(O)O)C=NC(CC2c3ccccc3NC2=
    O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=
    N/[C@@H](C[C@H]2c3ccccc3NC2=O)C(=O)O)O    		 (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
    40432 VCQ
    ZINC000000548784    		 1 C13 H16 O3 InChI=1S/C13H16O3/c14-12(
    15)13(16,11-8-4-5-9-11)10
    -6-2-1-3-7-10/h1-3,6-7,11
    ,16H,4-5,8-9H2,(H,14,15)/
    t13-/m1/s1;
    WFLUEQCOAQCQLP-CYBMUJFWSA-N    		 OC(=O)[C](O)(C1CCCC1)c2ccccc2; c1ccc(cc1
    )C(C2CCCC2)(C(=O)O)O; OC(=O)[C@](O)(C1CC
    CC1)c2ccccc2; c1ccc(cc1)[C@@](C2CCCC2)(C
    (=O)O)O    		 (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid
    40433 VCS 1 C19 H20 N3 O8 P InChI=1S/C19H20N3O8P/c1-1
    0-17(23)14(11(7-20-10)9-3
    0-31(27,28)29)8-21-16(19(
    25)26)6-13-12-4-2-3-5-15(
    12)22-18(13)24/h2-5,7-8,1
    3,21,23H,6,9H2,1H3,(H,22,
    24)(H,25,26)(H2,27,28,29)
    /b21-8+/t13-/m0/s1;
    QWYZKAZTPCEUQJ-OOMAIKSQSA-N    		 C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3c2ccc
    cc2NC3=O)C(=O)O)[O-])C)OP(=O)(O)O; Cc1[n
    H+]cc(CO[P](O)(O)=O)c(C=[NH+][C-](C[CH]2
    C(=O)Nc3ccccc23)C(O)=O)c1[O-]; Cc1[nH+]c
    c(CO[P](O)(O)=O)c(C=[NH+][C-](C[C@@H]2C(
    =O)Nc3ccccc23)C(O)=O)c1[O-]; Cc1c(c(c(c[
    nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@H]2c
    3ccccc3NC2=O)C(=O)O)[O-]; Cc1c(c(c(c[nH+
    ]1)COP(=O)(O)O)C=[NH+][C-](CC2c3ccccc3NC
    2=O)C(=O)O)[O-]    		 4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
    40434 VCT
    CHEMBL5219152
    ZINC000000133584    		 1 C16 H13 N O2 InChI=1S/C16H13NO2/c1-17(
    2)16(19)13-9-5-8-12-14(13
    )10-6-3-4-7-11(10)15(12)1
    8/h3-9H,1-2H3;
    WQYXZHZSFYVUSA-UHFFFAOYSA-N    		 CN(C)C(=O)c1cccc2c1-c3ccccc3C2=O; CN(C)C
    (=O)c1cccc2C(=O)c3ccccc3c12    		 ~{N},~{N}-dimethyl-9-oxidanylidene-fluorene-4-carboxamide
    40435 VCU
    ZINC000001486612    		 0 C7 H15 N InChI=1S/C7H15N/c1-8-7-5-
    3-2-4-6-7/h7-8H,2-6H2,1H3;
    XTUVJUMINZSXGF-UHFFFAOYSA-N    		 CNC1CCCCC1 ~{N}-methylcyclohexanamine
    40436 VCV 1 C31 H33 N7 O3 S InChI=1S/C31H33N7O3S/c1-4
    -42(40,41)36-25-15-21(22-
    16-26(30(39)37(3)20-22)35
    -23-18-32-19-23)17-27-24(
    25)11-14-38(27)31(2,28-9-
    5-7-12-33-28)29-10-6-8-13
    -34-29/h5-17,20,23,32,35-
    36H,4,18-19H2,1-3H3;
    LCXGTBTWPLARED-UHFFFAOYSA-N    		 CC[S](=O)(=O)Nc1cc(cc2n(ccc12)[C](C)(c3c
    cccn3)c4ccccn4)C5=CN(C)C(=O)C(=C5)NC6CNC
    6; CC[S](=O)(=O)Nc1cc(cc2n(ccc12)[C@](C)
    (c3ccccn3)c4ccccn4)C5=CN(C)C(=O)C(=C5)NC
    6CNC6; c1(NS(CC)(=O)=O)cc(cc2c1ccn2C(c3n
    cccc3)(c4ccccn4)C)C5=CN(C(C(=C5)NC6CNC6)
    =O)C; CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3c
    cccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)
    C    		 N-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1H-indol-4-yl)ethanesulfonamide
    40437 VCW
    CHEMBL1207986    		 6 C9 H18 O10 S InChI=1S/C9H18O10S/c10-1-
    4(11)2-18-9-8(14)7(13)6(1
    2)5(19-9)3-20(15,16)17/h4
    -14H,1-3H2,(H,15,16,17)/t
    4-,5-,6-,7+,8-,9+/m1/s1;
    JTXHNMDHGMNPEG-NZJLWHDDSA-N    		 OC[C@@H](O)CO[C@H]1O[C@H](C[S](O)(=O)=O)
    [C@@H](O)[C@H](O)[C@H]1O; OC[CH](O)CO[CH
    ]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]
    1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1
    )OC[C@@H](CO)O)O)O)O)S(=O)(=O)O; C(C1C(C
    (C(C(O1)OCC(CO)O)O)O)O)S(=O)(=O)O    		 [(2S,3S,4S,5R,6S)-6-[(2R)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid;
    sulfoquinovosyl glycerol;
    SQGro
    40438 VCX
    ZINC000008730180    		 1 C6 H7 Br N2 O2 InChI=1S/C6H7BrN2O2/c1-3-
    4(7)5(9-8-3)6(10)11-2/h1-
    2H3,(H,8,9);
    QOTBTHHHTJJTRR-UHFFFAOYSA-N    		 Cc1c(c(n[nH]1)C(=O)OC)Br; Brc1c(C)[NH]nc
    1C(=O)OC; COC(=O)c1n[nH]c(C)c1Br    		 methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
    40439 VCY
    CHEMBL4848780    		 1 C24 H20 O5 InChI=1S/C24H20O5/c1-27-1
    8-7-3-5-15(11-18)16-9-10-
    20-21(14-23(25)26)24(29-2
    2(20)13-16)17-6-4-8-19(12
    -17)28-2/h3-13H,14H2,1-2H
    3,(H,25,26);
    DPEJTEZYXSGVKK-UHFFFAOYSA-N    		 c4(cc(c3c(c2c(cc(c1cccc(c1)OC)cc2)o3)CC(
    O)=O)ccc4)OC; COc1cccc(c1)c2ccc3c(c2)oc(
    c3CC(=O)O)c4cccc(c4)OC; COc1cccc(c1)c2cc
    c3c(CC(O)=O)c(oc3c2)c4cccc(OC)c4    		 [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
    40440 VCZ
    ZINC000006262375    		 2 C10 H11 N O4 InChI=1S/C10H11NO4/c1-6(1
    2)11-8-5-7(10(13)14)3-4-9
    (8)15-2/h3-5H,1-2H3,(H,11
    ,12)(H,13,14);
    AATMJTHPDWWQRU-UHFFFAOYSA-N    		 CC(=O)Nc1cc(ccc1OC)C(=O)O; COc1ccc(cc1NC
    (C)=O)C(O)=O    		 3-acetamido-4-methoxy-benzoic acid
    40441 VD1
    CHEMBL2104955
    DB04891
    ZINC000013975113    		 1 C23 H36 O2 InChI=1S/C23H36O2/c1-5-15
    (2)19-10-11-20-18(7-6-12-
    23(19,20)4)9-8-17-13-21(2
    4)16(3)22(25)14-17/h8-9,1
    5,19-22,24-25H,3,5-7,10-1
    4H2,1-2,4H3/b18-9+/t15-,1
    9+,20-,21+,22+,23+/m0/s1;
    QSLUXQQUPXBIHH-YHSKWIAJSA-N    		 OC3\C(=C)C(O)CC(=C\C=C1/CCCC2(C1CCC2C(C)
    CC)C)\C3; CCC(C)C1CCC2C1(CCCC2=CC=C3CC(C
    (=C)C(C3)O)O)C; CC[C@H](C)[C@H]1CC[C@@H]
    \2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H]
    (C3)O)O)C; CC[C@H](C)[C@H]1CC[C@H]2C(/CC
    C[C@]12C)=C/C=C3C[C@@H](O)C(=C)[C@H](O)C
    3; CC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=
    C3C[CH](O)C(=C)[CH](O)C3    		 5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL;
    1-ALPHA-HYDROXY-2-METHYLENE-19-NOR-(20S)-BISHOMOPREGNACALCIFEROL;
    2MBISP
    40442 VD2
    CHEMBL3084958    		 1 C27 H46 O3 InChI=1S/C27H46O3/c1-18(8
    -6-14-26(3,4)30)22-12-13-
    23-21(9-7-15-27(22,23)5)1
    1-10-20-16-24(28)19(2)25(
    29)17-20/h10-11,18-19,22-
    25,28-30H,6-9,12-17H2,1-5
    H3/b20-10-,21-11+/t18-,19
    +,22-,23+,24-,25-,27-/m1/
    s1;
    OZPNRDQPQFOURL-VJPYOZRWSA-N    		 CC1C(CC(=CC=C2CCCC3(C2CCC3C(C)CCCC(C)(C)
    O)C)CC1O)O; C[C@H](CCCC(C)(C)O)[C@H]1CC[
    C@H]2\C(CCC[C@]12C)=C\C=C/3C[C@@H](O)[C@
    H](C)[C@H](O)C/3; C[CH](CCCC(C)(C)O)[CH]
    1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](C
    )[CH](O)C3; CC1[C@@H](CC(=C\C=C\2/CCC[C@
    ]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)
    C[C@H]1O)O; OC3CC(=C/C=C1\CCCC2(C)C(C(C)
    CCCC(O)(C)C)CCC12)\CC(O)C3C    		 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYL-CYCLOHEXANE-1,3-DIOL;
    2-ALPHA-METHYL-19-NOR-1,25-DIHYDROXYVITAMIN D3;
    2AM20R
    40443 VD3 10 C27 H44 O InChI=1S/C27H44O/c1-19(2)
    8-6-9-21(4)25-15-16-26-22
    (10-7-17-27(25,26)5)12-13
    -23-18-24(28)14-11-20(23)
    3/h12-13,19,21,24-26,28H,
    3,6-11,14-18H2,1-2,4-5H3/
    t21-,24+,25-,26+,27-/m1/s
    1;
    QYSXJUFSXHHAJI-RWDMXNMGSA-N    		 CC(C)CCC[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=
    CC=C3C[CH](O)CCC3=C; CC(C)CCC[C@@H](C)[C
    @H]1CC[C@H]2C(/CCC[C@]12C)=C\C=C3/C[C@@H
    ](O)CCC3=C; CC(C)CCC[C@@H](C)[C@H]1CC[C@
    @H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C;
    OC3CC(=C/C=C1\CCCC2(C)C(C(C)CCCC(C)C)CC
    C12)\C(=C)CC3; CC(C)CCCC(C)C1CCC2C1(CCCC
    2=CC=C3CC(CCC3=C)O)C    		 (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL;
    VITAMIN D3
    40444 VD4
    ZINC000016052266    		 1 C27 H42 O3 InChI=1S/C27H42O3/c1-18(8
    -6-14-26(3,4)30)22-12-13-
    23-21(9-7-15-27(22,23)5)1
    1-10-20-16-24(28)19(2)25(
    29)17-20/h10-11,23-25,28-
    30H,2,6-9,12-17H2,1,3-5H3
    /b21-11+,22-18-/t23-,24+,
    25+,27+/m0/s1;
    PCPYFQNISYYIPU-DUKKOGHCSA-N    		 CC(=C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O
    )C)CCCC(C)(C)O; CC(/CCCC(C)(C)O)=C/1CC[C
    @H]2C(/CCC[C@]/12C)=C/C=C3\C[C@@H](O)C(=
    C)[C@H](O)C3; CC(CCCC(C)(C)O)=C1CC[CH]2C
    (CCC[C]12C)=CC=C3C[CH](O)C(=C)[CH](O)C3;
    C/C(=C/1\CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3
    C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O
    ; OC3\C(=C)C(O)CC(=C\C=C1/CCCC2(C(=C(\C)
    CCCC(O)(C)C)\CCC12)C)\C3    		 (1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol
    40445 VD5
    ZINC000016052267    		 1 C27 H42 O3 InChI=1S/C27H42O3/c1-18(8
    -6-14-26(3,4)30)22-12-13-
    23-21(9-7-15-27(22,23)5)1
    1-10-20-16-24(28)19(2)25(
    29)17-20/h10-11,23-25,28-
    30H,2,6-9,12-17H2,1,3-5H3
    /b21-11+,22-18+/t23-,24+,
    25+,27+/m0/s1;
    PCPYFQNISYYIPU-QEWVMUDDSA-N    		 CC(=C1CCC2C1(CCCC2=CC=C3CC(C(=C)C(C3)O)O
    )C)CCCC(C)(C)O; OC3\C(=C)C(O)CC(=C\C=C1/
    CCCC2(C(=C(/C)CCCC(O)(C)C)\CCC12)C)\C3;
    C\C(CCCC(C)(C)O)=C/1CC[C@H]2C(\CCC[C@]/1
    2C)=C\C=C/3C[C@@H](O)C(=C)[C@H](O)C/3; C
    /C(=C\1/CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[
    C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O;
    CC(CCCC(C)(C)O)=C1CC[CH]2C(CCC[C]12C)=CC
    =C3C[CH](O)C(=C)[CH](O)C3    		 (1R,3R,7E,17E)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol
    40446 VD6
    ZINC000000041053    		 1 C13 H17 N O2 InChI=1S/C13H17NO2/c15-13
    (16)12-8-4-5-9-14(12)10-1
    1-6-2-1-3-7-11/h1-3,6-7,1
    2H,4-5,8-10H2,(H,15,16)/t
    12-/m1/s1;
    FEUCBQVXYVZGCM-GFCCVEGCSA-N    		 OC(=O)[CH]1CCCCN1Cc2ccccc2; c1ccc(cc1)CN
    2CCCCC2C(=O)O; OC(=O)[C@H]1CCCCN1Cc2cccc
    c2; c1ccc(cc1)CN2CCCC[C@@H]2C(=O)O; O=C(
    O)C1CCCCN1Cc1ccccc1    		 (2R)-1-benzylpiperidine-2-carboxylic acid
    40447 VD8
    ZINC000000284491    		 4 C14 H23 N O2 S InChI=1S/C14H23NO2S/c1-13
    (2,3)10-7-11(14(4,5)6)9-1
    2(8-10)18(15,16)17/h7-9H,
    1-6H3,(H2,15,16,17);
    JHNRXWPREULLAE-UHFFFAOYSA-N    		 CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C;
    CC(C)(C)c1cc(cc(c1)[S](N)(=O)=O)C(C)(C)C    		 3,5-di~{tert}-butylbenzenesulfonamide
    40448 VD9
    CHEMBL2333400
    ZINC000095590010    		 6 C9 H13 N O2 S2 InChI=1S/C9H13NO2S2/c1-2-
    7-13-8-3-5-9(6-4-8)14(10,
    11)12/h3-6H,2,7H2,1H3,(H2
    ,10,11,12);
    QFWWUTSCPNTDPO-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(SCCC)cc1)N; CCCSc1ccc(cc1)
    S(=O)(=O)N; CCCSc1ccc(cc1)[S](N)(=O)=O    		 4-(propylsulfanyl)benzenesulfonamide
    40449 VDA
    CHEMBL457052    		 1 C28 H46 O5 S InChI=1S/C28H46O5S/c1-5-2
    8(32,6-2)18-34-19(3)22-11
    -12-23-21(8-7-13-27(22,23
    )4)10-9-20-16-24(30)26(25
    (31)17-20)33-15-14-29/h9-
    11,19,23-26,29-32H,5-8,12
    -18H2,1-4H3/b20-9-,21-10+
    /t19-,23-,24+,25+,26+,27+
    /m0/s1;
    DUIYWCMQVXJTIP-YYDWSLPPSA-N    		 CCC(O)(CC)CS[CH](C)C1=CC[CH]2C(CCC[C]12C
    )=CC=C3C[CH](O)[CH](OCCO)[CH](O)C3; O(CC
    O)C3C(O)C/C(=C/C=C1\CCCC2(C(=CCC12)C(SCC
    (O)(CC)CC)C)C)CC3O; CCC(CC)(CS[C@@H](C)C
    1=CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C([C
    @@H](C3)O)OCCO)O)C)O; CCC(O)(CC)CS[C@@H]
    (C)C1=CC[C@H]2C(/CCC[C@]12C)=C/C=C3/C[C@
    @H](O)[C@@H](OCCO)[C@H](O)C3; CCC(CC)(CS
    C(C)C1=CCC2C1(CCCC2=CC=C3CC(C(C(C3)O)OCC
    O)O)C)O    		 (1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol;
    (20S)-1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3
    40450 VDB
    CHEMBL514116    		 1 C28 H46 O5 S InChI=1S/C28H46O5S/c1-5-2
    8(32,6-2)18-34-19(3)22-11
    -12-23-21(8-7-13-27(22,23
    )4)10-9-20-16-24(30)26(25
    (31)17-20)33-15-14-29/h9-
    11,19,23-26,29-32H,5-8,12
    -18H2,1-4H3/b20-9-,21-10+
    /t19-,23+,24-,25-,26-,27-
    /m1/s1;
    DUIYWCMQVXJTIP-XXAWZNHHSA-N    		 CCC(O)(CC)CS[CH](C)C1=CC[CH]2C(CCC[C]12C
    )=CC=C3C[CH](O)[CH](OCCO)[CH](O)C3; O(CC
    O)C3C(O)C/C(=C/C=C1\CCCC2(C(=CCC12)C(SCC
    (O)(CC)CC)C)C)CC3O; CCC(CC)(CSC(C)C1=CCC
    2C1(CCCC2=CC=C3CC(C(C(C3)O)OCCO)O)C)O; C
    CC(CC)(CS[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC
    /C2=C\C=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)
    O; CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC
    [C@]12C)=C\C=C3/C[C@@H](O)[C@H](OCCO)[C@
    H](O)C3    		 (1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol;
    (20R)-1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3
    40451 VDC 4 C24 H26 F N5 O4 InChI=1S/C24H26FN5O4/c1-1
    3(2)34-21-15(20(31)26-17-
    5-4-6-29(22(17)32)18-8-16
    (18)25)7-14-9-30(28-19(14
    )27-21)24-10-23(3,11-24)3
    3-12-24/h4-7,9,13,16,18H,
    8,10-12H2,1-3H3,(H,26,31)
    /t16-,18+,23-,24-/m0/s1;
    YRZABOXBJPGNGN-PXAYELCQSA-N    		 CC(C)Oc1c(cc2cn(nc2n1)C34CC(C3)(OC4)C)C(
    =O)NC5=CC=CN(C5=O)C6CC6F; CC(C)Oc1nc2nn(
    cc2cc1C(=O)NC3=CC=CN([CH]4C[CH]4F)C3=O)C
    56COC(C)(C5)C6; CC(C)Oc1c(cc2cn(nc2n1)C3
    4CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)[C@@H]
    6C[C@@H]6F; CC(C)Oc1nc2nn(cc2cc1C(=O)NC3
    =CC=CN([C@@H]4C[C@@H]4F)C3=O)C56COC(C)(C
    5)C6; FC1CC1N1C=CC=C(NC(=O)c2cc3cn(nc3nc
    2OC(C)C)C23CC(C)(C2)OC3)C1=O    		 N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
    40452 VDD
    ZINC000005739057    		 1 C8 H9 N O2 S InChI=1S/C8H9NO2S/c1-6(8(
    10)11)12-7-4-2-3-5-9-7/h2
    -6H,1H3,(H,10,11)/t6-/m0/
    s1;
    FAAIBCMHMKYUAH-LURJTMIESA-N    		 C[C@H](Sc1ccccn1)C(O)=O; C[C@@H](C(=O)O)
    Sc1ccccn1; C[CH](Sc1ccccn1)C(O)=O; CC(Sc
    1ccccn1)C(=O)O; CC(C(=O)O)Sc1ccccn1    		 (2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid
    40453 VDE 0 C11 H20 N6 O3 InChI=1S/C11H20N6O3/c12-8
    (11(19)20)3-1-2-4-17-6-7(
    15-16-17)5-9(13)10(14)18/
    h6,8-9H,1-5,12-13H2,(H2,1
    4,18)(H,19,20)/t8-,9-/m0/
    s1;
    OXPRPPLOGXKLGL-IUCAKERBSA-N    		 N[CH](CCCCn1cc(C[CH](N)C(N)=O)nn1)C(O)=O
    ; N[C@@H](CCCCn1cc(C[C@H](N)C(N)=O)nn1)C
    (O)=O; c1c(nnn1CCCC[C@@H](C(=O)O)N)C[C@@
    H](C(=O)N)N; c1c(nnn1CCCCC(C(=O)O)N)CC(C
    (=O)N)N    		 (2S)-2-azanyl-6-[4-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid
    40454 VDF 3 C5 H11 O8 P InChI=1S/C5H11O8P/c6-2-1-
    12-5(8)4(3(2)7)13-14(9,10
    )11/h2-8H,1H2,(H2,9,10,11
    )/t2-,3-,4+,5-/m0/s1;
    QIAIUTJEZJIPSH-KLVWXMOXSA-N    		 O[C@H]1CO[C@H](O)[C@H](O[P](O)(O)=O)[C@H
    ]1O; C1C(C(C(C(O1)O)OP(=O)(O)O)O)O; C1[C
    @@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)
    O)O; O[CH]1CO[CH](O)[CH](O[P](O)(O)=O)[C
    H]1O    		 2-O-phosphono-beta-L-arabinopyranose;
    2-O-phosphono-beta-L-arabinose;
    2-O-phosphono-L-arabinose;
    2-O-phosphono-arabinose;
    [(2S,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate
    40455 VDG
    CHEMBL2228796
    ZINC000008551990    		 2 C17 H25 N5 O13 InChI=1S/C17H25N5O13/c18-
    6(8(25)5(24)3-34-16(19)32
    )13(29)20-7(15(30)31)11-9
    (26)10(27)14(35-11)22-1-4
    (2-23)12(28)21-17(22)33/h
    1,5-11,14,23-27H,2-3,18H2
    ,(H2,19,32)(H,20,29)(H,30
    ,31)(H,21,28,33)/t5-,6-,7
    -,8+,9-,10+,11+,14+/m0/s1;
    YFZNSPMAOIVQRP-YVKGXWRCSA-N    		 C1=C(C(=O)NC(=O)N1C2C(C(C(O2)C(C(=O)O)NC
    (=O)C(C(C(COC(=O)N)O)O)N)O)O)CO; N[C@@H]
    ([C@H](O)[C@@H](O)COC(N)=O)C(=O)N[C@@H](
    [C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(CO)C
    (=O)NC2=O)C(O)=O; N[CH]([CH](O)[CH](O)CO
    C(N)=O)C(=O)N[CH]([CH]1O[CH]([CH](O)[CH]
    1O)N2C=C(CO)C(=O)NC2=O)C(O)=O; C1=C(C(=O
    )NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)[C
    @@H](C(=O)O)NC(=O)[C@H]([C@@H]([C@H](COC
    (=O)N)O)O)N)O)O)CO    		 (2S)-2-[[(2S,3S,4S)-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid
    40456 VDH 1 C20 H22 N6 O3 InChI=1S/C20H22N6O3/c1-3-
    25-11-13-8-14(4-5-16(13)2
    1-7-6-19(25)28)23-20(29)1
    5-10-22-17-9-18(27)24-26(
    17)12(15)2/h4-5,8-10,21H,
    3,6-7,11H2,1-2H3,(H,23,29
    )(H,24,27);
    OCCBDBRLOQJNFE-UHFFFAOYSA-N    		 CCN1Cc2cc(NC(=O)C3=C(C)N4NC(=O)C=C4N=C3)
    ccc2NCCC1=O; CCN1Cc2cc(ccc2NCCC1=O)NC(=O
    )C3=C(N4C(=CC(=O)N4)N=C3)C    		 N-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;
    N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
    40457 VDI
    CHEMBL1343297
    ZINC000000394844    		 1 C11 H11 Cl O2 InChI=1S/C11H11ClO2/c12-9
    -4-2-8(3-5-9)11(10(13)14)
    6-1-7-11/h2-5H,1,6-7H2,(H
    ,13,14);
    XYSRHOKREWGGFE-UHFFFAOYSA-N    		 OC(=O)C1(CCC1)c1ccc(Cl)cc1; OC(=O)C1(CCC
    1)c2ccc(Cl)cc2; c1cc(ccc1C2(CCC2)C(=O)O)
    Cl    		 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
    40458 VDJ 2 C21 H35 F2 N3 O8 S InChI=1S/C21H35F2N3O8S/c1
    -12(2)9-15(26-20(30)34-11
    -13-3-6-21(22,23)7-4-13)1
    8(28)25-16(19(29)35(31,32
    )33)10-14-5-8-24-17(14)27
    /h12-16,19,29H,3-11H2,1-2
    H3,(H,24,27)(H,25,28)(H,2
    6,30)(H,31,32,33)/t14-,15
    -,16-,19+/m0/s1;
    BHZBRFONZANPNK-IUVQAAGXSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OCC2CCC(CC2)(F)F; CC(C)C[C@@H](C
    (=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O
    )(=O)O)NC(=O)OCC2CCC(CC2)(F)F; C(C(NC(CC
    1C(=O)NCC1)C(S(O)(=O)=O)O)=O)(CC(C)C)NC(
    =O)OCC2CCC(CC2)(F)F; CC(C)C[C@H](NC(=O)O
    CC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]2CCN
    C2=O)[C@H](O)[S](O)(=O)=O; CC(C)C[CH](NC
    (=O)OCC1CCC(F)(F)CC1)C(=O)N[CH](C[CH]2CC
    NC2=O)[CH](O)[S](O)(=O)=O    		 [4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    40459 VDK 0 C7 H14 N O2 InChI=1S/C7H13NO2/c8-6-3-
    1-2-5(4-6)7(9)10/h5-6H,1-
    4,8H2,(H,9,10)/p+1/t5-,6-
    /m0/s1;
    CKTUXQBZPWBFDX-WDSKDSINSA-O    		 C1CC(CC(C1)[NH3+])C(=O)O; C1C[C@@H](C[C@
    H](C1)[NH3+])C(=O)O; [NH3+][CH]1CCC[CH](
    C1)C(O)=O; [NH3+][C@H]1CCC[C@@H](C1)C(O)
    =O    		 [(1S,3S)-3-carboxycyclohexyl]azanium
    40460 VDL
    DB04802
    ZINC000095483612    		 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-PWNYCUMCSA-N    		 C[C@@H](N)[C@@H](N)C(O)=O; CC(C(C(=O)O)N
    )N; C[CH](N)[CH](N)C(O)=O; C[C@H]([C@H](
    C(=O)O)N)N; O=C(O)C(N)C(N)C    		 (2R,3R)-2,3-DIAMINOBUTANOIC ACID;
    D-ERITHRO-2,3-DIAMINO-BUTYRIC ACID
    40461 VDM
    CHEMBL1236649
    ZINC000016052241    		 18 C14 H25 N O8 InChI=1S/C14H25NO8/c16-3-
    5-1-7(11(20)13(22)9(5)18)
    15-8-2-6(4-17)10(19)14(23
    )12(8)21/h1,6-23H,2-4H2/t
    6-,7+,8+,9-,10-,11+,12+,1
    3+,14+/m1/s1;
    YCJYNBLLJHFIIW-MBABXGOBSA-N    		 OC[CH]1C[CH](N[CH]2C=C(CO)[CH](O)[CH](O)
    [CH]2O)[CH](O)[CH](O)[CH]1O; OC2C(NC1C=C
    (CO)C(O)C(O)C1O)CC(C(O)C2O)CO; C1C(C(C(C
    (C1NC2C=C(C(C(C2O)O)O)CO)O)O)O)CO; C1[C@
    @H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C(
    [C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO; OC
    [C@H]1C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H
    ](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O    		 (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL;
    VALIDOXYLAMINE
    40462 VDN
    CHEMBL1520
    DB00862
    ZINC000018324776    		 8 C23 H32 N6 O4 S InChI=1S/C23H32N6O4S/c1-5
    -8-20-24-16(4)21-23(30)25
    -22(26-29(20)21)18-15-17(
    9-10-19(18)33-7-3)34(31,3
    2)28-13-11-27(6-2)12-14-2
    8/h9-10,15H,5-8,11-14H2,1
    -4H3,(H,25,26,30);
    SECKRCOLJRRGGV-UHFFFAOYSA-N    		 CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)
    (=O)N4CCN(CC4)CC)C; CCCc1nc(C)c2n1NC(=NC
    2=O)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(CC)CC4
    ; O=C2N=C(Nn1c(nc(c12)C)CCC)c3cc(ccc3OCC
    )S(=O)(=O)N4CCN(CC)CC4    		 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE;
    VARDENAFIL, LEVITRA
    40463 VDO
    ZINC000058655549    		 6 C14 H26 N O11 P InChI=1S/C14H26NO11P/c16-
    3-5-1-7(11(19)13(21)9(5)1
    7)15-8-2-6(4-26-27(23,24)
    25)10(18)14(22)12(8)20/h1
    ,6-22H,2-4H2,(H2,23,24,25
    )/t6-,7+,8+,9-,10-,11+,12
    +,13+,14+/m1/s1;
    ZKSTYMJGEHZSFH-MBABXGOBSA-N    		 OCC1=C[CH](N[CH]2C[CH](CO[P](O)(O)=O)[CH
    ](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O;
    C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]
    2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)C
    OP(=O)(O)O; C1C(C(C(C(C1NC2C=C(C(C(C2O)O
    )O)CO)O)O)O)COP(=O)(O)O; OCC1=C[C@H](N[C
    @H]2C[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](
    O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O; O=P
    (O)(O)OCC2C(O)C(O)C(O)C(NC1C=C(CO)C(O)C(
    O)C1O)C2    		 [(1R,2R,3S,4S,5S)-2,3,4-TRIHYDROXY-5-{[(1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}CYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE
    40464 VDP
    ZINC000028572172    		 3 C37 H53 N O4 InChI=1S/C37H53NO4/c1-25(
    21-30-24-37(4,42)35(41)38
    (30)20-9-8-13-27-11-6-5-7
    -12-27)32-17-18-33-28(14-
    10-19-36(32,33)3)15-16-29
    -22-31(39)23-34(40)26(29)
    2/h5-7,11-12,15-16,25,30-
    34,39-40,42H,2,8-10,13-14
    ,17-24H2,1,3-4H3/b28-15+,
    29-16-/t25-,30+,31-,32-,3
    3+,34+,36-,37-/m1/s1;
    IVUJLUOFPHOBPG-HEMHZJQPSA-N    		 O=C2N(CCCCc1ccccc1)C(CC2(O)C)CC(C)C5CCC4
    C(=C\C=C3/C(=C)C(O)CC(O)C3)\CCCC45C; CC(
    CC1CC(C(=O)N1CCCCc2ccccc2)(C)O)C3CCC4C3(
    CCCC4=CC=C5CC(CC(C5=C)O)O)C; C[C@H](C[C@
    H]1C[C@@](C(=O)N1CCCCc2ccccc2)(C)O)[C@H]
    3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C/5\C[C@H](
    C[C@@H](C5=C)O)O)C; C[CH](C[CH]1C[C](C)(
    O)C(=O)N1CCCCc2ccccc2)[CH]3CC[CH]4C(CCC[
    C]34C)=CC=C5C[CH](O)C[CH](O)C5=C; C[C@H]
    (C[C@H]1C[C@@](C)(O)C(=O)N1CCCCc2ccccc2)
    [C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C5\C[C@
    @H](O)C[C@H](O)C5=C
    40465 VDQ
    ZINC000000080614    		 0 C10 H14 N2 O InChI=1S/C10H14N2O/c11-9-
    1-3-10(4-2-9)12-5-7-13-8-
    6-12/h1-4H,5-8,11H2;
    PHNDZBFLOPIMSM-UHFFFAOYSA-N    		 Nc1ccc(cc1)N2CCOCC2; c1cc(ccc1N)N2CCOCC2 4-morpholin-4-ylaniline;
    4-Morpholinoaniline;
    75655
    40466 VDS 1 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2(8
    )5-3(9)4(10)6(11)12-5/h2-
    11H,1H2/t2-,3+,4-,5-,6-/m
    1/s1;
    AVVWPBAENSWJCB-AIECOIEWSA-N    		 C(C(C1C(C(C(O1)O)O)O)O)O; OC[CH](O)[CH]1
    O[CH](O)[CH](O)[CH]1O; C1(O)C(C(CO)O)OC(
    C1O)O; C([C@H]([C@@H]1[C@H]([C@H]([C@@H]
    (O1)O)O)O)O)O; OC[C@@H](O)[C@H]1O[C@@H](
    O)[C@H](O)[C@@H]1O    		 beta-D-allofuranose
    40467 VDT 2 C16 H16 N4 O InChI=1S/C16H16N4O/c1-21-
    13-5-3-2-4-11(13)14-12(9-
    8-10-6-7-10)15(17)20-16(1
    8)19-14/h2-5,10H,6-7H2,1H
    3,(H4,17,18,19,20);
    ZJTKSYLILOEUOG-UHFFFAOYSA-N    		 COc1ccccc1c2nc(N)nc(N)c2C#CC3CC3; COc1cc
    ccc1c2c(c(nc(n2)N)N)C#CC3CC3    		 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine
    40468 VDV 1 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2(8
    )5-3(9)4(10)6(11)12-5/h2-
    11H,1H2/t2-,3+,4-,5-,6+/m
    1/s1;
    AVVWPBAENSWJCB-RXRWUWDJSA-N    		 C(C(C1C(C(C(O1)O)O)O)O)O; OC[CH](O)[CH]1
    O[CH](O)[CH](O)[CH]1O; C1(O)C(C(CO)O)OC(
    C1O)O; OC[C@@H](O)[C@H]1O[C@H](O)[C@H](O
    )[C@@H]1O; C([C@H]([C@@H]1[C@H]([C@H]([C
    @H](O1)O)O)O)O)O    		 alpha-D-allofuranose
    40469 VDW 2 C10 H18 N3 O6 S InChI=1S/C10H17N3O6S/c11-
    5(10(18)19)1-2-7(14)13-6(
    4-20)9(17)12-3-8(15)16/h5
    -6,20H,1-4,11H2,(H,12,17)
    (H,13,14)(H,15,16)(H,18,1
    9)/p+1/t5-,6-/m0/s1;
    RWSXRVCMGQZWBV-WDSKDSINSA-O    		 [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(
    O)=O)C(O)=O; C(CC(=O)N[C@@H](CS)C(=O)NCC
    (=O)O)[C@@H](C(=O)O)[NH3+]; [NH3+][CH](C
    CC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O; C(C
    C(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)[NH3+]    		 [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium
    40470 VDX
    CHEMBL846
    DB00136
    ZINC000100015048    		 19 C27 H44 O3 InChI=1S/C27H44O3/c1-18(8
    -6-14-26(3,4)30)23-12-13-
    24-20(9-7-15-27(23,24)5)1
    0-11-21-16-22(28)17-25(29
    )19(21)2/h10-11,18,22-25,
    28-30H,2,6-9,12-17H2,1,3-
    5H3/b20-10+,21-11-/t18-,2
    2-,23-,24+,25+,27-/m1/s1;
    GMRQFYUYWCNGIN-NKMMMXOESA-N    		 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(/CCC[
    C@]12C)=C/C=C3/C[C@@H](O)C[C@H](O)C3=C;
    CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC
    (C3=C)O)O)C; C[CH](CCCC(C)(C)O)[CH]1CC[C
    H]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=
    C; C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C
    @@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)
    O)O)C; OC3C(=C)/C(=C\C=C1/CCCC2(C)C(C(C)
    CCCC(O)(C)C)CCC12)CC(O)C3    		 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL;
    1,25 DIHYDROXY VITAMIN D3
    40471 VDY
    CHEMBL1040
    DB00146
    ZINC000004474414    		 19 C27 H44 O2 InChI=1S/C27H44O2/c1-19-1
    0-13-23(28)18-22(19)12-11
    -21-9-7-17-27(5)24(14-15-
    25(21)27)20(2)8-6-16-26(3
    ,4)29/h11-12,20,23-25,28-
    29H,1,6-10,13-18H2,2-5H3/
    b21-11+,22-12-/t20-,23+,2
    4-,25+,27-/m1/s1;
    JWUBBDSIWDLEOM-DTOXIADCSA-N    		 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]
    1(CCC/C2=C\C=C3C[C@H](CCC3=C)O)C; C[CH](
    CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=
    C3C[CH](O)CCC3=C; C[C@H](CCCC(C)(C)O)[C@
    H]1CC[C@H]2C(/CCC[C@]12C)=C/C=C3/C[C@@H]
    (O)CCC3=C; OC3CC(=C/C=C1\CCCC2(C)C(C(C)C
    CCC(O)(C)C)CCC12)/C(=C)CC3; CC(CCCC(C)(C
    )O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C    		 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL;
    25-HYDROXYVITAMIN D3
    40472 VDZ
    CHEMBL605525
    ZINC000004394162    		 1 C27 H44 O3 InChI=1S/C27H44O3/c1-18(8
    -6-14-26(3,4)30)22-12-13-
    23-21(9-7-15-27(22,23)5)1
    1-10-20-16-24(28)19(2)25(
    29)17-20/h10-11,18,22-25,
    28-30H,2,6-9,12-17H2,1,3-
    5H3/b21-11+/t18-,22+,23-,
    24+,25+,27+/m0/s1;
    UHMPCVGLSKFXHR-NAQZCRMNSA-N    		 CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(
    =C)C(C3)O)O)C; OC3/C(=C)C(O)CC(=C\C=C1/C
    CCC2(C1CCC2C(C)CCCC(O)(C)C)C)\C3; C[CH](
    CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=
    C3C[CH](O)C(=C)[CH](O)C3; C[C@@H](CCCC(C
    )(C)O)[C@H]1CC[C@H]2C(/CCC[C@]12C)=C/C=C
    3C[C@@H](O)C(=C)[C@H](O)C3; C[C@@H](CCCC
    (C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\
    C=C3C[C@H](C(=C)[C@@H](C3)O)O)C    		 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIO L;
    2-METHYLENE-19-NOR-(20S)-1ALPHA,25-DIHYDROXY-VITAMIN D3;
    2MD
    40473 VE0
    ZINC000019515571    		 1 C11 H16 N4 O InChI=1S/C11H16N4O/c12-10
    (14-16)9-5-4-6-13-11(9)15
    -7-2-1-3-8-15/h4-6,16H,1-
    3,7-8H2,(H2,12,14);
    JZHHKLUPBPYXRR-UHFFFAOYSA-N    		 [H]/N=C(/c1cccnc1N2CCCCC2)\NO; ONC(=N)c1
    cccnc1N2CCCCC2; N=C(NO)c1cccnc1N1CCCCC1;
    c1cc(c(nc1)N2CCCCC2)C(=N)NO    		 N-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide
    40474 VE1
    CHEMBL4874288    		 1 C15 H13 Cl F N5 InChI=1S/C15H13ClFN5/c1-2
    2-8-10(5-9-3-2-4-11(17)6-
    9)14(21-22)12-7-13(16)20-
    15(18)19-12/h2-4,6-8H,5H2
    ,1H3,(H2,18,19,20);
    NVFOMYRKSZVYGO-UHFFFAOYSA-N    		 Cn1cc(Cc2cccc(F)c2)c(n1)c3cc(Cl)nc(N)n3;
    Cn1cc(c(n1)c2cc(nc(n2)N)Cl)Cc3cccc(c3)F    		 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
    40475 VE2 2 C16 H12 O6 InChI=1S/C16H12O6/c17-13-
    5-3-9(7-11(13)15(19)20)1-
    2-10-4-6-14(18)12(8-10)16
    (21)22/h1-8,17-18H,(H,19,
    20)(H,21,22)/b2-1+;
    SEOGGUVUVSSDJX-OWOJBTEDSA-N    		 c1cc(c(cc1C=Cc2ccc(c(c2)C(=O)O)O)C(=O)O)
    O; OC(=O)c1cc(ccc1O)C=Cc2ccc(O)c(c2)C(O)
    =O; OC(=O)c1cc(ccc1O)/C=C/c2ccc(O)c(c2)C
    (O)=O; c1cc(c(cc1/C=C/c2ccc(c(c2)C(=O)O)
    O)C(=O)O)O    		 5-[(E)-2-(3-carboxy-4-oxidanyl-phenyl)ethenyl]-2-oxidanyl-benzoic acid
    40476 VE3
    ZINC000058306281    		 0 C9 H15 N3 O S InChI=1S/C9H15N3OS/c1-4-7
    -8(14-11-10-7)9(13)12(5-2
    )6-3/h4-6H2,1-3H3;
    ACXPFDFOYMLQNM-UHFFFAOYSA-N    		 CCN(CC)C(=O)c1snnc1CC; CCc1c(snn1)C(=O)N
    (CC)CC; O=C(c1snnc1CC)N(CC)CC    		 N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
    40477 VE4 1 C19 H20 N3 O9 P InChI=1S/C19H20N3O9P/c1-1
    0-16(23)12(11(7-20-10)9-3
    1-32(28,29)30)8-21-15(17(
    24)25)6-19(27)13-4-2-3-5-
    14(13)22-18(19)26/h2-5,7-
    8,21,23,27H,6,9H2,1H3,(H,
    22,26)(H,24,25)(H2,28,29,
    30)/b21-8+/t19-/m1/s1;
    KVWUPOTUZSGNFK-JWWNMXMMSA-N    		 Cc1[nH+]cc(CO[P](O)(O)=O)c(C=[NH+][C-](C
    [C]2(O)C(=O)Nc3ccccc23)C(O)=O)c1[O-]; C(
    c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3(O)c2cc
    ccc2NC3=O)C(O)=O)[O-])C)OP(O)(=O)O; Cc1c
    (c(c(c[nH+]1)COP(=O)(O)O)C=[NH+][C-](CC2
    (c3ccccc3NC2=O)O)C(=O)O)[O-]; Cc1[nH+]cc
    (CO[P](O)(O)=O)c(C=[NH+][C-](C[C@]2(O)C(
    =O)Nc3ccccc23)C(O)=O)c1[O-]; Cc1c(c(c(c[
    nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@]2(c
    3ccccc3NC2=O)O)C(=O)O)[O-]    		 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
    40478 VE5
    CHEMBL4878480    		 1 C16 H18 N4 O2 InChI=1S/C16H18N4O2/c1-17
    -15(21)13-9-14(16(22)18-1
    2-7-8-12)20(19-13)10-11-5
    -3-2-4-6-11/h2-6,9,12H,7-
    8,10H2,1H3,(H,17,21)(H,18
    ,22);
    HSYFSGUXNLQCQP-UHFFFAOYSA-N    		 CNC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)NC3CC3;
    CNC(=O)c1cc(n(Cc2ccccc2)n1)C(=O)NC3CC3    		 N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide;
    1-benzyl-N5-cyclopropyl-N3-methyl-1H-pyrazole-3,5-dicarboxamide
    40479 VE6 2 C16 H10 Br N O4 InChI=1S/C16H10BrNO4/c17-
    9-1-6-14-12(7-9)13(15(20)
    16(21)22)8-18(14)10-2-4-1
    1(19)5-3-10/h1-8,19H,(H,2
    1,22);
    NEGBLGBTHUZBGM-UHFFFAOYSA-N    		 c1cc(ccc1n2cc(c3c2ccc(c3)Br)C(=O)C(=O)O)
    O; Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)c
    cc23    		 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid;
    2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
    40480 VE7
    CHEMBL4871128    		 2 C24 H20 O5 InChI=1S/C24H20O5/c1-27-1
    8-9-6-15(7-10-18)24-21(14
    -23(25)26)20-11-8-17(13-2
    2(20)29-24)16-4-3-5-19(12
    -16)28-2/h3-13H,14H2,1-2H
    3,(H,25,26);
    TZSONHMMMFCHKL-UHFFFAOYSA-N    		 COc1ccc(cc1)c2oc3cc(ccc3c2CC(O)=O)c4cccc
    (OC)c4; c4c(c3c(c2c(cc(c1cc(ccc1)OC)cc2)
    o3)CC(O)=O)ccc(c4)OC; COc1ccc(cc1)c2c(c3
    ccc(cc3o2)c4cccc(c4)OC)CC(=O)O    		 [6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
    40481 VE8 1 C10 H19 N6 O19 P5 InChI=1S/C10H19N6O19P5/c1
    1-10-13-7-5(8(18)14-10)12
    -2-16(7)9-6(17)4(15-36(19
    ,20)33-37(21,22)23)3(32-9
    )1-31-39(27,28)35-40(29,3
    0)34-38(24,25)26/h2-4,6,9
    ,17H,1H2,(H,27,28)(H,29,3
    0)(H2,15,19,20)(H2,21,22,
    23)(H2,24,25,26)(H3,11,13
    ,14,18)/t3-,4-,6-,9-/m1/s
    1;
    IZNYESBVRGWINY-DXTOWSMRSA-N    		 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](N[
    P](O)(=O)O[P](O)(O)=O)[C@H]3O; c1nc2c(n1
    C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
    )NP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N; c1nc
    2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O
    )(O)OP(=O)(O)OP(=O)(O)O)NP(=O)(O)OP(=O)(
    O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)
    [CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O
    )(O)=O)[CH](N[P](O)(=O)O[P](O)(O)=O)[CH]
    3O    		 Non-hydrolasable alarmone analogue;
    ~{N}-[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]-phosphonooxy-phosphonamidic acid
    40482 VE9 4 C24 H26 F N5 O4 InChI=1S/C24H26FN5O4/c1-1
    3(2)34-21-15(20(31)26-17-
    5-4-6-29(22(17)32)18-8-16
    (18)25)7-14-9-30(28-19(14
    )27-21)24-10-23(3,11-24)3
    3-12-24/h4-7,9,13,16,18H,
    8,10-12H2,1-3H3,(H,26,31)
    /t16?,18-,23-,24-/m0/s1;
    YRZABOXBJPGNGN-JFHOTQKMSA-N    		 CC(C)Oc1c(cc2cn(nc2n1)C34CC(C3)(OC4)C)C(
    =O)NC5=CC=CN(C5=O)C6CC6F; CC(C)Oc1nc2nn(
    cc2cc1C(=O)NC3=CC=CN([CH]4C[CH]4F)C3=O)C
    56COC(C)(C5)C6; FC1CC1N1C=CC=C(NC(=O)c2c
    c3cn(nc3nc2OC(C)C)C23CC(C)(C2)OC3)C1=O;
    CC(C)Oc1c(cc2cn(nc2n1)C34CC(C3)(OC4)C)C(
    =O)NC5=CC=CN(C5=O)[C@H]6C[C@H]6F; CC(C)O
    c1nc2nn(cc2cc1C(=O)NC3=CC=CN([C@H]4C[C@H
    ]4F)C3=O)C56COC(C)(C5)C6    		 N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
    40483 VEA 3 C33 H31 Fe N4 O5 InChI=1S/C33H32N4O5.Fe/c1
    -7-20-19(6)32-37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(36-26)
    42-32;/h7-8,13-15H,1-2,9-
    12H2,3-6H3,(H3-,34,35,36,
    37,38,39,40,41);/q;+6/p-1
    /b24-13-,25-14-,26-13-,27
    -14-,28-15-,29-15-;;
    OCHHJFVQYXRHAA-HPQJSUICSA-M    		 Cc1c2C=C3C(=C(C)C4=[N@+]3[Fe@@++]56n2c(C
    =C7C(=C(C)C(=[N@@+]57)C=C8[N@]6C(=[O+]4)
    C(=C8C)C=C)CCC(O)=O)c1CCC(O)=O)C=C; O=C(
    O)CCC1=C(C2=[n+]4c1cc8c(c(c7C=C5C(=C(c6[
    o+]c3C(\C=C)=C(C(=C2)n3[Fe+2]4([n+]56)n7
    8)C)C)\C=C)C)CCC(=O)O)C; Cc1c2cc3[n+]4c(
    [o+]c5c(c(c6n5[Fe+2]47n2c(c1CCC(=O)O)cc8
    [n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C
    )C; Cc1c2cc3[n+]4c([o+]c5c(c(c6n5[Fe@+2]
    47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=
    O)O)C)C)C=C)C(=C3C=C)C; Cc1c2C=C3C(=C(C)
    C4=[N+]3[Fe++]56n2c(C=C7C(=C(C)C(=[N+]57
    )C=C8[N]6C(=[O+]4)C(=C8C)C=C)CCC(O)=O)c1
    CCC(O)=O)C=C    		 5-OXA-PROTOPORPHYRIN IX CONTAINING FE
    40484 VEB
    CHEMBL4281997    		 1 C7 H21 O26 P7 InChI=1S/C7H21O26P7/c8-34
    (9,10)1-35(11,12)28-2-3(2
    9-36(13,14)15)5(31-38(19,
    20)21)7(33-40(25,26)27)6(
    32-39(22,23)24)4(2)30-37(
    16,17)18/h2-7H,1H2,(H,11,
    12)(H2,8,9,10)(H2,13,14,1
    5)(H2,16,17,18)(H2,19,20,
    21)(H2,22,23,24)(H2,25,26
    ,27)/t2-,3-,4-,5+,6-,7-/m
    0/s1;
    IZNCMXVIYGYGJI-GESKJZQWSA-N    		 O[P](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)
    (O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=
    O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; O
    [P](O)(=O)C[P](O)(=O)O[C@@H]1[C@H](O[P](
    O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O
    )(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(
    O)=O; C(P(=O)(O)O)P(=O)(O)OC1C(C(C(C(C1O
    P(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O
    )O)OP(=O)(O)O; C(P(=O)(O)O)P(=O)(O)OC1[C
    @@H]([C@H](C([C@H]([C@H]1OP(=O)(O)O)OP(=
    O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O    		 [oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid;
    PCP-InsP7
    40485 VEC
    ZINC000019967250    		 1 C11 H13 N O4 InChI=1S/C11H13NO4/c1-12(
    7-10(14)16-2)11(15)8-4-3-
    5-9(13)6-8/h3-6,13H,7H2,1
    -2H3;
    SIYGHEABEISEBF-UHFFFAOYSA-N    		 O=C(c1cc(O)ccc1)N(C)CC(=O)OC; COC(=O)CN(
    C)C(=O)c1cccc(O)c1; CN(CC(=O)OC)C(=O)c1c
    ccc(c1)O    		 methyl N-(3-hydroxybenzoyl)-N-methylglycinate
    40486 VED
    CHEMBL4875684    		 2 C24 H18 O6 InChI=1S/C24H18O6/c1-29-1
    8-7-3-4-14(11-18)15-8-9-1
    9-20(13-22(25)26)23(30-21
    (19)12-15)16-5-2-6-17(10-
    16)24(27)28/h2-12H,13H2,1
    H3,(H,25,26)(H,27,28);
    OXXURMYRXBYXOG-UHFFFAOYSA-N    		 COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cc
    cc(c4)C(=O)O; COc1cccc(c1)c2ccc3c(CC(O)=
    O)c(oc3c2)c4cccc(c4)C(O)=O; c4(cccc(c2c(
    CC(O)=O)c1ccc(cc1o2)c3cc(ccc3)OC)c4)C(O)
    =O    		 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid
    40487 VEE 3 C15 H30 N4 O4 InChI=1S/C15H30N4O4/c16-1
    9-18-8-6-4-2-1-3-5-7-17-1
    2-9-13(21)15(23)14(22)11(
    12)10-20/h11-15,17,20-23H
    ,1-10H2/t11-,12-,13+,14+,
    15+/m0/s1;
    GOBIPKNKUJPACR-VQJWOFKYSA-N    		 C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)
    O)CO)NCCCCCCCCN=[N+]=[N-]; C1C(C(C(C(C1O
    )O)O)CO)NCCCCCCCCN=[N+]=[N-]; OC[C@@H]1[
    C@@H](O)[C@H](O)[C@H](O)C[C@@H]1NCCCCCCC
    CN=[N+]=[N-]; OC[CH]1[CH](O)[CH](O)[CH](
    O)C[CH]1NCCCCCCCCN=[N+]=[N-]    		 (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol;
    N-alkyl mannocyclophellitol aziridine
    40488 VEF 0 C4 H9 N O4 InChI=1S/C4H9NO4/c1-2(5)4
    (8,9)3(6)7/h2,8-9H,5H2,1H
    3,(H,6,7)/t2-/m0/s1;
    LHXALDSAESJJGU-REOHCLBHSA-N    		 C[CH](N)C(O)(O)C(O)=O; C[C@H](N)C(O)(O)C
    (O)=O; CC(C(C(=O)O)(O)O)N; C[C@@H](C(C(=
    O)O)(O)O)N    		 (3S)-3-azanyl-2,2-bis(oxidanyl)butanoic acid;
    (3S)-3-azanyl-2-oxidanylidene-butanoic acid (precursor);
    (3S)-3-amino-2-oxobutanoic acid (precursor);
    (2R,3S)-3-azanyl-2-oxidanyl-butanoic acid (reacted)
    40489 VEG 1 C25 H33 N3 O4 InChI=1S/C25H33N3O4/c1-6-
    21(29)28(20-12-10-19(11-1
    3-20)25(3,4)5)23(18-9-8-1
    5-26-17-18)24(31)27-16-14
    -22(30)32-7-2/h8-13,15,17
    ,23H,6-7,14,16H2,1-5H3,(H
    ,27,31)/t23-/m1/s1;
    XNMCYXJNJDNZGB-HSZRJFAPSA-N    		 CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccn
    c2)C(=O)NCCC(=O)OCC; CCC(=O)N(c1ccc(cc1)
    C(C)(C)C)C(c2cccnc2)C(=O)NCCC(=O)OCC; CC
    OC(=O)CCNC(=O)[C@H](N(C(=O)CC)c1ccc(cc1)
    C(C)(C)C)c2cccnc2; CCOC(=O)CCNC(=O)[CH](
    N(C(=O)CC)c1ccc(cc1)C(C)(C)C)c2cccnc2; N
    (c1ccc(C(C)(C)C)cc1)(C(C(NCCC(OCC)=O)=O)
    c2cnccc2)C(=O)CC    		 ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate
    40490 VEH
    CHEMBL5076518    		 1 C29 H37 N7 O4 S2 InChI=1S/C29H37N7O4S2/c1-
    17-26(41-29(32-17)34-24-9
    -6-8-22(33-24)27(37)31-12
    -7-13-35(4)5)20-14-21-16-
    36(18(2)19-10-11-19)28(38
    )25(21)23(15-20)42(39,40)
    30-3/h6,8-9,14-15,18-19,3
    0H,7,10-13,16H2,1-5H3,(H,
    31,37)(H,32,33,34)/t18-/m
    0/s1;
    SMMGDTUHUMCVSB-SFHVURJKSA-N    		 Cc1c(sc(n1)Nc2cccc(n2)C(=O)NCCCN(C)C)c3c
    c4c(c(c3)S(=O)(=O)NC)C(=O)N(C4)C(C)C5CC5
    ; CN[S](=O)(=O)c1cc(cc2CN([CH](C)C3CC3)C
    (=O)c12)c4sc(Nc5cccc(n5)C(=O)NCCCN(C)C)n
    c4C; CN[S](=O)(=O)c1cc(cc2CN([C@@H](C)C3
    CC3)C(=O)c12)c4sc(Nc5cccc(n5)C(=O)NCCCN(
    C)C)nc4C; Cc1c(sc(n1)Nc2cccc(n2)C(=O)NCC
    CN(C)C)c3cc4c(c(c3)S(=O)(=O)NC)C(=O)N(C4
    )[C@@H](C)C5CC5    		 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
    40491 VEI 2 C42 H72 O13 InChI=1S/C42H72O13/c1-21(
    2)10-9-14-42(8,55-37-35(5
    1)33(49)31(47)25(20-44)53
    -37)22-11-16-41(7)29(22)2
    3(45)18-27-39(5)15-13-28(
    38(3,4)26(39)12-17-40(27,
    41)6)54-36-34(50)32(48)30
    (46)24(19-43)52-36/h10,22
    -37,43-51H,9,11-20H2,1-8H
    3/t22-,23+,24+,25+,26-,27
    +,28-,29-,30+,31+,32-,33-
    ,34+,35+,36-,37-,39-,40+,
    41+,42-/m0/s1;
    SWIROVJVGRGSPO-JBVRGBGGSA-N    		 CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C
    @@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@
    H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@
    H](O5)CO)O)O)O)C)C)O)C)O[C@H]6[C@@H]([C@
    H]([C@@H]([C@H](O6)CO)O)O)O)C; CC(C)=CCC
    [C](C)(O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]
    1O)[CH]2CC[C]3(C)[CH]2[CH](O)C[CH]4[C]5(
    C)CC[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[C
    H]6O)C(C)(C)[CH]5CC[C]34C; CC(C)=CCC[C@]
    (C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[
    C@H]1O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[
    C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO
    )[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5
    CC[C@@]34C; CC(=CCCC(C)(C1CCC2(C1C(CC3C2
    (CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)
    O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C    		 (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-17-[(2~{S})-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol;
    ginsenoside F2
    40492 VEJ 1 C24 H33 N3 O3 InChI=1S/C24H33N3O3/c1-6-
    21(28)27(20-12-10-19(11-1
    3-20)24(2,3)4)22(18-9-7-1
    4-25-17-18)23(29)26-15-8-
    16-30-5/h7,9-14,17,22H,6,
    8,15-16H2,1-5H3,(H,26,29)
    /t22-/m1/s1;
    BWBBQIUIWNQPIO-JOCHJYFZSA-N    		 CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccn
    c2)C(=O)NCCCOC; CCC(=O)N([CH](C(=O)NCCCO
    C)c1cccnc1)c2ccc(cc2)C(C)(C)C; CCC(=O)N(
    c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NCCCO
    C; CCC(=O)N([C@@H](C(=O)NCCCOC)c1cccnc1)
    c2ccc(cc2)C(C)(C)C; N(CCCOC)C(=O)C(N(c1c
    cc(cc1)C(C)(C)C)C(CC)=O)c2cnccc2    		 N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    40493 VEK
    CHEMBL2207506
    ZINC000095561272    		 1 C19 H21 Br N8 O InChI=1S/C19H21BrN8O/c1-1
    2-7-13(25-29-12)10-27-3-5
    -28(6-4-27)17-14(20)8-22-
    19-16(17)23-18(24-19)15-9
    -21-11-26(15)2/h7-9,11H,3
    -6,10H2,1-2H3,(H,22,23,24
    );
    QWRJMSZUKHRINI-UHFFFAOYSA-N    		 Cn1cncc1c2[nH]c3c(ncc(Br)c3N4CCN(CC4)Cc5
    cc(C)on5)n2; Cc1cc(no1)CN2CCN(CC2)c3c(cn
    c4c3[nH]c(n4)c5cncn5C)Br; Brc3cnc2nc(c1c
    ncn1C)nc2c3N5CCN(Cc4noc(c4)C)CC5    		 6-bromo-2-(1-methyl-1H-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1H-imidazo[4,5-b]pyridine
    40494 VEL
    ZINC000000160555    		 1 C8 H8 F2 O2 InChI=1S/C8H8F2O2/c9-8(10
    )12-7-3-1-6(5-11)2-4-7/h1
    -4,8,11H,5H2;
    HSIDWXYUJAUALR-UHFFFAOYSA-N    		 c1cc(ccc1CO)OC(F)F; FC(F)Oc1ccc(cc1)CO;
    OCc1ccc(OC(F)F)cc1    		 [4-(difluoromethoxy)phenyl]methanol
    40495 VEM 1 C23 H31 N3 O3 InChI=1S/C23H31N3O3/c1-6-
    20(27)26(19-11-9-18(10-12
    -19)23(2,3)4)21(17-8-7-13
    -24-16-17)22(28)25-14-15-
    29-5/h7-13,16,21H,6,14-15
    H2,1-5H3,(H,25,28)/t21-/m
    1/s1;
    VGALAKWGAVFSCK-OAQYLSRUSA-N    		 N(CCOC)C(=O)C(c1cccnc1)N(c2ccc(cc2)C(C)(
    C)C)C(=O)CC; CCC(=O)N([C@@H](C(=O)NCCOC)
    c1cccnc1)c2ccc(cc2)C(C)(C)C; CCC(=O)N(c1
    ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCC
    OC; CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccn
    c2)C(=O)NCCOC; CCC(=O)N([CH](C(=O)NCCOC)
    c1cccnc1)c2ccc(cc2)C(C)(C)C    		 N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    40496 VEN
    CHEMBL4558527    		 1 C27 H29 N5 O4 S2 InChI=1S/C27H29N5O4S2/c1-
    15-25(37-27(28-15)30-21-6
    -4-7-22(29-21)31-11-5-8-2
    3(31)33)18-12-19-14-32(16
    (2)17-9-10-17)26(34)24(19
    )20(13-18)38(3,35)36/h4,6
    -7,12-13,16-17H,5,8-11,14
    H2,1-3H3,(H,28,29,30)/t16
    -/m0/s1;
    XOMFDZJQLSPGGV-INIZCTEOSA-N    		 C[C@@H](C1CC1)N2Cc3cc(cc(c3C2=O)[S](C)(=
    O)=O)c4sc(Nc5cccc(n5)N6CCCC6=O)nc4C; Cc1
    c(sc(n1)Nc2cccc(n2)N3CCCC3=O)c4cc5c(c(c4
    )S(=O)(=O)C)C(=O)N(C5)C(C)C6CC6; C[CH](C
    1CC1)N2Cc3cc(cc(c3C2=O)[S](C)(=O)=O)c4sc
    (Nc5cccc(n5)N6CCCC6=O)nc4C; Cc1c(sc(n1)N
    c2cccc(n2)N3CCCC3=O)c4cc5c(c(c4)S(=O)(=O
    )C)C(=O)N(C5)[C@@H](C)C6CC6    		 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one;
    141754136;
    2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxopyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one
    40497 VEO 1 C10 H9 N O3 InChI=1S/C10H9NO3/c1-14-7
    -2-3-8-6(4-7)5-9(11-8)10(
    12)13/h2-5,11H,1H3,(H,12,
    13);
    YEBJVSLNUMZXRJ-UHFFFAOYSA-N    		 COc1ccc2[nH]c(cc2c1)C(O)=O; COc1ccc2c(c1
    )cc([nH]2)C(=O)O    		 5-methoxy-1H-indole-2-carboxylic acid
    40498 VEP 1 C25 H33 N3 O3 InChI=1S/C25H33N3O3/c1-5-
    22(29)28(21-10-8-19(9-11-
    21)25(2,3)4)23(18-7-6-14-
    26-17-18)24(30)27-20-12-1
    5-31-16-13-20/h6-11,14,17
    ,20,23H,5,12-13,15-16H2,1
    -4H3,(H,27,30)/t23-/m1/s1;
    RRENCBKXJJGAMC-HSZRJFAPSA-N    		 CCC(=O)N([CH](C(=O)NC1CCOCC1)c2cccnc2)c3
    ccc(cc3)C(C)(C)C; CCC(=O)N(c1ccc(cc1)C(C
    )(C)C)[C@H](c2cccnc2)C(=O)NC3CCOCC3; CCC
    (=O)N([C@@H](C(=O)NC1CCOCC1)c2cccnc2)c3c
    cc(cc3)C(C)(C)C; CCC(=O)N(c1ccc(cc1)C(C)
    (C)C)C(c2cccnc2)C(=O)NC3CCOCC3; N(C1CCOC
    C1)C(=O)C(c2cccnc2)N(c3ccc(cc3)C(C)(C)C)
    C(=O)CC    		 N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    40499 VEQ
    CHEMBL5077792    		 1 C28 H33 N5 O4 S2 InChI=1S/C28H33N5O4S2/c1-
    16-26(38-28(29-16)30-18(3
    )34)21-12-22-15-33(17(2)2
    0-8-9-20)27(35)25(22)24(1
    3-21)39(36,37)31-23-10-6-
    19(7-11-23)14-32(4)5/h6-7
    ,10-13,17,20,31H,8-9,14-1
    5H2,1-5H3,(H,29,30,34)/t1
    7-/m0/s1;
    OMXQWLDNOXGCSM-KRWDZBQOSA-N    		 C[CH](C1CC1)N2Cc3cc(cc(c3C2=O)[S](=O)(=O
    )Nc4ccc(CN(C)C)cc4)c5sc(NC(C)=O)nc5C; C[
    C@@H](C1CC1)N2Cc3cc(cc(c3C2=O)[S](=O)(=O
    )Nc4ccc(CN(C)C)cc4)c5sc(NC(C)=O)nc5C; Cc
    1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc
    4ccc(cc4)CN(C)C)C(=O)N(C3)C(C)C5CC5; Cc1
    c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4
    ccc(cc4)CN(C)C)C(=O)N(C3)[C@@H](C)C5CC5    		 N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
    40500 VER 4 C30 H27 Fe N4 O3 InChI=1S/C30H28N4O3.Fe/c1
    -7-20-18(6)29-34-27(20)14
    -24-17(5)22(9-10-28(35)36
    )26(32-24)12-19-11-15(3)2
    3(31-19)13-25-16(4)21(8-2
    )30(33-25)37-29;/h7-8,11-
    14H,1-2,9-10H2,3-6H3,(H2-
    ,31,32,33,34,35,36);/q;+2
    /p-1/b19-12-,23-13-,24-14
    -,25-13-,26-12-,27-14-;;
    TXPACERVXXBEPS-DWJCAOJKSA-M    		 CC1=CC2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=[O+]
    c4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)C5=
    C2)C; CC1=CC2=NC1=Cc3n4[Fe][N@]5C(=CC6=N
    C(=[O+]c4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O
    )=O)C5=C2)C; Cc1c2n3c(c1C=C)[O+]=C4C(=C(
    C5=[N]4[Fe]36[N]7=C(C=C(C7=C2)C)C=C8N6C(
    =C5)C(=C8CCC(=O)O)C)C=C)C    		 IRON-OCTAETHYLPORPHYRIN;
    VERDOHEME
    40501 VES
    CHEMBL22830
    DB16858
    ZINC000001690615    		 8 C4 H9 N InChI=1S/C4H9N/c1-2-4-5-3
    -1/h5H,1-4H2;
    RWRDLPDLKQPQOW-UHFFFAOYSA-N    		 C1CCNC1; N1CCCC1 Pyrrolidine
    40502 VET
    ZINC000098209523    		 0 C10 H17 N2 O8 P InChI=1S/C10H17N2O8P/c1-1
    0(16)8(14)11-9(15)12(10)6
    -2-5(7(13)3-6)4-20-21(17,
    18)19/h5-7,13,16H,2-4H2,1
    H3,(H,11,14,15)(H2,17,18,
    19)/t5-,6-,7+,10-/m1/s1;
    JDPZWPHNVBGYQC-QGOVLLJGSA-N    		 CC1(C(=O)NC(=O)N1C2CC(C(C2)O)COP(=O)(O)O
    )O; C[C@]1(O)N([C@H]2C[C@H](O)[C@@H](CO[
    P](O)(O)=O)C2)C(=O)NC1=O; C[C@]1(C(=O)NC
    (=O)N1[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(
    O)O)O; C[C]1(O)N([CH]2C[CH](O)[CH](CO[P]
    (O)(O)=O)C2)C(=O)NC1=O    		 [(1R,2S,4R)-2-HYDROXY-4-[(5R)-5-HYDROXY-5-METHYL-2,4-DIOXO-IMIDAZOLIDIN-1-YL]CYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE
    40503 VEU 2 C24 H27 N5 O4 InChI=1S/C24H27N5O4/c1-14
    (2)33-20-16(19(30)25-17-5
    -4-8-29(21(17)31)15-6-7-1
    5)9-28-10-18(26-22(28)27-
    20)24-11-23(3,12-24)32-13
    -24/h4-5,8-10,14-15H,6-7,
    11-13H2,1-3H3,(H,25,30)/t
    23-,24-;
    JJZLDWBCAMPSMG-RQNOJGIXSA-N    		 CC(C)Oc1c(cn2cc(nc2n1)C34CC(C3)(OC4)C)C(
    =O)NC5=CC=CN(C5=O)C6CC6; CC(C)Oc1nc2nc(c
    n2cc1C(=O)NC3=CC=CN(C4CC4)C3=O)C56COC(C)
    (C5)C6; O=C1N(C=CC=C1NC(=O)c1cn2cc(nc2nc
    1OC(C)C)C12CC(C)(C1)OC2)C1CC1    		 ~{N}-(1-cyclopropyl-2-oxidanylidene-pyridin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxy-imidazo[1,2-a]pyrimidine-6-carboxamide
    40504 VEV 1 C21 H27 N3 O2 InChI=1S/C21H27N3O2/c1-6-
    18(25)24(17-11-9-16(10-12
    -17)21(2,3)4)19(20(26)22-
    5)15-8-7-13-23-14-15/h7-1
    4,19H,6H2,1-5H3,(H,22,26)
    /t19-/m1/s1;
    ZEONMUILSPVEHQ-LJQANCHMSA-N    		 CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccn
    c2)C(=O)NC; CCC(=O)N([CH](C(=O)NC)c1cccn
    c1)c2ccc(cc2)C(C)(C)C; CCC(=O)N(c1ccc(cc
    1)C(C)(C)C)C(c2cccnc2)C(=O)NC; CCC(=O)N(
    [C@@H](C(=O)NC)c1cccnc1)c2ccc(cc2)C(C)(C
    )C; N(C)C(=O)C(c1cnccc1)N(c2ccc(cc2)C(C)
    (C)C)C(CC)=O    		 N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    40505 VEW
    CHEMBL5082486    		 1 C26 H28 N4 O6 S3 InChI=1S/C26H28N4O6S3/c1-
    14-24(37-26(27-14)28-16(3
    )31)18-10-19-13-30(15(2)1
    7-8-9-17)25(32)23(19)22(1
    1-18)39(35,36)29-20-6-5-7
    -21(12-20)38(4,33)34/h5-7
    ,10-12,15,17,29H,8-9,13H2
    ,1-4H3,(H,27,28,31)/t15-/
    m0/s1;
    CZHFAPKIYABWLB-HNNXBMFYSA-N    		 Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)
    Nc4cccc(c4)S(=O)(=O)C)C(=O)N(C3)[C@@H](C
    )C5CC5; Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S
    (=O)(=O)Nc4cccc(c4)S(=O)(=O)C)C(=O)N(C3)
    C(C)C5CC5; C[C@@H](C1CC1)N2Cc3cc(cc(c3C2
    =O)[S](=O)(=O)Nc4cccc(c4)[S](C)(=O)=O)c5
    sc(NC(C)=O)nc5C; C[CH](C1CC1)N2Cc3cc(cc(
    c3C2=O)[S](=O)(=O)Nc4cccc(c4)[S](C)(=O)=
    O)c5sc(NC(C)=O)nc5C    		 N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
    40506 VEX
    ZINC000000406977    		 1 C10 H14 O4 InChI=1S/C10H14O4/c1-12-8
    -5-4-7(6-11)9(13-2)10(8)1
    4-3/h4-5,11H,6H2,1-3H3;
    DGJVVEVPKPOLEV-UHFFFAOYSA-N    		 COc1ccc(CO)c(OC)c1OC; COc1ccc(c(c1OC)OC)
    CO; COc1c(OC)c(ccc1OC)CO    		 (2,3,4-trimethoxyphenyl)methanol
    40507 VEY 1 C22 H29 N3 O2 InChI=1S/C22H29N3O2/c1-6-
    19(26)25(18-12-10-17(11-1
    3-18)22(3,4)5)20(21(27)24
    -7-2)16-9-8-14-23-15-16/h
    8-15,20H,6-7H2,1-5H3,(H,2
    4,27)/t20-/m1/s1;
    YWMXVWPDEYVMJP-HXUWFJFHSA-N    		 CCNC(=O)[C@H](N(C(=O)CC)c1ccc(cc1)C(C)(C
    )C)c2cccnc2; CCC(=O)N(c1ccc(cc1)C(C)(C)C
    )[C@H](c2cccnc2)C(=O)NCC; CCC(=O)N(c1ccc
    (cc1)C(C)(C)C)C(c2cccnc2)C(=O)NCC; N(c1c
    cc(C(C)(C)C)cc1)(C(CC)=O)C(c2cccnc2)C(NC
    C)=O; CCNC(=O)[CH](N(C(=O)CC)c1ccc(cc1)C
    (C)(C)C)c2cccnc2    		 N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    40508 VF0 1 C20 H38 N O9 P InChI=1S/C20H38NO9P/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -19(23)28-14-17(22)15-29-
    31(26,27)30-16-18(21)20(2
    4)25/h5-6,17-18,22H,2-4,7
    -16,21H2,1H3,(H,24,25)(H,
    26,27)/t17-,18-/m1/s1;
    NPKANCOBLRPFQN-QZTJIDSGSA-N    		 CCCCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[
    C@H](C(=O)O)N)O; CCCCC=CCCCCCCCC(=O)OC[C
    H](O)CO[P](O)(=O)OC[CH](N)C(O)=O; CCCC\C
    =C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(=O)OC
    [C@@H](N)C(O)=O; CCCCC=CCCCCCCCC(=O)OCC(
    COP(=O)(O)OCC(C(=O)O)N)O    		 (2R)-2-azanyl-3-[oxidanyl-[(2R)-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid
    40509 VF1 2 C28 H32 N2 O2 InChI=1S/C28H32N2O2/c1-25
    -17-26-11-12-28(25,32-3)2
    4(29-23(25)18-7-5-4-6-8-1
    8)27(26)13-14-30(2)22(26)
    15-19-9-10-20(31)16-21(19
    )27/h4-12,16,22-24,29,31H
    ,13-15,17H2,1-3H3/t22-,23
    -,24+,25+,26-,27+,28+/m1/
    s1;
    RGJHUVJQGAAZLK-GKTFKBBASA-N    		 CO[C]12C=C[C]34C[C]1(C)[CH](N[CH]2[C]35C
    CN(C)[CH]4Cc6ccc(O)cc56)c7ccccc7; C[C@@]
    12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@
    @H]4Cc6c5cc(cc6)O)C)N[C@@H]2c7ccccc7)OC;
    C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C
    5(C6)C)c7ccccc7)OC; CC12CC34C=CC1(C(C35C
    CN(C4Cc6c5cc(cc6)O)C)NC2c7ccccc7)OC; CO[
    C@]12C=C[C@]34C[C@@]1(C)[C@H](N[C@H]2[C@
    @]35CCN(C)[C@@H]4Cc6ccc(O)cc56)c7ccccc7    		 (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol;
    BU72
    40510 VF2 3 C22 H30 Cl N2 InChI=1S/C22H30ClN2/c1-24
    (2)22-12-10-20(11-13-22)8
    -9-21-14-18-25(19-15-21)1
    7-7-5-3-4-6-16-23/h8-15,1
    8-19H,3-7,16-17H2,1-2H3/q
    +1;
    WTHMXSWCQZGWBE-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)/C=C/c2cc[n+](cc2)CCCCCCC
    Cl; CN(C)c1ccc(cc1)C=Cc2cc[n+](cc2)CCCCC
    CCCl; CN(C)c1ccc(C=Cc2cc[n+](CCCCCCCCl)c
    c2)cc1; CN(C)c1ccc(\C=C\c2cc[n+](CCCCCCC
    Cl)cc2)cc1    		 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline
    40511 VF3
    ZINC000002494253    		 1 C8 H11 N O3 S2 InChI=1S/C8H11NO3S2/c10-1
    4(11,8-2-1-7-13-8)9-3-5-1
    2-6-4-9/h1-2,7H,3-6H2;
    KUWMYLJUWYMTMY-UHFFFAOYSA-N    		 c1cc(sc1)S(=O)(=O)N2CCOCC2; O=[S](=O)(N1
    CCOCC1)c2sccc2; O=S(=O)(N1CCOCC1)c1cccs1    		 4-(thiophene-2-sulfonyl)morpholine
    40512 VF4
    ZINC000003861086    		 0 C7 H14 O InChI=1S/C7H14O/c1-6-3-2-
    4-7(8)5-6/h6-8H,2-5H2,1H3
    /t6-,7+/m0/s1;
    HTSABYAWKQAHBT-NKWVEPMBSA-N    		 C[C@@H]1CCC[C@H](C1)O; C1(CCCC(C1)C)O; C
    C1CCCC(C1)O; C[C@H]1CCC[C@@H](O)C1; C[CH
    ]1CCC[CH](O)C1    		 (1R,3S)-3-methylcyclohexan-1-ol
    40513 VF5 1 C10 H15 N5 O16 P4 InChI=1S/C10H15N5O16P4/c1
    1-10-13-7-4(8(16)14-10)12
    -2-15(7)9-6-5(28-34(22,23
    )29-6)3(27-9)1-26-33(20,2
    1)31-35(24,25)30-32(17,18
    )19/h2-3,5-6,9H,1H2,(H,20
    ,21)(H,22,23)(H,24,25)(H2
    ,17,18,19)(H3,11,13,14,16
    )/t3-,5-,6-,9-/m1/s1;
    RSYPFLCCTRWIKG-UUOKFMHZSA-N    		 c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP
    (=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O4)O)N
    =C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3
    O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)
    =O)[C@H]4O[P](O)(=O)O[C@@H]34; c1nc2c(n1
    C3C4C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
    )OP(=O)(O4)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C
    (=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O
    )O[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34    		 [[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-oxidanyl-2-oxidanylidene-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    40514 VF6 2 C17 H21 N5 O InChI=1S/C17H21N5O/c1-10(
    23)20-13-7-5-12(6-8-13)15
    -14(9-4-11-2-3-11)16(18)2
    2-17(19)21-15/h5-8,11H,2-
    4,9H2,1H3,(H,20,23)(H4,18
    ,19,21,22);
    SCRAMBGYZMQUJK-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(cc1)c2nc(N)nc(N)c2CCC3CC3;
    CC(=O)Nc1ccc(cc1)c2c(c(nc(n2)N)N)CCC3CC3    		 ~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethyl)pyrimidin-4-yl]phenyl]ethanamide
    40515 VF8
    CHEMBL4446378
    DB17166    		 1 C33 H41 Cl N2 O5 S InChI=1S/C33H41ClN2O5S/c1
    -21-6-4-8-30(40-3)27-12-9
    -25(27)18-36-19-33(15-5-7
    -23-16-26(34)11-13-28(23)
    33)20-41-31-14-10-24(17-2
    9(31)36)32(37)35-42(38,39
    )22(21)2/h4,8,10-11,13-14
    ,16-17,21-22,25,27,30H,5-
    7,9,12,15,18-20H2,1-3H3,(
    H,35,37)/b8-4+/t21-,22+,2
    5-,27+,30-,33-/m0/s1;
    JQNINBDKGLWYMU-GEAQBIRJSA-N    		 CC1CC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)C
    Oc6c3cc(cc6)C(=O)NS(=O)(=O)C1C)OC; CO[C@
    H]1\C=C\C[C@H](C)[C@@H](C)[S](=O)(=O)NC(
    =O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)C[N@@]
    (C[C@@H]6CC[C@@H]16)c3c2; C[C@H]1C/C=C/[
    C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc
    5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O
    )[C@@H]1C)OC; CO[CH]1C=CC[CH](C)[CH](C)[
    S](=O)(=O)NC(=O)c2ccc3OC[C]4(CCCc5cc(Cl)
    ccc45)C[N](C[CH]6CC[CH]16)c3c2    		 (3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one
    40516 VF9 1 C12 H17 N O2 InChI=1S/C12H17NO2/c1-10(
    14)13-8-4-2-3-6-11(13)12-
    7-5-9-15-12/h5,7,9,11H,2-
    4,6,8H2,1H3/t11-/m0/s1;
    QOYGJLCZJYYQLA-NSHDSACASA-N    		 CC(=O)N1CCCCCC1c2ccco2; CC(=O)N1CCCCCC1c
    1ccco1; CC(=O)N1CCCCC[C@H]1c2ccco2; CC(=
    O)N1CCCCC[CH]1c2occc2; CC(=O)N1CCCCC[C@H
    ]1c2occc2    		 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one
    40517 VFA
    CHEMBL4797055    		 8 C21 H18 N2 O3 InChI=1S/C21H18N2O3/c1-25
    -17-4-2-3-14(9-17)11-23-2
    1(24)15-5-6-19-18-7-8-22-
    12-16(18)13-26-20(19)10-1
    5/h2-10,12H,11,13H2,1H3,(
    H,23,24);
    SIKMVWPMDNIKAY-UHFFFAOYSA-N    		 COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccn
    c4; COc1cccc(CNC(=O)c2ccc3c(OCc4cnccc34)
    c2)c1; c1c(cccc1OC)CNC(c4ccc3c2ccncc2COc
    3c4)=O    		 N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
    40518 VFB
    ZINC000103559670    		 1 C8 H7 N4 InChI=1S/C8H6N4/c1-2-4-7-
    6(3-1)11-8-9-5-10-12(7)8/
    h1-5H,(H,9,10,11)/p+1;
    UHMYOSZMUIJCFW-UHFFFAOYSA-O    		 c1ccc2c(c1)[nH]c3[n+]2nc[nH]3; [nH]1cn[n
    +]2c1[nH]c3ccccc23; n3[n+]2c1ccccc1nc2nc
    3    		 3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium
    40519 VFC
    CHEMBL2376147
    ZINC000095920563    		 4 C22 H19 F N8 O2 InChI=1S/C22H19FN8O2/c1-1
    1(22(33)31-9-12(6-24)10-3
    1)27-21(32)15-7-25-20-19(
    15)28-16(8-26-20)18-14-4-
    3-13(23)5-17(14)30(2)29-1
    8/h3-5,7-8,11-12H,9-10H2,
    1-2H3,(H,25,26)(H,27,32)/
    t11-/m1/s1;
    AGTYRXOJPORGGM-LLVKDONJSA-N    		 CC(C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(
    cn3)c4c5ccc(cc5n(n4)C)F; C[CH](NC(=O)c1c
    [nH]c2ncc(nc12)c3nn(C)c4cc(F)ccc34)C(=O)
    N5C[CH](C5)C#N; N#CC5CN(C(=O)C(NC(=O)c2c
    nc1ncc(nc12)c4nn(c3cc(F)ccc34)C)C)C5; C[
    C@@H](NC(=O)c1c[nH]c2ncc(nc12)c3nn(C)c4c
    c(F)ccc34)C(=O)N5C[C@H](C5)C#N; C[C@H](C
    (=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)
    c4c5ccc(cc5n(n4)C)F    		 N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
    40520 VFD
    CHEMBL34124
    DB16266
    ZINC000001483494    		 2 C32 H29 N O5 InChI=1S/C32H29NO5/c1-37-
    28-18-17-25-20-33(31(34)2
    9(23-13-7-3-8-14-23)24-15
    -9-4-10-16-24)27(32(35)36
    )19-26(25)30(28)38-21-22-
    11-5-2-6-12-22/h2-18,27,2
    9H,19-21H2,1H3,(H,35,36)/
    t27-/m0/s1;
    GHBCIXGRCZIPNQ-MHZLTWQESA-N    		 COc1ccc2c(c1OCc3ccccc3)C[C@H](N(C2)C(=O)
    C(c4ccccc4)c5ccccc5)C(=O)O; COc1ccc2CN([
    CH](Cc2c1OCc3ccccc3)C(O)=O)C(=O)C(c4cccc
    c4)c5ccccc5; N3(C(=O)C(c1ccccc1)c2ccccc2
    )Cc4c(CC3C(O)=O)c(c(cc4)OC)OCc5ccccc5; C
    Oc1ccc2c(c1OCc3ccccc3)CC(N(C2)C(=O)C(c4c
    cccc4)c5ccccc5)C(=O)O; COc1ccc2CN([C@@H]
    (Cc2c1OCc3ccccc3)C(O)=O)C(=O)C(c4ccccc4)
    c5ccccc5    		 Olodanrigan;
    EMA401;
    (3S)-5-(benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
    40521 VFE
    CHEMBL4871671    		 62 C20 H20 Cl N5 O2 S InChI=1S/C20H20ClN5O2S/c1
    -22-19(27)11-25(20(28)12-
    29-18-5-3-2-4-17(18)21)10
    -15-6-8-16(9-7-15)26-14-2
    3-13-24-26/h2-9,13-14H,10
    -12H2,1H3,(H,22,27);
    NVGPCILMXWWONB-UHFFFAOYSA-N    		 CNC(=O)CN(Cc1ccc(cc1)n2cncn2)C(=O)CSc3cc
    ccc3Cl    		 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide
    40522 VFF 2 C17 H16 N4 O2 InChI=1S/C17H16N4O2/c1-23
    -16(22)12-7-5-11(6-8-12)1
    4-13(9-4-10-2-3-10)15(18)
    21-17(19)20-14/h5-8,10H,2
    -3H2,1H3,(H4,18,19,20,21);
    VQXXOXYFIZOZAI-UHFFFAOYSA-N    		 COC(=O)c1ccc(cc1)c2c(c(nc(n2)N)N)C#CC3CC
    3; COC(=O)c1ccc(cc1)c2nc(N)nc(N)c2C#CC3C
    C3    		 methyl 4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]benzoate
    40523 VFG
    CHEMBL1288786
    ZINC000004217364    		 2 C5 H8 N4 O3 S2 InChI=1S/C5H8N4O3S2/c1-2-
    3(10)7-4-8-9-5(13-4)14(6,
    11)12/h2H2,1H3,(H2,6,11,1
    2)(H,7,8,10);
    PCBBBQKRWNGNDW-UHFFFAOYSA-N    		 CCC(=O)Nc1nnc(s1)S(=O)(=O)N; CCC(=O)Nc1n
    nc(S(N)(=O)=O)s1; CCC(=O)Nc1sc(nn1)[S](N
    )(=O)=O    		 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
    40524 VFH
    CHEMBL1256109
    ZINC000018284312    		 10 C10 H9 N O InChI=1S/C10H9NO/c1-7-6-1
    0(12)8-4-2-3-5-9(8)11-7/h
    2-6H,1H3,(H,11,12);
    NWINIEGDLHHNLH-UHFFFAOYSA-N    		 CC1=CC(=O)c2ccccc2N1 2-methyl-quinolin-4(1H)-one
    40525 VFI 1 C25 H24 N4 O2 InChI=1S/C25H24N4O2/c1-14
    -24(16(3)31-28-14)20-11-2
    1-19(12-23(20)30-5)25-22(
    13-26-21)27-17(4)29(25)15
    (2)18-9-7-6-8-10-18/h6-13
    ,15H,1-5H3/t15-/m1/s1;
    LJVBCQJBIHMYGJ-OAHLLOKOSA-N    		 COc1cc2c(cc1c3c(C)onc3C)ncc4nc(C)n([CH](
    C)c5ccccc5)c24; Cc1c(c(on1)C)c2cc3c(cc2O
    C)c4c(cn3)nc(n4C(C)c5ccccc5)C; COc1cc2c(
    cc1c3c(C)onc3C)ncc4nc(C)n([C@H](C)c5cccc
    c5)c24    		 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
    40526 VFJ
    CHEMBL1288787
    ZINC000032150186    		 4 C6 H10 N4 O3 S2 InChI=1S/C6H10N4O3S2/c1-2
    -3-4(11)8-5-9-10-6(14-5)1
    5(7,12)13/h2-3H2,1H3,(H2,
    7,12,13)(H,8,9,11);
    HZIYHIRJHYIRQO-UHFFFAOYSA-N    		 CCCC(=O)Nc1nnc(s1)S(=O)(=O)N; CCCC(=O)Nc
    1sc(nn1)[S](N)(=O)=O; C(C)CC(=O)Nc1nnc(S
    (N)(=O)=O)s1    		 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
    40527 VFL
    ZINC000002685827    		 1 C11 H17 N O2 InChI=1S/C11H17NO2/c1-8-3
    -4-11(9(2)5-8)14-7-10(13)
    6-12/h3-5,10,13H,6-7,12H2
    ,1-2H3/t10-/m1/s1;
    MUMARLPGCDVFQA-SNVBAGLBSA-N    		 NCC(O)COc1ccc(C)cc1C; Cc1ccc(c(c1)C)OCC(
    CN)O; Cc1ccc(OC[CH](O)CN)c(C)c1; Cc1ccc(
    OC[C@H](O)CN)c(C)c1; Cc1ccc(c(c1)C)OC[C@
    @H](CN)O    		 (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol
    40528 VFM
    CHEMBL1288807
    ZINC000064573294    		 3 C6 H10 N4 O3 S2 InChI=1S/C6H10N4O3S2/c1-3
    (2)4(11)8-5-9-10-6(14-5)1
    5(7,12)13/h3H,1-2H3,(H2,7
    ,12,13)(H,8,9,11);
    DVZGQBMHOJKRPI-UHFFFAOYSA-N    		 CC(C)C(=O)Nc1sc(nn1)[S](N)(=O)=O; CC(C)C
    (=O)Nc1nnc(S(N)(=O)=O)s1; CC(C)C(=O)Nc1n
    nc(s1)S(=O)(=O)N    		 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
    40529 VFN
    CHEMBL4866948    		 66 C19 H16 Cl N5 O2 S InChI=1S/C19H16ClN5O2S/c2
    0-15-3-1-2-4-16(15)28-12-
    18(26)25(11-17-23-24-19(2
    2)27-17)10-14-7-5-13(9-21
    )6-8-14/h1-8H,10-12H2,(H2
    ,22,24);
    DDHNQWBEECYOFY-UHFFFAOYSA-N    		 Nc1oc(CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3C
    l)nn1; c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#
    N)Cc3nnc(o3)N)Cl    		 ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide
    40530 VFO 4 C29 H36 F2 N4 O4 S InChI=1S/C29H36F2N4O4S/c1
    -15-23(40-14-32-15)19-10-
    16-6-5-7-21(18(16)12-20(1
    9)30)33-25(37)22-11-17(36
    )13-35(22)26(38)24(28(2,3
    )4)34-27(39)29(31)8-9-29/
    h10,12,14,17,21-22,24,36H
    ,5-9,11,13H2,1-4H3,(H,33,
    37)(H,34,39)/t17-,21+,22+
    ,24-/m1/s1;
    HWXXTNVUYSSVNI-IBTIQNRDSA-N    		 Cc1ncsc1c2cc3CCC[C@H](NC(=O)[C@@H]4C[C@@
    H](O)CN4C(=O)[C@@H](NC(=O)C5(F)CC5)C(C)(
    C)C)c3cc2F; Cc1c(scn1)c2cc3c(cc2F)[C@H](
    CCC3)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](C
    (C)(C)C)NC(=O)C5(CC5)F)O; Cc1c(scn1)c2cc
    3c(cc2F)C(CCC3)NC(=O)C4CC(CN4C(=O)C(C(C)
    (C)C)NC(=O)C5(CC5)F)O; Cc1ncsc1c2cc3CCC[
    CH](NC(=O)[CH]4C[CH](O)CN4C(=O)[CH](NC(=
    O)C5(F)CC5)C(C)(C)C)c3cc2F    		 (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
    40531 VFP
    CHEMBL4453318    		 1 C20 H17 N3 O4 InChI=1S/C20H17N3O4/c1-11
    -10-13(27-19-15-7-9-26-16
    (15)6-8-21-19)4-5-14(11)1
    7-12(2)18(24)22-20(25)23(
    17)3/h4-10H,1-3H3,(H,22,2
    4,25);
    CKMFOKUQUOYIOR-UHFFFAOYSA-N    		 CN1C(=O)NC(=O)C(=C1c2ccc(Oc3nccc4occc34)
    cc2C)C; Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)
    Oc3c4ccoc4ccn3; c21occc1c(ncc2)Oc3ccc(c(
    c3)C)C4=C(C(NC(N4C)=O)=O)C    		 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione
    40532 VFR
    ZINC000003886456    		 1 C10 H13 N3 O2 InChI=1S/C10H13N3O2/c11-9
    (13-15)6-10(14)12-7-8-4-2
    -1-3-5-8/h1-5,15H,6-7H2,(
    H2,11,13)(H,12,14);
    QOJRMUCEMSJURY-UHFFFAOYSA-N    		 [H]/N=C(\CC(=O)NCc1ccccc1)/NO; N=C(NO)CC
    (=O)NCc1ccccc1; ONC(=N)CC(=O)NCc1ccccc1;
    c1ccc(cc1)CNC(=O)CC(=N)NO    		 (3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide
    40533 VFS
    CHEMBL3955445    		 9 C19 H19 N3 O3 InChI=1S/C19H19N3O3/c1-25
    -18-9-14(7-8-16(18)15-10-
    20-21-11-15)19(24)22-17(1
    2-23)13-5-3-2-4-6-13/h2-1
    1,17,23H,12H2,1H3,(H,20,2
    1)(H,22,24)/t17-/m1/s1;
    CXWOMMUYWIPPCD-QGZVFWFLSA-N    		 c2(c(ccc(C(=O)NC(CO)c1ccccc1)c2)c3cnnc3)
    OC; COc1cc(ccc1c2c[nH]nc2)C(=O)N[CH](CO)
    c3ccccc3; COc1cc(ccc1c2c[nH]nc2)C(=O)N[C
    @H](CO)c3ccccc3; COc1cc(ccc1c2c[nH]nc2)C
    (=O)NC(CO)c3ccccc3    		 N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
    40534 VFT
    CHEMBL4850476    		 60 C20 H17 Cl N4 O S InChI=1S/C20H17ClN4OS/c21
    -18-3-1-2-4-19(18)27-13-2
    0(26)25(12-17-10-23-14-24
    -17)11-16-7-5-15(9-22)6-8
    -16/h1-8,10,14H,11-13H2,(
    H,23,24);
    LSTBXSJHAMGXJT-UHFFFAOYSA-N    		 c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3c[
    nH]cn3)Cl; Clc1ccccc1SCC(=O)N(Cc2ccc(cc2
    )C#N)Cc3c[nH]cn3    		 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide
    40535 VFU 2 C16 H15 F3 N4 InChI=1S/C16H15F3N4/c17-1
    6(18,19)11-6-4-10(5-7-11)
    13-12(8-3-9-1-2-9)14(20)2
    3-15(21)22-13/h3-9H,1-2H2
    ,(H4,20,21,22,23)/b8-3+;
    QIZPHSHTHHLIDL-FPYGCLRLSA-N    		 c1cc(ccc1c2c(c(nc(n2)N)N)/C=C/C3CC3)C(F)
    (F)F; c1cc(ccc1c2c(c(nc(n2)N)N)C=CC3CC3)
    C(F)(F)F; Nc1nc(N)c(C=CC2CC2)c(n1)c3ccc(
    cc3)C(F)(F)F; Nc1nc(N)c(/C=C/C2CC2)c(n1)
    c3ccc(cc3)C(F)(F)F    		 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
    40536 VFV
    CHEMBL3629567
    ZINC000098209524    		 34 C32 H23 F2 N5 O2 InChI=1S/C32H23F2N5O2/c33
    -26-13-10-21(11-14-26)25-
    12-15-27(28(34)18-25)29(1
    9-39-17-16-35-20-39)36-30
    (40)22-6-8-24(9-7-22)32-3
    8-37-31(41-32)23-4-2-1-3-
    5-23/h1-18,20,29H,19H2,(H
    ,36,40)/t29-/m0/s1;
    YTJXXDVLDUKYHV-LJAQVGFWSA-N    		 c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H
    ](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F; Fc1cc
    c(cc1)c2ccc([CH](Cn3ccnc3)NC(=O)c4ccc(cc
    4)c5oc(nn5)c6ccccc6)c(F)c2; Fc1ccc(cc1)c
    2ccc([C@H](Cn3ccnc3)NC(=O)c4ccc(cc4)c5oc
    (nn5)c6ccccc6)c(F)c2; Fc1ccc(cc1)c2ccc(c
    (F)c2)C(NC(=O)c5ccc(c3nnc(o3)c4ccccc4)cc
    5)Cn6ccnc6; c1ccc(cc1)c2nnc(o2)c3ccc(cc3
    )C(=O)NC(Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F    		 N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
    40537 VFW 6 C22 H25 N5 O3 InChI=1S/C22H25N5O3/c1-3-
    18-6-4-5-7-20(18)30-14-22
    (29)26(13-21(28)23-2)12-1
    7-8-10-19(11-9-17)27-16-2
    4-15-25-27/h4-11,15-16H,3
    ,12-14H2,1-2H3,(H,23,28);
    DUJWKHCSHDYNGS-UHFFFAOYSA-N    		 CCc1ccccc1OCC(=O)N(Cc2ccc(cc2)n3cncn3)CC
    (=O)NC; CCc1ccccc1OCC(=O)N(CC(=O)NC)Cc2c
    cc(cc2)n3cncn3    		 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{N}-methyl-ethanamide
    40538 VFX
    CHEMBL251694
    ZINC000000896698    		 1 C17 H27 N O2 InChI=1S/C17H27NO2/c1-18(
    2)13-16(17(19)11-5-4-6-12
    -17)14-7-9-15(20-3)10-8-1
    4/h7-10,16,19H,4-6,11-13H
    2,1-3H3/t16-/m0/s1;
    PNVNVHUZROJLTJ-INIZCTEOSA-N    		 COc1ccc(cc1)[C@H](CN(C)C)C2(O)CCCCC2; CN
    (C)C[C@@H](c1ccc(cc1)OC)C2(CCCCC2)O; OC1
    (CCCCC1)C(CN(C)C)c1ccc(OC)cc1; CN(C)CC(c
    1ccc(cc1)OC)C2(CCCCC2)O; COc1ccc(cc1)[CH
    ](CN(C)C)C2(O)CCCCC2    		 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
    40539 VFY 1 C16 H16 F3 N2 O4 InChI=1S/C16H16F3N2O4/c1-
    8-12(15(22)25-3)13(14(21(
    23)24)9(2)20-8)10-6-4-5-7
    -11(10)16(17,18)19/h4-7,1
    3,20,23H,1-3H3/t13-/m1/s1;
    XGEFGRAURZVVHS-CYBMUJFWSA-N    		 CC1=C([C@H](C(=C(N1)C)[N+](=O)[OH-])c2cc
    ccc2C(F)(F)F)C(=O)OC; CC1=C(C(C(=C(N1)C)
    [N+](=O)[OH-])c2ccccc2C(F)(F)F)C(=O)OC;
    COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)
    F)[N+]([OH-])=O)C; COC(=O)C1=C(C)NC(=C([
    C@@H]1c2ccccc2C(F)(F)F)[N+]([OH-])=O)C    		 methyl (4~{R})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
    40540 VFZ
    CHEMBL4857986    		 52 C17 H16 Cl N5 O3 S InChI=1S/C17H16ClN5O3S/c1
    8-12-3-1-2-4-13(12)27-10-
    16(25)23(9-15-21-22-17(19
    )26-15)8-11-5-6-14(24)20-
    7-11/h1-7H,8-10H2,(H2,19,
    22)(H,20,24);
    YRQRMFRLHMFRAP-UHFFFAOYSA-N    		 Nc1oc(CN(CC2=CNC(=O)C=C2)C(=O)CSc3ccccc3
    Cl)nn1; c1ccc(c(c1)SCC(=O)N(Cc2nnc(o2)N)
    CC3=CNC(=O)C=C3)Cl    		 ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(6-oxidanylidene-1~{H}-pyridin-3-yl)methyl]ethanamide
    40541 VG0
    CHEMBL252458
    ZINC000016052608    		 1 C32 H48 N4 O3 InChI=1S/C32H48N4O3/c1-6-
    33-26-19-25(20-27(21-26)3
    6-17-11-15-30(36)38)31(39
    )35-28(18-24-13-8-7-9-14-
    24)29(37)22-34-32(4,5)16-
    10-12-23(2)3/h7-9,13-14,1
    9-21,23,28-29,33-34,37H,6
    ,10-12,15-18,22H2,1-5H3,(
    H,35,39)/t28-,29+/m0/s1;
    BNTVCVCCNARYIP-URLMMPGGSA-N    		 CCNc1cc(cc(c1)N2CCCC2=O)C(=O)NC(Cc3ccccc
    3)C(CNC(C)(C)CCCC(C)C)O; CCNc1cc(cc(c1)C
    (=O)N[CH](Cc2ccccc2)[CH](O)CNC(C)(C)CCCC
    (C)C)N3CCCC3=O; CCNc1cc(cc(c1)N2CCCC2=O)
    C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)C
    CCC(C)C)O; CCNc1cc(cc(c1)C(=O)N[C@@H](Cc
    2ccccc2)[C@H](O)CNC(C)(C)CCCC(C)C)N3CCCC
    3=O; O=C(NC(Cc1ccccc1)C(O)CNC(C)(C)CCCC(
    C)C)c2cc(cc(c2)N3C(=O)CCC3)NCC    		 N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
    40542 VG1 1 C6 H13 O12 P V InChI=1S/C6H12O9P.H2O.2O.
    V/c7-1-2-3(8)4(9)5(10)6(1
    4-2)15-16(11,12)13;;;;/h2
    -6,8-10H,1H2,(H2,11,12,13
    );1H2;;;/q-1;;;;+2/p-1/t2
    -,3-,4+,5-,6-;;;;/m1..../
    s1;
    SYRDAPWACIANBN-QMKHLHGBSA-M    		 O[CH]1[CH](O)[CH](CO[V](O)(=O)=O)O[CH](O
    [P](O)(O)=O)[CH]1O; O=P(OC1OC(C(O)C(O)C1
    O)CO[V](=O)(=O)O)(O)O; O[C@H]1[C@H](O)[C
    @@H](CO[V](O)(=O)=O)O[C@H](O[P](O)(O)=O)
    [C@@H]1O; C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)
    O)O[V](=O)(=O)O; C([C@@H]1[C@H]([C@@H]([
    C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(
    =O)O    		 ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE
    40543 VG2
    CHEMBL253608
    DB08697
    ZINC000016052612    		 1 C22 H28 Cl N3 O2 InChI=1S/C22H28ClN3O2/c1-
    15-10-17(11-16(2)21(15)28
    -9-6-24)22(27)25-19-12-18
    (23)13-20(14-19)26-7-4-3-
    5-8-26/h10-14H,3-9,24H2,1
    -2H3,(H,25,27);
    JDYIYIRPQKMWMM-UHFFFAOYSA-N    		 Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3
    CCCCC3; O=C(c1cc(c(OCCN)c(c1)C)C)Nc2cc(c
    c(Cl)c2)N3CCCCC3; Cc1cc(cc(C)c1OCCN)C(=O
    )Nc2cc(Cl)cc(c2)N3CCCCC3    		 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
    40544 VG3
    CHEMBL402305
    ZINC000016052614    		 1 C31 H45 N3 O5 S InChI=1S/C31H45N3O5S/c1-3
    -4-11-19-40(38,39)27-18-1
    2-15-25(21-27)31(37)34-28
    (20-24-13-7-5-8-14-24)29(
    35)22-32-23(2)30(36)33-26
    -16-9-6-10-17-26/h5,7-8,1
    2-15,18,21,23,26,28-29,32
    ,35H,3-4,6,9-11,16-17,19-
    20,22H2,1-2H3,(H,33,36)(H
    ,34,37)/t23-,28-,29+/m0/s
    1;
    FBMGVFBNGKNQCB-WTWMYVDVSA-N    		 CCCCC[S](=O)(=O)c1cccc(c1)C(=O)N[C@@H](C
    c2ccccc2)[C@H](O)CN[C@@H](C)C(=O)NC3CCCC
    C3; CCCCC[S](=O)(=O)c1cccc(c1)C(=O)N[CH]
    (Cc2ccccc2)[CH](O)CN[CH](C)C(=O)NC3CCCCC
    3; CCCCCS(=O)(=O)c1cccc(c1)C(=O)NC(Cc2cc
    ccc2)C(CNC(C)C(=O)NC3CCCCC3)O; CCCCCS(=O
    )(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C
    @@H](CN[C@@H](C)C(=O)NC3CCCCC3)O; O=C(NC
    1CCCCC1)C(NCC(O)C(NC(=O)c2cccc(c2)S(=O)(
    =O)CCCCC)Cc3ccccc3)C    		 N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
    40545 VG4
    ZINC000038994181    		 1 C33 H44 N4 O5 InChI=1S/C33H44N4O5/c1-3-
    17-42-28-20-25(19-27(21-2
    8)37-16-10-15-31(37)39)33
    (41)36-29(18-24-11-6-4-7-
    12-24)30(38)22-34-23(2)32
    (40)35-26-13-8-5-9-14-26/
    h4,6-7,10-12,16,19-21,23,
    26,29-30,34,38H,3,5,8-9,1
    3-15,17-18,22H2,1-2H3,(H,
    35,40)(H,36,41)/t23-,29-,
    30+/m0/s1;
    OCMGZBXBWVXWRJ-KEPSJGTLSA-N    		 CCCOc1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH]
    (O)CN[CH](C)C(=O)NC3CCCCC3)N4C=CCC4=O; C
    CCOc1cc(cc(c1)N2C=CCC2=O)C(=O)NC(Cc3cccc
    c3)C(CNC(C)C(=O)NC4CCCCC4)O; CCCOc1cc(cc
    (c1)N2C=CCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C
    @@H](CN[C@@H](C)C(=O)NC4CCCCC4)O; CCCOc1
    cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)
    CN[C@@H](C)C(=O)NC3CCCCC3)N4C=CCC4=O; O=
    C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cc(OCCC)cc
    (c2)N3C=CCC3=O)Cc4ccccc4)C    		 N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide
    40546 VG5
    CHEMBL251862
    ZINC000028978361    		 2 C32 H45 N5 O4 InChI=1S/C32H45N5O4/c1-3-
    33-26-18-24(19-27(20-26)3
    7-16-10-15-30(37)39)32(41
    )36-28(17-23-11-6-4-7-12-
    23)29(38)21-34-22(2)31(40
    )35-25-13-8-5-9-14-25/h4,
    6-7,11-12,18-20,22,25,28-
    29,33-34,38H,3,5,8-10,13-
    17,21H2,1-2H3,(H,35,40)(H
    ,36,41)/t22-,28-,29+/m0/s
    1;
    ARWMRRUIIHCDKG-PWUSVURUSA-N    		 CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3
    ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)
    O; CCNc1cc(cc(c1)N2CCCC2=O)C(=O)NC(Cc3cc
    ccc3)C(CNC(C)C(=O)NC4CCCCC4)O; CCNc1cc(c
    c(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CN[CH](
    C)C(=O)NC3CCCCC3)N4CCCC4=O; O=C(NC1CCCCC
    1)C(NCC(O)C(NC(=O)c2cc(cc(c2)N3C(=O)CCC3
    )NCC)Cc4ccccc4)C; CCNc1cc(cc(c1)C(=O)N[C
    @@H](Cc2ccccc2)[C@H](O)CN[C@@H](C)C(=O)N
    C3CCCCC3)N4CCCC4=O    		 N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
    40547 VG6
    CHEMBL403429
    ZINC000016052618    		 1 C31 H35 F3 N4 O3 InChI=1S/C31H35F3N4O3/c1-
    2-36-25-16-23(17-26(18-25
    )38-13-7-12-29(38)40)30(4
    1)37-27(15-21-8-4-3-5-9-2
    1)28(39)20-35-19-22-10-6-
    11-24(14-22)31(32,33)34/h
    3-6,8-11,14,16-18,27-28,3
    5-36,39H,2,7,12-13,15,19-
    20H2,1H3,(H,37,41)/t27-,2
    8+/m0/s1;
    QPGDTFHILHXFBQ-WUFINQPMSA-N    		 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@
    H](O)CNCc3cccc(c3)C(F)(F)F)N4CCCC4=O; CC
    Nc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3cc
    ccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O; CCN
    c1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)C
    NCc3cccc(c3)C(F)(F)F)N4CCCC4=O; FC(F)(F)
    c1cccc(c1)CNCC(O)C(NC(=O)c2cc(cc(c2)N3C(
    =O)CCC3)NCC)Cc4ccccc4; CCNc1cc(cc(c1)N2C
    CCC2=O)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)
    C(F)(F)F)O    		 N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
    40548 VG7
    CHEMBL252057
    ZINC000013133641    		 1 C29 H40 N4 O3 InChI=1S/C29H40N4O3/c1-2-
    30-24-17-22(18-25(19-24)3
    3-15-9-14-28(33)35)29(36)
    32-26(16-21-10-5-3-6-11-2
    1)27(34)20-31-23-12-7-4-8
    -13-23/h3,5-6,10-11,17-19
    ,23,26-27,30-31,34H,2,4,7
    -9,12-16,20H2,1H3,(H,32,3
    6)/t26-,27+/m0/s1;
    PVDHVIVUNLQJLY-RRPNLBNLSA-N    		 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@
    H](O)CNC3CCCCC3)N4CCCC4=O; O=C(NC(Cc1ccc
    cc1)C(O)CNC2CCCCC2)c3cc(cc(c3)N4C(=O)CCC
    4)NCC; CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@
    @H](Cc3ccccc3)[C@@H](CNC4CCCCC4)O; CCNc1
    cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNC
    3CCCCC3)N4CCCC4=O; CCNc1cc(cc(c1)N2CCCC2
    =O)C(=O)NC(Cc3ccccc3)C(CNC4CCCCC4)O    		 N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
    40549 VG8
    ZINC000034285202    		 1 C30 H36 Cl N7 O2 InChI=1S/C30H36ClN7O2/c1-
    36-19-21-25(38-16-12-20(1
    3-17-38)37-14-6-3-7-15-37
    )11-10-24(27(21)29(36)39)
    33-28-22(31)18-32-30(35-2
    8)34-23-8-4-5-9-26(23)40-
    2/h4-5,8-11,18,20H,3,6-7,
    12-17,19H2,1-2H3,(H2,32,3
    3,34,35);
    CXZCUCWQLXRDJA-UHFFFAOYSA-N    		 CN1Cc2c(ccc(c2C1=O)Nc3c(cnc(n3)Nc4ccccc4
    OC)Cl)N5CCC(CC5)N6CCCCC6; Clc1cnc(nc1Nc2
    ccc(c3c2C(=O)N(C)C3)N5CCC(N4CCCCC4)CC5)N
    c6ccccc6OC; COc1ccccc1Nc2ncc(Cl)c(Nc3ccc
    (N4CCC(CC4)N5CCCCC5)c6CN(C)C(=O)c36)n2    		 4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1H-isoindol-1-one
    40550 VG9
    CHEMBL279679
    ZINC000003814952    		 3 C19 H24 N6 O2 InChI=1S/C19H24N6O2/c1-4-
    26-13-6-7-15(27-5-2)14(8-
    13)22-9-12-10-23-18-16(11
    (12)3)17(20)24-19(21)25-1
    8/h6-8,10,22H,4-5,9H2,1-3
    H3,(H4,20,21,23,24,25);
    KKMWDWUZXFYKLD-UHFFFAOYSA-N    		 CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c
    1; n1cc(c(c2c1nc(nc2N)N)C)CNc3cc(OCC)ccc
    3OCC; CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n
    3)N)N)OCC    		 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
    40551 VGA
    DB08698
    ZINC000053194178    		 4 C22 H19 N3 O S InChI=1S/C22H19N3OS/c26-1
    6-13-25(14-16)22-21(19-11
    -6-12-27-19)24-20(15-7-2-
    1-3-8-15)17-9-4-5-10-18(1
    7)23-22/h1-12,16,21,26H,1
    3-14H2/t21-/m1/s1;
    BKSGACYTXOQQNI-OAQYLSRUSA-N    		 c1ccc(cc1)C2=N[C@@H](C(=Nc3c2cccc3)N4CC(
    C4)O)c5cccs5; c1ccc(cc1)C2=NC(C(=Nc3c2cc
    cc3)N4CC(C4)O)c5cccs5; O[C@H]1CN(C1)C2=N
    c3ccccc3C(=N[C@@H]2c4sccc4)c5ccccc5; O[C
    H]1CN(C1)C2=Nc3ccccc3C(=N[CH]2c4sccc4)c5
    ccccc5; N2=C(c4ccccc4N=C(N1CC(O)C1)C2c3s
    ccc3)c5ccccc5    		 1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL
    40552 VGB
    ZINC000103559710    		 2 C19 H26 N3 O4 InChI=1S/C19H25N3O4/c1-2-
    15(24)21-16-18(26)17(25)1
    4(11-23)22-10-13(20-19(16
    )22)9-8-12-6-4-3-5-7-12/h
    3-7,10,14,16-18,23,25-26H
    ,2,8-9,11H2,1H3,(H,21,24)
    /p+1/t14-,16-,17-,18-/m1/
    s1;
    QLPMCDAONBPCJU-VDHUWJSZSA-O    		 O=C(NC3c1[n+](cc(n1)CCc2ccccc2)C(C(O)C3O
    )CO)CC; CCC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@
    H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3; CCC(=
    O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)[n+
    ]2cc(CCc3ccccc3)[nH]c12; CCC(=O)N[CH]1[C
    H](O)[CH](O)[CH](CO)[n+]2cc(CCc3ccccc3)[
    nH]c12; CCC(=O)NC1c2[nH]c(c[n+]2C(C(C1O)
    O)CO)CCc3ccccc3    		 (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium
    40553 VGC
    CHEMBL1236660
    ZINC000038317700    		 1 C20 H21 N O2 S InChI=1S/C20H21NO2S/c1-21
    -15-12-16(20(22)23)24-19(
    15)17(13-8-4-2-5-9-13)18(
    21)14-10-6-3-7-11-14/h3,6
    -7,10-13H,2,4-5,8-9H2,1H3
    ,(H,22,23);
    BNIGSPMLDODEAJ-UHFFFAOYSA-N    		 O=C(O)c1sc2c(c(n(c2c1)C)c3ccccc3)C4CCCCC
    4; Cn1c2cc(sc2c(C3CCCCC3)c1c4ccccc4)C(O)
    =O; Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=
    O)O    		 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID
    40554 VGD
    CHEMBL269158
    ZINC000005425419    		 6 C7 H6 Cl N3 InChI=1S/C7H6ClN3/c8-4-1-
    2-5-6(3-4)11-7(9)10-5/h1-
    3H,(H3,9,10,11);
    PDOCNPCPPLPXRV-UHFFFAOYSA-N    		 Clc2cc1c(nc(n1)N)cc2; Nc1[nH]c2cc(Cl)ccc
    2n1; c1cc2c(cc1Cl)[nH]c(n2)N    		 6-chloro-1H-benzimidazol-2-amine
    40555 VGF
    CHEMBL484995
    ZINC000040943275    		 4 C20 H15 Cl2 N3 InChI=1S/C20H15Cl2N3/c21-
    16-10-9-13(11-17(16)22)12
    -25-19-15(14-5-2-1-3-6-14
    )7-4-8-18(19)24-20(25)23/
    h1-11H,12H2,(H2,23,24);
    JFVMZMBFRZPOFF-UHFFFAOYSA-N    		 Nc1nc2cccc(c3ccccc3)c2n1Cc4ccc(Cl)c(Cl)c
    4; c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(
    c4)Cl)Cl; Clc1ccc(cc1Cl)Cn2c3c(nc2N)cccc
    3c4ccccc4    		 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE
    40556 VGG
    CHEMBL1236661
    DB08699
    ZINC000022048123    		 3 C17 H21 N5 InChI=1S/C17H21N5/c1-11-6
    -5-7-12(8-11)9-13-14-15(1
    8)19-10-20-16(14)22(21-13
    )17(2,3)4/h5-8,10H,9H2,1-
    4H3,(H2,18,19,20);
    FYCOTGCSHZKHPR-UHFFFAOYSA-N    		 Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N;
    n1c(c2c(nc1)n(nc2Cc3cccc(c3)C)C(C)(C)C)N
    ; Cc1cccc(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c1    		 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    40557 VGH
    CHEMBL601719
    DB08865
    ZINC000035902489    		 11 C21 H22 Cl2 F N5 O InChI=1S/C21H22Cl2FN5O/c1
    -12(19-16(22)2-3-17(24)20
    (19)23)30-18-8-13(9-27-21
    (18)25)14-10-28-29(11-14)
    15-4-6-26-7-5-15/h2-3,8-1
    2,15,26H,4-7H2,1H3,(H2,25
    ,27)/t12-/m1/s1;
    KTEIFNKAUNYNJU-GFCCVEGCSA-N    		 Clc1ccc(F)c(Cl)c1C(Oc2cc(cnc2N)c3cnn(c3)
    C4CCNCC4)C; C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2
    cc(cnc2N)c3cnn(c3)C4CCNCC4; C[CH](Oc1cc(
    cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)ccc(F)c4C
    l; CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cn
    n(c3)C4CCNCC4; C[C@@H](Oc1cc(cnc1N)c2cnn
    (c2)C3CCNCC3)c4c(Cl)ccc(F)c4Cl    		 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine;
    CRIZOTINIB
    40558 VGI
    CHEMBL559638
    DB08701
    ZINC000003087488    		 4 C20 H15 Br N2 O3 InChI=1S/C20H15BrN2O3/c21
    -12-3-1-4-13(11-12)23-19(
    25)15-6-2-5-14-17(22-9-10
    -24)8-7-16(18(14)15)20(23
    )26/h1-8,11,22,24H,9-10H2;
    JZCUVYNOSDWORZ-UHFFFAOYSA-N    		 Brc1cccc(c1)N4C(=O)c3cccc2c(ccc(c23)C4=O
    )NCCO; c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(c
    cc4NCCO)C2=O; OCCNc1ccc2C(=O)N(C(=O)c3cc
    cc1c23)c4cccc(Br)c4    		 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione
    40559 VGJ
    ZINC000004095679    		 1 C20 H40 O2 InChI=1S/C20H40O2/c1-16(2
    )9-6-10-17(3)11-7-12-18(4
    )13-8-14-19(5)15-20(21)22
    /h16-19H,6-15H2,1-5H3,(H,
    21,22)/t17-,18-,19+/m0/s1;
    RLCKHJSFHOZMDR-GBESFXJTSA-N    		 O=C(O)CC(CCCC(C)CCCC(C)CCCC(C)C)C; CC(C)
    CCC[CH](C)CCC[CH](C)CCC[CH](C)CC(O)=O; C
    C(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O; CC(C)C
    CC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(O)=O
    ; CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C
    )CC(=O)O    		 (3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid
    40560 VGK
    ZINC000037868449    		 1 C21 H20 N2 O5 InChI=1S/C21H20N2O5/c1-26
    -17-9-14(10-18(27-2)19(17
    )28-3)15-8-16(20(22)23-11
    -15)12-4-6-13(7-5-12)21(2
    4)25/h4-11H,1-3H3,(H2,22,
    23)(H,24,25);
    MWVUNZGIJWXHFJ-UHFFFAOYSA-N    		 O=C(O)c1ccc(cc1)c2cc(cnc2N)c3cc(OC)c(OC)
    c(OC)c3; COc1cc(cc(c1OC)OC)c2cc(c(nc2)N)
    c3ccc(cc3)C(=O)O; COc1cc(cc(OC)c1OC)c2cn
    c(N)c(c2)c3ccc(cc3)C(O)=O    		 4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]BENZOIC ACID
    40561 VGL
    CHEMBL613
    ZINC000001081066    		 19 C5 H4 N2 O2 InChI=1S/C5H4N2O2/c8-5(9)
    4-3-6-1-2-7-4/h1-3H,(H,8,
    9);
    NIPZZXUFJPQHNH-UHFFFAOYSA-N    		 O=C(O)c1nccnc1; c1cnc(cn1)C(=O)O; OC(=O)
    c1cnccn1    		 PYRAZINE-2-CARBOXYLIC ACID;
    PYRAZINOIC ACID
    40562 VGM
    CHEMBL600441
    ZINC000045370076    		 1 C19 H17 N3 O3 InChI=1S/C19H17N3O3/c1-25
    -17-9-13(6-7-16(17)23)14-
    8-15(18(20)22-10-14)11-2-
    4-12(5-3-11)19(21)24/h2-1
    0,23H,1H3,(H2,20,22)(H2,2
    1,24);
    MGGHBVJICDPMQM-UHFFFAOYSA-N    		 COc1cc(ccc1O)c2cnc(N)c(c2)c3ccc(cc3)C(N)
    =O; O=C(N)c1ccc(cc1)c2cc(cnc2N)c3ccc(O)c
    (OC)c3; COc1cc(ccc1O)c2cc(c(nc2)N)c3ccc(
    cc3)C(=O)N    		 4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)PYRIDIN-3-YL]BENZAMIDE
    40563 VGN
    ZINC000058649673    		 1 C21 H17 N O3 InChI=1S/C21H17NO3/c1-14(
    23)22-20-12-11-18(13-19(2
    0)21(24)25)17-9-7-16(8-10
    -17)15-5-3-2-4-6-15/h2-13
    H,1H3,(H,22,23)(H,24,25);
    XXPKIBVYLUEVCV-UHFFFAOYSA-N    		 O=C(O)c3cc(c2ccc(c1ccccc1)cc2)ccc3NC(=O)
    C; CC(=O)Nc1ccc(cc1C(O)=O)c2ccc(cc2)c3cc
    ccc3; CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c
    3ccccc3    		 2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID
    40564 VGO 5 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-IMJSIDKUSA-N    		 C1C(C(C(CN1)(O)O)O)C(=O)O; O[C@H]1[C@H](
    CNCC1(O)O)C(O)=O; O[CH]1[CH](CNCC1(O)O)C
    (O)=O; C1[C@@H]([C@@H](C(CN1)(O)O)O)C(=O
    )O    		 (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid
    40565 VGP
    ZINC000066166947    		 4 C27 H28 O9 InChI=1S/C27H28O9/c1-5-12
    -8-15-19(17(9-12)33-3)14-
    10-18(34-4)21-16(29)7-6-1
    3(20(21)25(14)36-27(15)32
    )26-23(31)22(30)24(35-26)
    11(2)28/h5-11,22-24,26-32
    H,1H2,2-4H3/t11-,22-,23-,
    24+,26-,27-/m1/s1;
    YVGUIYUDGGDTSX-ZDRXMRRKSA-N    		 CC(C1C(C(C(O1)c2ccc(c3c2c4c(cc3OC)-c5c(c
    c(cc5OC)C=C)C(O4)O)O)O)O)O; COc1cc(C=C)c
    c2[CH](O)Oc3c(cc(OC)c4c(O)ccc([CH]5O[CH]
    ([CH](C)O)[CH](O)[CH]5O)c34)c12; COc1cc(
    C=C)cc2[C@H](O)Oc3c(cc(OC)c4c(O)ccc([C@H
    ]5O[C@@H]([C@@H](C)O)[C@H](O)[C@H]5O)c34
    )c12; OC1C(OC(C(O)C)C1O)c5c4c3OC(O)c2cc(
    \C=C)cc(OC)c2c3cc(OC)c4c(O)cc5; C[C@H]([
    C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c
    (cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O
    )O)O    		 (1R)-1,4-anhydro-6-deoxy-1-[(6R)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6H-dibenzo[c,h]chromen-4-yl]-D-galactitol;
    pregilvocarcin V
    40566 VGQ
    CHEMBL4857000    		 6 C19 H15 Cl N4 O3 S InChI=1S/C19H15ClN4O3S/c2
    0-15-3-1-2-4-16(15)28-12-
    18(25)24(11-17-22-23-19(2
    6)27-17)10-14-7-5-13(9-21
    )6-8-14/h1-8H,10-12H2,(H,
    23,26);
    NBNRDDVQRANCKW-UHFFFAOYSA-N    		 Oc1oc(CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3C
    l)nn1; c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#
    N)Cc3nnc(o3)O)Cl    		 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide
    40567 VGS
    CHEMBL23579
    ZINC000013471993    		 2 C7 H12 N4 O3 S2 InChI=1S/C7H12N4O3S2/c1-7
    (2,3)4(12)9-5-10-11-6(15-
    5)16(8,13)14/h1-3H3,(H2,8
    ,13,14)(H,9,10,12);
    FNKGYWFCFILCJW-UHFFFAOYSA-N    		 CC(C)(C(Nc1nnc(S(N)(=O)=O)s1)=O)C; CC(C)
    (C)C(=O)Nc1nnc(s1)S(=O)(=O)N; CC(C)(C)C(
    =O)Nc1sc(nn1)[S](N)(=O)=O    		 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
    40568 VGT 2 C15 H17 N O3 S2 Se InChI=1S/C15H17NO3S2Se/c1
    6-21(18,19)14-8-6-13(7-9-
    14)20-10-12(17)11-22-15-4
    -2-1-3-5-15/h1-9,12,17H,1
    0-11H2,(H2,16,18,19)/t12-
    /m1/s1;
    QKCBBWIKTLMXPY-GFCCVEGCSA-N    		 c1ccc(cc1)[Se]C[C@@H](CSc2ccc(cc2)S(=O)(
    =O)N)O; c1ccc(cc1)[Se]CC(CSc2ccc(cc2)S(=
    O)(=O)N)O; N[S](=O)(=O)c1ccc(SC[CH](O)C[
    Se]c2ccccc2)cc1; N[S](=O)(=O)c1ccc(SC[C@
    @H](O)C[Se]c2ccccc2)cc1    		 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide
    40569 VGU 1 C9 H8 N2 O3 InChI=1S/C9H8N2O3/c12-8(1
    1-14)6-10-9(13)7-4-2-1-3-
    5-7/h1-6,14H,(H,11,12)/b1
    0-6+;
    FOKIIJXZYLWKMI-UXBLZVDNSA-N    		 c1ccc(cc1)C(=O)N=CC(=O)NO; c1ccc(cc1)C(=
    O)/N=C/C(=O)NO; O=C(/N=C/C(=O)NO)c1ccccc
    1; ONC(=O)C=NC(=O)c1ccccc1    		 N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide
    40570 VGV
    CHEMBL4739913    		 6 C9 H14 N4 O3 S2 InChI=1S/C9H14N4O3S2/c10-
    18(15,16)9-13-12-8(17-9)1
    1-7(14)6-4-2-1-3-5-6/h6H,
    1-5H2,(H2,10,15,16)(H,11,
    12,14);
    JZWSZGVTKNYBGX-UHFFFAOYSA-N    		 N[S](=O)(=O)c1sc(NC(=O)C2CCCCC2)nn1; C2C
    C(C(=O)Nc1nnc(S(N)(=O)=O)s1)CCC2; C1CCC(
    CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N    		 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
    40571 VGW
    CHEMBL5081944    		 1 C26 H24 Cl N7 O InChI=1S/C26H24ClN7O/c1-2
    6(2,25-30-13-16(14-31-25)
    15-4-5-15)33-21-11-23(35)
    34(3)22-7-6-17(10-18(21)2
    2)32-20-8-9-29-24(27)19(2
    0)12-28/h6-11,13-15,33H,4
    -5H2,1-3H3,(H,29,32);
    NSEPTCJLWMVQFB-UHFFFAOYSA-N    		 CC(C)(c1ncc(cn1)C2CC2)NC3=CC(=O)N(c4c3cc
    (cc4)Nc5ccnc(c5C#N)Cl)C; CN1C(=O)C=C(NC(
    C)(C)c2ncc(cn2)C3CC3)c4cc(Nc5ccnc(Cl)c5C
    #N)ccc14    		 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
    40572 VGX 4 C4 H6 O4 InChI=1S/C4H6O4/c5-2-1-3(
    6)4(7)8/h5H,1-2H2,(H,7,8);
    PUWWONYMIXRVQF-UHFFFAOYSA-N    		 C(CC(=O)C(O)=O)O; C(CO)C(=O)C(=O)O; OCCC
    (=O)C(O)=O    		 4-hydroxy-2-oxobutanoic acid
    40573 VGY
    CHEMBL4787001    		 3 C24 H22 Cl F N4 O InChI=1S/C24H22ClFN4O/c1-
    14(17-6-4-5-7-20(17)26)30
    -22-18-10-15(8-9-21(18)27
    -13-19(22)25)16-11-28-23(
    29-12-16)24(2,3)31/h4-14,
    31H,1-3H3,(H,27,30)/t14-/
    m1/s1;
    TZXWJHVVESOPPE-CQSZACIVSA-N    		 C[C@H](c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cn
    c(nc4)C(C)(C)O; C[C@@H](Nc1c(Cl)cnc2ccc(
    cc12)c3cnc(nc3)C(C)(C)O)c4ccccc4F; C[CH]
    (Nc1c(Cl)cnc2ccc(cc12)c3cnc(nc3)C(C)(C)O
    )c4ccccc4F; n1c(C(C)(C)O)ncc(c1)c3cc4c(N
    C(C)c2c(cccc2)F)c(Cl)cnc4cc3; CC(c1ccccc
    1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O    		 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
    40574 VGZ
    ZINC000000030069    		 2 C16 H16 N2 O3 InChI=1S/C16H16N2O3/c1-11
    (19)17-13-9-7-12(8-10-13)
    16(20)18-14-5-3-4-6-15(14
    )21-2/h3-10H,1-2H3,(H,17,
    19)(H,18,20);
    JJUACWJXQYGXEQ-UHFFFAOYSA-N    		 COc1ccccc1NC(=O)c2ccc(NC(C)=O)cc2; CC(=O
    )Nc1ccc(cc1)C(=O)Nc2ccccc2OC    		 4-acetamido-~{N}-(2-methoxyphenyl)benzamide
    40575 VH0
    ZINC000098209525    		 0 C8 H13 N5 O2 InChI=1S/C8H13N5O2/c9-2-5
    -4-13(12-11-5)6-1-7(8(14)
    15)10-3-6/h4,6-7,10H,1-3,
    9H2,(H,14,15)/t6-,7-/m0/s
    1;
    JFEVBUPMGGCXQM-BQBZGAKWSA-N    		 c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CN; NCc1
    cn(nn1)[CH]2CN[CH](C2)C(O)=O; c1c(nnn1C2
    CC(NC2)C(=O)O)CN; O=C(O)C2NCC(n1nnc(c1)C
    N)C2; NCc1cn(nn1)[C@@H]2CN[C@@H](C2)C(O)
    =O    		 (2S,4S)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid
    40576 VH1 1 C19 H13 N2 O5 S InChI=1S/C19H14N2O5S/c20-
    13-6-4-11(5-7-13)10-21-18
    (22)15-3-1-2-12-8-14(27(2
    4,25)26)9-16(17(12)15)19(
    21)23/h1-9H,10,20H2,(H,24
    ,25,26)/p-1;
    DTGCLOCEXRIHBE-UHFFFAOYSA-M    		 Nc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)[S]
    (O)(=O)=O)cc1; c1cc2cc(cc3c2c(c1)C(=O)N(
    C3=O)Cc4ccc(cc4)N)S(=O)(=O)O    		 2-(4-AMINOBENZYL)-1,3-DIOXO-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE-5-SULFONATE
    40577 VH2
    ZINC000095920912    		 1 C20 H15 Br N2 O3 S2 InChI=1S/C20H15BrN2O3S2/c
    21-15-10-8-13(9-11-15)12-
    17-19(24)22-20(27-17)23-2
    8(25,26)18-7-3-5-14-4-1-2
    -6-16(14)18/h1-11,24H,12H
    2,(H,22,23);
    ULFLIVGUMGQSSF-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4c
    cc(cc4)Br)O; Oc1nc(N[S](=O)(=O)c2cccc3cc
    ccc23)sc1Cc4ccc(Br)cc4    		 N-[5-[(4-BROMOPHENYL)METHYL]-4-HYDROXY-1,3-THIAZOL-2-YL]NAPHTHALENE-1-SULFONAMIDE;
    PITSTOP 2
    40578 VH3 4 C28 H36 F2 N4 O5 S InChI=1S/C28H36F2N4O5S/c1
    -14(17-10-19(29)18(11-21(
    17)39-6)22-15(2)31-13-40-
    22)32-24(36)20-9-16(35)12
    -34(20)25(37)23(27(3,4)5)
    33-26(38)28(30)7-8-28/h10
    -11,13-14,16,20,23,35H,7-
    9,12H2,1-6H3,(H,32,36)(H,
    33,38)/t14-,16+,20-,23+/m
    0/s1;
    PWPAOVSRKMPDRI-SKSOZTCFSA-N    		 Cc1c(scn1)c2cc(c(cc2F)[C@H](C)NC(=O)[C@@
    H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C
    4(CC4)F)O)OC; Cc1c(scn1)c2cc(c(cc2F)C(C)
    NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(C
    C4)F)O)OC; COc1cc(c(F)cc1[CH](C)NC(=O)[C
    H]2C[CH](O)CN2C(=O)[CH](NC(=O)C3(F)CC3)C
    (C)(C)C)c4scnc4C; COc1cc(c(F)cc1[C@H](C)
    NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC
    (=O)C3(F)CC3)C(C)(C)C)c4scnc4C    		 (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[5-fluoranyl-2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide
    40579 VH4
    CHEMBL4852189    		 2 C22 H29 F N4 O2 InChI=1S/C22H29FN4O2/c1-2
    2(2,29)16-6-8-18(9-7-16)2
    5-21(28)26-11-10-20-15(14
    -26)13-24-27(20)19-5-3-4-
    17(23)12-19/h3-5,12-13,16
    ,18,29H,6-11,14H2,1-2H3,(
    H,25,28)/t16-,18-;
    APPNXGOPROLJQR-SAABIXHNSA-N    		 CC(C)(O)[CH]1CC[CH](CC1)NC(=O)N2CCc3n(nc
    c3C2)c4cccc(F)c4; CC(C)(O)[C@@H]1CC[C@H]
    (CC1)NC(=O)N2CCc3n(ncc3C2)c4cccc(F)c4; C
    C(C)(C1CCC(CC1)NC(=O)N2CCc3c(cnn3c4cccc(
    c4)F)C2)O; C1C(CCC(C(C)(O)C)C1)NC(=O)N2C
    Cc3c(C2)cnn3c4cccc(c4)F    		 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
    40580 VH5
    CHEMBL5090408    		 1 C20 H19 Cl N6 O InChI=1S/C20H19ClN6O/c1-2
    6-6-8-27(9-7-26)18-11-19(
    28)25-16-3-2-13(10-14(16)
    18)24-17-4-5-23-20(21)15(
    17)12-22/h2-5,10-11H,6-9H
    2,1H3,(H,23,24)(H,25,28);
    SYEISTIQVVVHKQ-UHFFFAOYSA-N    		 CN1CCN(CC1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(
    c4C#N)Cl; CN1CCN(CC1)C2=CC(=O)Nc3ccc(Nc4
    ccnc(Cl)c4C#N)cc23    		 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
    40581 VH6 1 C28 H54 N8 InChI=1S/C28H54N8/c1-9-29
    -15-17-31-13-3-21-35(23-1
    9-33-11-1)25-27-5-7-28(8-
    6-27)26-36-22-4-14-32-18-
    16-30-10-2-12-34-20-24-36
    /h5-8,29-34H,1-4,9-26H2;
    YIQPUIGJQJDJOS-UHFFFAOYSA-N    		 C1NCCCNCCN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)
    CCCNC1; c1cc(ccc1CN2CCCNCCNCCCNCC2)CN3CC
    CNCCNCCCNCC3; C1CNCCNCCCN(CCNC1)Cc2ccc(C
    N3CCCNCCNCCCNCC3)cc2    		 Plerixafor;
    1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane);
    AMD3100
    40582 VH7
    CHEMBL4864805    		 2 C23 H27 N3 O2 InChI=1S/C23H27N3O2/c1-23
    (2,28)18-9-11-19(12-10-18
    )24-22(27)17-8-13-21-25-2
    0(15-26(21)14-17)16-6-4-3
    -5-7-16/h3-8,13-15,18-19,
    28H,9-12H2,1-2H3,(H,24,27
    )/t18-,19-;
    GOQZMCCBUBCPNK-WGSAOQKQSA-N    		 CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4c
    cccc4)O; CC(C)(O)[C@@H]1CC[C@H](CC1)NC(=
    O)c2ccc3nc(cn3c2)c4ccccc4; C1C(CCC(C(C)(
    O)C)C1)NC(=O)c4ccc2n(cc(n2)c3ccccc3)c4;
    CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2ccc3nc(c
    n3c2)c4ccccc4    		 N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
    40583 VH8
    CHEMBL5080163    		 1 C18 H15 Cl N6 O2 InChI=1S/C18H15ClN6O2/c1-
    21-17(27)9-23-15-7-16(26)
    25-13-3-2-10(6-11(13)15)2
    4-14-4-5-22-18(19)12(14)8
    -20/h2-7H,9H2,1H3,(H,21,2
    7)(H,22,24)(H2,23,25,26);
    KFQFCTJGGHXAIT-UHFFFAOYSA-N    		 CNC(=O)CNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3
    C#N)Cl; CNC(=O)CNC1=CC(=O)Nc2ccc(Nc3ccnc
    (Cl)c3C#N)cc12    		 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide;
    2-[[6-[(2-chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide;
    135386617
    40584 VH9
    ZINC000012359726    		 1 C11 H16 F N O InChI=1S/C11H16FNO/c1-8(2
    )13-7-11(14)9-3-5-10(12)6
    -4-9/h3-6,8,11,13-14H,7H2
    ,1-2H3/t11-/m0/s1;
    ICFWAKHBPUVWHZ-NSHDSACASA-N    		 CC(C)NCC(c1ccc(cc1)F)O; CC(C)NC[C@@H](c1
    ccc(cc1)F)O; CC(C)NC[C@H](O)c1ccc(F)cc1;
    OC(CNC(C)C)c1ccc(F)cc1; CC(C)NC[CH](O)c
    1ccc(F)cc1    		 (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol
    40585 VHA
    CHEMBL1939371
    ZINC000073224290    		 1 C21 H21 N3 O2 S InChI=1S/C21H21N3O2S/c1-1
    4-7-8-16-12-18(14)19-13-2
    0(24-21(22)23-19)27-17-6-
    4-5-15(11-17)25-9-2-3-10-
    26-16/h4-8,11-13H,2-3,9-1
    0H2,1H3,(H2,22,23,24);
    ZRQBUFWZLIUDMG-UHFFFAOYSA-N    		 Cc1ccc2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCC
    O2; n1c2c4c(ccc(OCCCCOc3cccc(Sc(nc1N)c2)
    c3)c4)C; Cc1ccc2OCCCCOc3cccc(Sc4cc(nc(N)
    n4)c1c2)c3    		 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine
    40586 VHB
    CHEMBL5080619    		 1 C19 H13 Cl N6 O InChI=1S/C19H13ClN6O/c1-2
    6-10-11(9-23-26)13-7-18(2
    7)25-16-3-2-12(6-14(13)16
    )24-17-4-5-22-19(20)15(17
    )8-21/h2-7,9-10H,1H3,(H,2
    2,24)(H,25,27);
    SDOMHVYWCBCKFI-UHFFFAOYSA-N    		 Cn1cc(cn1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c
    4C#N)Cl; Cn1cc(cn1)C2=CC(=O)Nc3ccc(Nc4cc
    nc(Cl)c4C#N)cc23    		 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
    40587 VHC
    CHEMBL1939374
    ZINC000082158382    		 1 C22 H22 N4 O2 S InChI=1S/C22H22N4O2S/c1-1
    3-9-14(2)18-11-17(13)19-1
    2-20(26-22(23)25-19)29-16
    -6-3-5-15(10-16)28-8-4-7-
    24-21(18)27/h3,5-6,9-12H,
    4,7-8H2,1-2H3,(H,24,27)(H
    2,23,25,26);
    HDKDXSZAJVZYLD-UHFFFAOYSA-N    		 Cc1cc(C)c2cc1C(=O)NCCCOc3cccc(Sc4cc2nc(N
    )n4)c3; O=C2NCCCOc4cccc(Sc3nc(nc(c1c(cc(
    c2c1)C)C)c3)N)c4; Cc1cc(c2cc1-c3cc(nc(n3
    )N)Sc4cccc(c4)OCCCNC2=O)C    		 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one
    40588 VHD
    CHEMBL1215467
    ZINC000036475913    		 2 C18 H19 N O3 InChI=1S/C18H19NO3/c1-11(
    2)14-7-15(17(21)8-16(14)2
    0)18(22)19-9-12-5-3-4-6-1
    3(12)10-19/h3-8,11,20-21H
    ,9-10H2,1-2H3;
    DPKGPEGXWFTAIR-UHFFFAOYSA-N    		 CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2; O
    =C(c1cc(c(O)cc1O)C(C)C)N3Cc2ccccc2C3; CC
    (C)c1cc(c(O)cc1O)C(=O)N2Cc3ccccc3C2    		 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL
    40589 VHE
    CHEMBL1939379
    ZINC000043200420    		 2 C19 H23 N5 O2 S InChI=1S/C19H23N5O2S/c1-1
    1-8-12(2)14-9-13(11)15-10
    -17(24-19(20)23-15)27-7-4
    -16(25)21-5-3-6-22-18(14)
    26/h8-10H,3-7H2,1-2H3,(H,
    21,25)(H,22,26)(H2,20,23,
    24);
    OMFBVBRFVYLRQT-UHFFFAOYSA-N    		 Cc1cc(C)c2cc1C(=O)NCCCNC(=O)CCSc3cc2nc(N
    )n3; O=C3NCCCNC(=O)CCSc1nc(nc(c1)c2cc3c(
    cc2C)C)N; Cc1cc(c2cc1-c3cc(nc(n3)N)SCCC(
    =O)NCCCNC2=O)C    		 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione
    40590 VHF 0 C5 H10 N O7 P InChI=1S/C5H10NO7P/c6-3(5
    (8)9)1-2-4(7)13-14(10,11)
    12/h3H,1-2,6H2,(H,8,9)(H2
    ,10,11,12)/t3-/m0/s1;
    PJRXVIJAERNUIP-VKHMYHEASA-N    		 N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O; C(CC(=
    O)OP(=O)(O)O)C(C(=O)O)N; C(CC(=O)OP(=O)(
    O)O)[C@@H](C(=O)O)N; N[C@@H](CCC(=O)O[P]
    (O)(O)=O)C(O)=O    		 (2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid
    40591 VHG 2 C33 H40 N4 O6 InChI=1S/C33H40N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h8,19,34-35H,2,7,9-15H
    2,1,3-6H3,(H,37,42)(H,38,
    39)(H,40,41)/t19-/m0/s1;
    HLNBFSQHDRNIJH-IBGZPJMESA-N    		 CCC1=C(Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4
    C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C)NC(=
    O)[CH]1C; CCC1=C(Cc2[nH]c(Cc3[nH]c(CC4=N
    C(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=
    O)c2C)NC(=O)[C@H]1C; CCC1=C(NC(=O)[C@H]1
    C)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=
    O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C; CCC1
    =C(NC(=O)C1C)Cc2c(c(c([nH]2)Cc3c(c(c([nH
    ]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=
    O)O)C    		 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
    40592 VHH
    ZINC000095921434    		 4 C12 H20 N2 O3 S InChI=1S/C12H20N2O3S/c1-1
    3-8-7-18-9(5-3-4-6-10(15)
    16)11(8)14(2)12(13)17/h8-
    9,11H,3-7H2,1-2H3,(H,15,1
    6)/t8-,9-,11-/m0/s1;
    PECDAVNFXWSGFV-QXEWZRGKSA-N    		 CN1[CH]2CS[CH](CCCCC(O)=O)[CH]2N(C)C1=O;
    CN1[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2N(C)
    C1=O; CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CC
    CCC(=O)O; O=C(O)CCCCC1SCC2N(C(=O)N(C12)C
    )C; CN1C2CSC(C2N(C1=O)C)CCCCC(=O)O    		 5-[(3aS,4S,6aR)-1,3-dimethyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
    40593 VHI
    ZINC000095920869    		 4 C18 H22 N2 O5 S InChI=1S/C18H22N2O5S/c21-
    15(22)9-5-4-8-14-16-13(11
    -26-14)20(17(23)19-16)18(
    24)25-10-12-6-2-1-3-7-12/
    h1-3,6-7,13-14,16H,4-5,8-
    11H2,(H,19,23)(H,21,22)/t
    13-,14-,16-/m0/s1;
    BWNGWJMPVBQLHD-DZKIICNBSA-N    		 c1ccc(cc1)COC(=O)N2C3CSC(C3NC2=O)CCCCC(=
    O)O; c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C
    @H]3NC2=O)CCCCC(=O)O; O=C(O)CCCCC2SCC3N(
    C(=O)OCc1ccccc1)C(=O)NC23; OC(=O)CCCC[C@
    @H]1SC[C@H]2[C@@H]1NC(=O)N2C(=O)OCc3cccc
    c3; OC(=O)CCCC[CH]1SC[CH]2[CH]1NC(=O)N2C
    (=O)OCc3ccccc3    		 5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid
    40594 VHJ 1 C29 H38 N4 O6 InChI=1S/C29H38N4O6/c1-19
    (2)25(33-29(38)39-18-21-1
    1-7-4-8-12-21)28(37)32-24
    (15-20-9-5-3-6-10-20)27(3
    6)31-23(17-34)16-22-13-14
    -30-26(22)35/h3-12,19,22-
    25,34H,13-18H2,1-2H3,(H,3
    0,35)(H,31,36)(H,32,37)(H
    ,33,38)/t22-,23-,24-,25-/
    m0/s1;
    AGWXCVPSNAWKHO-QORCZRPOSA-N    		 c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)
    =O)CO)=O)Cc3ccccc3)C(C)C)=O; CC(C)[C@@H]
    (C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C
    @@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3; CC(C)C
    (C(=O)NC(Cc1ccccc1)C(=O)NC(CC2CCNC2=O)CO
    )NC(=O)OCc3ccccc3; CC(C)[CH](NC(=O)OCc1c
    cccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CO
    )C[CH]3CCNC3=O; CC(C)[C@H](NC(=O)OCc1ccc
    cc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C
    O)C[C@@H]3CCNC3=O    		 N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide
    40595 VHK
    CHEMBL5079963    		 1 C17 H14 Cl N5 O InChI=1S/C17H14ClN5O/c1-2
    -20-15-8-16(24)23-13-4-3-
    10(7-11(13)15)22-14-5-6-2
    1-17(18)12(14)9-19/h3-8H,
    2H2,1H3,(H,21,22)(H2,20,2
    3,24);
    HQTXWNXINXRBIU-UHFFFAOYSA-N    		 CCNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12
    ; CCNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)
    Cl    		 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
    40596 VHL 4 C9 H6 N4 O3 Re InChI=1S/2C3H3N2.3CO.Re/c
    2*1-2-5-3-4-1;3*1-2;/h2*1
    -3H;;;;/q2*-1;;;;+3;
    MWUHNOZKPZGOSW-UHFFFAOYSA-N    		 [C-]#[O+].[C-]#[O+].[C-]#[O+].[Re+](n1cc
    nc1)n2ccnc2; c1cn(cn1)[Re+]([C-]#[O+])([
    C-]#[O+])([C-]#[O+])n2ccnc2    		 Tricarbonyl di(imidazole) rhenium(I);
    di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+)
    40597 VHM 1 C29 H44 N4 O6 InChI=1S/C29H44N4O6/c1-19
    (2)25(33-29(38)39-18-21-1
    1-7-4-8-12-21)28(37)32-24
    (15-20-9-5-3-6-10-20)27(3
    6)31-23(17-34)16-22-13-14
    -30-26(22)35/h4,7-8,11-12
    ,19-20,22-25,34H,3,5-6,9-
    10,13-18H2,1-2H3,(H,30,35
    )(H,31,36)(H,32,37)(H,33,
    38)/t22-,23-,24-,25-/m0/s
    1;
    LMWONCCZCSKLCL-QORCZRPOSA-N    		 CC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC
    2=O)CO)NC(=O)OCc3ccccc3; CC(C)[C@@H](C(=
    O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]
    2CCNC2=O)CO)NC(=O)OCc3ccccc3; CC(C)[C@H]
    (NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC2CCCCC2
    )C(=O)N[C@H](CO)C[C@@H]3CCNC3=O; CC(C)[C
    H](NC(=O)OCc1ccccc1)C(=O)N[CH](CC2CCCCC2
    )C(=O)N[CH](CO)C[CH]3CCNC3=O; c1ccc(cc1)
    COC(NC(C(C)C)C(=O)NC(C(NC(CC2C(NCC2)=O)C
    O)=O)CC3CCCCC3)=O    		 N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
    40598 VHN
    CHEMBL5075468    		 1 C19 H17 Cl N6 O2 InChI=1S/C19H17ClN6O2/c1-
    10(19(28)22-2)24-16-8-17(
    27)26-14-4-3-11(7-12(14)1
    6)25-15-5-6-23-18(20)13(1
    5)9-21/h3-8,10H,1-2H3,(H,
    22,28)(H,23,25)(H2,24,26,
    27)/t10-/m0/s1;
    CWFHDWACYRWCLF-JTQLQIEISA-N    		 CC(C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc
    (c3C#N)Cl; CNC(=O)[C@H](C)NC1=CC(=O)Nc2c
    cc(Nc3ccnc(Cl)c3C#N)cc12; CNC(=O)[CH](C)
    NC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12;
    C[C@@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc
    3ccnc(c3C#N)Cl    		 (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide;
    (2S)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide
    40599 VHO
    ZINC000032942957    		 3 C11 H12 F N O2 InChI=1S/C11H12FNO2/c12-8
    -2-1-3-10(6-8)15-7-11(14)
    13-9-4-5-9/h1-3,6,9H,4-5,
    7H2,(H,13,14);
    KWLDKDIUPHEWRJ-UHFFFAOYSA-N    		 c1cc(cc(c1)F)OCC(=O)NC2CC2; Fc1cccc(OCC(
    =O)NC2CC2)c1; O=C(COc1cccc(F)c1)NC1CC1    		 N-cyclopropyl-2-(3-fluorophenoxy)acetamide
    40600 VHP 1 C29 H46 N4 O7 InChI=1S/C29H46N4O7/c1-18
    (2)14-23(26(36)31-22(16-3
    4)15-21-12-13-30-25(21)35
    )32-27(37)24(19(3)40-29(4
    ,5)6)33-28(38)39-17-20-10
    -8-7-9-11-20/h7-11,18-19,
    21-24,34H,12-17H2,1-6H3,(
    H,30,35)(H,31,36)(H,32,37
    )(H,33,38)/t19-,21+,22+,2
    3+,24+/m1/s1;
    AWESOLQTDOBPDY-FFYZIMEISA-N    		 C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N
    [C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2cccc
    c2)OC(C)(C)C; CC(C)C[CH](NC(=O)[CH](NC(=
    O)OCc1ccccc1)[CH](C)OC(C)(C)C)C(=O)N[CH]
    (CO)C[CH]2CCNC2=O; CC(C)C[C@H](NC(=O)[C@
    @H](NC(=O)OCc1ccccc1)[C@@H](C)OC(C)(C)C)
    C(=O)N[C@H](CO)C[C@@H]2CCNC2=O; c1ccc(cc
    1)COC(NC(C(=O)NC(C(=O)NC(CC2C(NCC2)=O)CO
    )CC(C)C)C(C)OC(C)(C)C)=O; CC(C)CC(C(=O)N
    C(CC1CCNC1=O)CO)NC(=O)C(C(C)OC(C)(C)C)NC
    (=O)OCc2ccccc2    		 N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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