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  • Click # to view 2D diagram of the ligand.
  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
  • Count is the number of BioLiP entries with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through BioLiP.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    32601
    P1Y
    CHEMBL572124
    ZINC000043022979    		 1 C13 H11 Br N2 O5 InChI=1S/C13H11BrN2O5/c1-
    21-8-3-2-6(4-7(8)14)5-9-1
    5-10(13(19)20)11(17)12(18
    )16-9/h2-4,17H,5H2,1H3,(H
    ,19,20)(H,15,16,18);
    LQQYBZYFFRDXNT-UHFFFAOYSA-N    		 COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O; O
    =C(O)c1nc(nc(O)c1O)Cc2cc(Br)c(OC)cc2; CO
    c1ccc(Cc2nc(O)c(O)c(n2)C(O)=O)cc1Br    		 2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
    32602
    P1Z
    CHEMBL101
    DB00812
    ZINC000100004227    		 12 C19 H20 N2 O2 InChI=1S/C19H20N2O2/c1-2-
    3-14-17-18(22)20(15-10-6-
    4-7-11-15)21(19(17)23)16-
    12-8-5-9-13-16/h4-13,17H,
    2-3,14H2,1H3;
    VYMDGNCVAMGZFE-UHFFFAOYSA-N    		 O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3; C
    CCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3    		 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE
    32603
    P20
    ZINC000016051730    		 3 C10 H12 Cl N3 O2 S InChI=1S/C10H12ClN3O2S/c1
    1-8-2-1-5(14-10(12)13)3-6
    (8)7(4-17)9(15)16/h1-3,7,
    17H,4H2,(H,15,16)(H4,12,1
    3,14)/t7-/m1/s1;
    DDXTYELBFUMBFH-SSDOTTSWSA-N    		 c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl; C
    lc1ccc(cc1C(C(=O)O)CS)NC(=[N@H])N; c1cc(
    c(cc1NC(=N)N)C(CS)C(=O)O)Cl; NC(=N)Nc1cc
    c(Cl)c(c1)[CH](CS)C(O)=O; NC(=N)Nc1ccc(C
    l)c(c1)[C@@H](CS)C(O)=O    		 2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID
    32604
    P21
    DB08344
    ZINC000016052597    		 1 C24 H31 Cl N2 O2 InChI=1S/C24H31ClN2O2/c1-
    29-18-6-16-27(24(28)21-10
    -12-22(25)13-11-21)23-9-5
    -15-26(19-23)17-14-20-7-3
    -2-4-8-20/h2-4,7-8,10-13,
    23H,5-6,9,14-19H2,1H3/t23
    -/m0/s1;
    OOUGHDJEJNMXSV-QHCPKHFHSA-N    		 COCCCN([C@H]1CCCN(CCc2ccccc2)C1)C(=O)c3c
    cc(Cl)cc3; Clc1ccc(cc1)C(=O)N(C3CCCN(CCc
    2ccccc2)C3)CCCOC; COCCCN(C1CCCN(C1)CCc2c
    cccc2)C(=O)c3ccc(cc3)Cl; COCCCN([C@H]1CC
    C[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl; C
    OCCCN([CH]1CCCN(CCc2ccccc2)C1)C(=O)c3ccc
    (Cl)cc3    		 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
    32605
    P22
    DB01798
    ZINC000012501104    		 0 C2 H8 O7 P2 InChI=1S/C2H8O7P2/c1-2-8-
    11(6,7)9-10(3,4)5/h2H2,1H
    3,(H,6,7)(H2,3,4,5);
    OJDJHGIXNZPZFD-UHFFFAOYSA-N    		 CCO[P@@](O)(=O)O[P](O)(O)=O; CCO[P](O)(=
    O)O[P](O)(O)=O; CCOP(=O)(O)OP(=O)(O)O; C
    CO[P@](=O)(O)OP(=O)(O)O; O=P(OP(=O)(O)OC
    C)(O)O    		 ETHYL DIHYDROGEN DIPHOSPHATE
    32606
    P23
    DB01679    		 4 C3 H10 O7 P2 InChI=1S/C3H10O7P2/c1-2-3
    -9-12(7,8)10-11(4,5)6/h2-
    3H2,1H3,(H,7,8)(H2,4,5,6);
    JCWMAIAFQQTSAX-UHFFFAOYSA-N    		 CCCO[P@](O)(=O)O[P](O)(O)=O; O=P(O)(OP(=
    O)(OCCC)O)O; CCCOP(=O)(O)OP(=O)(O)O; CCC
    O[P@@](=O)(O)OP(=O)(O)O; CCCO[P](O)(=O)O
    [P](O)(O)=O    		 PROPYL TRIHYDROGEN DIPHOSPHATE
    32607
    P24
    ZINC000019369339    		 0 C6 H17 N3 InChI=1S/C6H17N3/c7-3-1-2
    -5-9-6-4-8/h9H,1-8H2;
    VRPPEXGZBZBARW-UHFFFAOYSA-N    		 C(CCNCCN)CN; NCCCCNCCN 1-(AMINOETHYL)AMINO-4-AMINOBUTANE;
    PA(24)
    32608
    P25
    DB02707
    ZINC000012502488    		 0 C5 H14 O7 P2 InChI=1S/C5H14O7P2/c1-2-3
    -4-5-11-14(9,10)12-13(6,7
    )8/h2-5H2,1H3,(H,9,10)(H2
    ,6,7,8);
    VFFCVKZHJFIUBM-UHFFFAOYSA-N    		 CCCCCOP(=O)(O)OP(=O)(O)O; CCCCCO[P](O)(=
    O)O[P](O)(O)=O; CCCCCO[P@@](=O)(O)OP(=O)
    (O)O; CCCCCO[P@](O)(=O)O[P](O)(O)=O; O=P
    (OP(=O)(OCCCCC)O)(O)O    		 PENTYL TRIHYDROGEN DIPHOSPHATE
    32609
    P26
    ZINC000039035256    		 1 C23 H26 O4 InChI=1S/C23H26O4/c1-21(2
    )14-22(3,4)19-13-17(9-10-
    18(19)21)23(26-11-12-27-2
    3)16-7-5-15(6-8-16)20(24)
    25/h5-10,13H,11-12,14H2,1
    -4H3,(H,24,25);
    ISZBCQLHSNHWLM-UHFFFAOYSA-N    		 CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=
    O)O)(C)C)C; CC1(C)CC(C)(C)c2cc(ccc12)C3(
    OCCO3)c4ccc(cc4)C(O)=O; O=C(O)c1ccc(cc1)
    C2(OCCO2)c3ccc4c(c3)C(C)(C)CC4(C)C    		 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid
    32610
    P27
    CHEMBL267048
    DB02651
    ZINC000024787833    		 1 C29 H23 F6 N3 O6 P2 InChI=1S/C29H23F6N3O6P2/c
    30-23-14-13-22(15-24(23)3
    1)27(38-26-4-2-1-3-25(26)
    36-37-38,16-18-5-9-20(10-
    6-18)28(32,33)45(39,40)41
    )17-19-7-11-21(12-8-19)29
    (34,35)46(42,43)44/h1-15H
    ,16-17H2,(H2,39,40,41)(H2
    ,42,43,44);
    BTAGTGWPDROBMG-UHFFFAOYSA-N    		 O[P](O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(
    F)(F)[P](O)(O)=O)(n3nnc4ccccc34)c5ccc(F)
    c(F)c5)cc1; c1ccc2c(c1)nnn2C(Cc3ccc(cc3)
    C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O
    )(O)O)c5ccc(c(c5)F)F; FC(F)(c1ccc(cc1)CC
    (c2ccc(F)c(F)c2)(n4nnc3ccccc34)Cc5ccc(cc
    5)C(F)(F)P(=O)(O)O)P(=O)(O)O    		 {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
    32611
    P28
    DB03239
    ZINC000002043134    		 2 C17 H15 N3 O9 InChI=1S/C17H15N3O9/c1-9(
    21)18-13(17(23)24)6-10-2-
    4-11(5-3-10)29-12-7-14(19
    (25)26)16(22)15(8-12)20(2
    7)28/h2-5,7-8,13,22H,6H2,
    1H3,(H,18,21)(H,23,24)/t1
    3-/m0/s1;
    VZSQTOXQXPKQJX-ZDUSSCGKSA-N    		 CC(=O)NC(Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O
    )[O-])O)[N+](=O)[O-])C(=O)O; CC(=O)N[C@@
    H](Cc1ccc(Oc2cc(c(O)c(c2)[N+]([O-])=O)[N
    +]([O-])=O)cc1)C(O)=O; CC(=O)N[CH](Cc1cc
    c(Oc2cc(c(O)c(c2)[N+]([O-])=O)[N+]([O-])
    =O)cc1)C(O)=O; CC(=O)N[C@@H](Cc1ccc(cc1)
    Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-]
    )C(=O)O; O=[N+]([O-])c2cc(Oc1ccc(cc1)CC(
    C(=O)O)NC(=O)C)cc([N+]([O-])=O)c2O    		 3',5'-DINITRO-N-ACETYL-L-THYRONINE
    32612
    P29
    CHEMBL389767
    DB08345
    ZINC000016052401    		 1 C17 H15 N9 InChI=1S/C17H15N9/c18-8-1
    2-9-22-26-15(12)24-16(23-
    13-4-2-1-3-5-13)25-17(26)
    20-7-6-14-10-19-11-21-14/
    h1-5,9-11H,6-7H2,(H,19,21
    )(H2,20,23,24,25);
    IWUUKHQIKFHWIW-UHFFFAOYSA-N    		 N#Cc1cnn2c(NCCc3[nH]cnc3)nc(Nc4ccccc4)nc
    12; c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[
    nH]4)C#N; N#Cc4cnn1c4nc(nc1NCCc2cncn2)Nc
    3ccccc3    		 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
    32613
    P2A
    ZINC000002012449    		 0 C7 H13 O8 P InChI=1S/C7H13O8P/c1-5(8)
    13-3-7(15-6(2)9)4-14-16(1
    0,11)12/h7H,3-4H2,1-2H3,(
    H2,10,11,12)/t7-/m1/s1;
    GYIRJTRGVDOQDH-SSDOTTSWSA-N    		 CC(=O)OCC(COP(=O)(O)O)OC(=O)C; O=P(O)(OC
    C(OC(=O)C)COC(=O)C)O; CC(=O)OC[CH](CO[P]
    (O)(O)=O)OC(C)=O; CC(=O)OC[C@H](CO[P](O)
    (O)=O)OC(C)=O; CC(=O)OC[C@H](COP(=O)(O)O
    )OC(=O)C    		 1,2-DIETHANOYL-SN-GLYCERO-3-PHOSPHATE
    32614
    P2B
    CHEMBL1290743
    ZINC000038792908    		 1 C19 H19 N5 O2 InChI=1S/C19H19N5O2/c25-1
    6-5-1-3-14(11-16)17-12-18
    (21-15-4-2-6-20-13-15)23-
    19(22-17)24-7-9-26-10-8-2
    4/h1-6,11-13,25H,7-10H2,(
    H,21,22,23);
    VPAXYWZGMCIWNR-UHFFFAOYSA-N    		 Oc1cccc(c1)c2cc(Nc3cccnc3)nc(n2)N4CCOCC4
    ; c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cc
    cnc4; n2c(Nc1cccnc1)cc(nc2N3CCOCC3)c4ccc
    c(O)c4    		 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
    32615
    P2C
    DB04756
    ZINC000014881299    		 6 C13 H9 Cl2 N O5 InChI=1S/C13H9Cl2NO5/c14-
    9-5-7(6-10(15)12(9)20-21-
    19)16-11-4-2-1-3-8(11)13(
    17)18/h1-6,16,19H,(H,17,1
    8);
    SNAMTVTZDPUVRA-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl
    ; Clc1cc(cc(Cl)c1OOO)Nc2ccccc2C(=O)O; OO
    Oc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl    		 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID;
    2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID
    32616
    P2D
    CHEMBL191625
    ZINC000004720638    		 6 C5 H8 O2 InChI=1S/C5H8O2/c1-4(6)3-
    5(2)7/h3H2,1-2H3;
    YRKCREAYFQTBPV-UHFFFAOYSA-N    		 CC(=O)CC(C)=O; CC(=O)CC(=O)C; O=C(C)CC(=
    O)C    		 pentane-2,4-dione
    32617
    P2E
    CHEMBL548
    DB00917
    ZINC000003830713    		 12 C20 H32 O5 InChI=1S/C20H32O5/c1-2-3-
    6-9-15(21)12-13-17-16(18(
    22)14-19(17)23)10-7-4-5-8
    -11-20(24)25/h4,7,12-13,1
    5-17,19,21,23H,2-3,5-6,8-
    11,14H2,1H3,(H,24,25)/b7-
    4-,13-12+/t15-,16+,17+,19
    +/m0/s1;
    XEYBRNLFEZDVAW-ARSRFYASSA-N    		 CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O;
    CCCCC[CH](O)C=C[CH]1[CH](O)CC(=O)[CH]1C
    C=CCCCC(O)=O; CCCCC[C@@H](\C=C\[C@H]1[C@
    @H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O; CC
    CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@
    H]1C\C=C/CCCC(O)=O; O=C1CC(O)C(/C=C/C(O)
    CCCCC)C1C\C=C/CCCC(=O)O    		 (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid;
    Prostaglandin E2
    32618
    P2F
    CHEMBL587764
    ZINC000049745031    		 6 C38 H52 N4 O6 S InChI=1S/C38H52N4O6S/c1-6
    -18-41(19-7-2)37(45)30-23
    -29(24-32(25-30)42-20-11-
    12-21-49(42,46)47)36(44)4
    0-34(22-28-14-9-8-10-15-2
    8)35(43)27-39-38(3,4)31-1
    6-13-17-33(26-31)48-5/h8-
    10,13-17,23-26,34-35,39,4
    3H,6-7,11-12,18-22,27H2,1
    -5H3,(H,40,44)/t34-,35+/m
    0/s1;
    KCQAMDDVQXZDMS-OIDHKYIRSA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)
    C(=O)NC(Cc3ccccc3)C(CNC(C)(C)c4cccc(c4)O
    C)O; CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@
    H](Cc2ccccc2)[C@H](O)CNC(C)(C)c3cccc(OC)
    c3)N4CCCC[S]4(=O)=O; CCCN(CCC)C(=O)c1cc(
    cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccc
    cc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O; O=S4
    (=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNC(c2c
    ccc(OC)c2)(C)C)cc(C(=O)N(CCC)CCC)c3)CCCC
    4; CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[CH](C
    c2ccccc2)[CH](O)CNC(C)(C)c3cccc(OC)c3)N4
    CCCC[S]4(=O)=O    		 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide
    32619
    P2G
    DB04757
    ZINC000012504496    		 1 C11 H14 N5 O8 P InChI=1S/C11H14N5O8P/c12-
    10-14-7-4(8(18)15-10)13-2
    -16(7)9-6-5(3(1-17)22-9)2
    3-11(24-6)25(19,20)21/h2-
    3,5-6,9,11,17H,1H2,(H2,19
    ,20,21)(H3,12,14,15,18)/t
    3-,5-,6-,9-,11+/m1/s1;
    GKAPYWCOOQBBHV-KXSYMAMXSA-N    		 c1nc2c(n1C3C4C(C(O3)CO)OC(O4)P(=O)(O)O)N
    =C(NC2=O)N; c1nc2c(n1[C@H]3[C@H]4[C@@H](
    [C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2
    =O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H]
    (CO)[C@H]4O[C@@H](O[C@@H]34)[P](O)(O)=O;
    NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]
    4O[CH](O[CH]34)[P](O)(O)=O; O=C4NC(=Nc1c
    4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N    		 (2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID;
    GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE
    32620
    P2H
    CHEMBL196726
    ZINC000013643025    		 3 C13 H16 N O7 P2 InChI=1S/C13H15NO7P2/c15-
    13(22(16,17)18,23(19,20)2
    1)10-14-8-4-7-12(9-14)11-
    5-2-1-3-6-11/h1-9,15H,10H
    2,(H3-,16,17,18,19,20,21)
    /p+1;
    ZYEONEYSNIUGRA-UHFFFAOYSA-O    		 O=P(O)(O)C(O)(P(=O)(O)O)C[n+]2cccc(c1ccc
    cc1)c2; OC(C[n+]1cccc(c1)c2ccccc2)([P](O
    )(O)=O)[P](O)(O)=O; c1ccc(cc1)c2ccc[n+](
    c2)CC(O)(P(=O)(O)O)P(=O)(O)O    		 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium
    32621
    P2I    		 0 C13 H22 O13 P InChI=1S/C13H23O13P/c1-5(
    14)23-3-7(25-6(2)15)4-24-
    27(21,22)26-13-11(19)9(17
    )8(16)10(18)12(13)20/h7-1
    3,16-20H,3-4H2,1-2H3,(H,2
    1,22)/p-1/t7-,8-,9-,10+,1
    1+,12-,13-/m0/s1;
    WCCWBLFRGXINLH-IKRGOOTDSA-M    		 O=C(OCC(OC(=O)C)COP([O-])(=O)OC1C(O)C(O)
    C(O)C(O)C1O)C; CC(=O)OCC(COP(=O)([O-])OC
    1C(C(C(C(C1O)O)O)O)O)OC(=O)C; CC(=O)OC[C
    @@H](CO[P@@](=O)([O-])OC1[C@H]([C@@H](C(
    [C@@H]([C@H]1O)O)O)O)O)OC(=O)C; CC(=O)OC
    [CH](CO[P]([O-])(=O)O[CH]1[CH](O)[CH](O)
    [CH](O)[CH](O)[CH]1O)OC(C)=O; CC(=O)OC[C
    @@H](CO[P]([O-])(=O)O[C@@H]1[C@@H](O)[C@
    H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O    		 1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOINOSITOL
    32622
    P2J    		 0 C19 H31 N7 O5 InChI=1S/C19H31N7O5/c1-2-
    3-4-6-25(7-5-11(20)19(29)
    30)8-12-14(27)15(28)18(31
    -12)26-10-24-13-16(21)22-
    9-23-17(13)26/h9-12,14-15
    ,18,27-28H,2-8,20H2,1H3,(
    H,29,30)(H2,21,22,23)/t11
    -,12-,14-,15+,18-/m0/s1;
    IZQBBTVZUZUZGN-VQYVRKMMSA-N    		 CCCCCN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2
    ncnc3N)O)O; CCCCCN(CC[C@@H](C(=O)O)N)C[C
    @H]1[C@@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N
    )O)O; c2nc(N)c3ncn(C1OC(C(O)C1O)CN(CCC(C
    (O)=O)N)CCCCC)c3n2; CCCCCN(CC[C@H](N)C(O
    )=O)C[C@@H]1O[C@@H]([C@H](O)[C@H]1O)n2cn
    c3c(N)ncnc23; CCCCCN(CC[CH](N)C(O)=O)C[C
    H]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23    		 9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine
    32623
    P2K    		 0 C12 H26 O7 InChI=1S/C12H26O7/c13-1-3
    -15-5-7-17-9-11-19-12-10-
    18-8-6-16-4-2-14/h13-14H,
    1-12H2;
    IIRDTKBZINWQAW-UHFFFAOYSA-N    		 O(CCO)CCOCCOCCOCCOCCO; OCCOCCOCCOCCOCCOC
    CO; C(COCCOCCOCCOCCOCCO)O    		 POLYETHYLENE GLYCOL PEG2000
    32624
    P2L
    CHEMBL4072538
    ZINC000134330948    		 3 C11 H17 Cl N4 O InChI=1S/C11H17ClN4O/c1-1
    5-5-3-4-8(7-15)14-9-6-13-
    16(2)11(17)10(9)12/h6,8,1
    4H,3-5,7H2,1-2H3/t8-/m1/s
    1;
    LEPPHANDICKARV-MRVPVSSYSA-N    		 CN1CCC[CH](C1)NC2=C(Cl)C(=O)N(C)N=C2; CN
    1CCC[C@H](C1)NC2=C(Cl)C(=O)N(C)N=C2; CN1
    CCCC(C1)NC2=C(C(=O)N(N=C2)C)Cl; CN1CCC[C
    @H](C1)NC2=C(C(=O)N(N=C2)C)Cl    		 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
    32625
    P2M
    ZINC000000313574    		 2 C16 H14 N2 O2 S InChI=1S/C16H14N2O2S/c19-
    21(20,18-12-14-8-3-4-11-1
    7-14)16-10-5-7-13-6-1-2-9
    -15(13)16/h1-11,18H,12H2;
    LYUIYUXDRYTIOE-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3; O=[
    S](=O)(NCc1ccccn1)c2cccc3ccccc23; O=S(=O
    )(NCc1ncccc1)c3c2ccccc2ccc3    		 N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
    32626
    P2N
    CHEMBL1235084
    DB08346
    ZINC000038443836    		 1 C17 H19 Cl O5 InChI=1S/C17H19ClO5/c18-1
    6-12-9-11(19)7-5-3-1-2-4-
    6-8-23-17(22)15(12)13(20)
    10-14(16)21/h2,4,10,20-21
    H,1,3,5-9H2/b4-2+;
    YUZYDHRGGDTZLG-DUXPYHPUSA-N    		 c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCOC2=O)O;
    Oc1cc(O)c2C(=O)OCC/C=C/CCCCC(=O)Cc2c1Cl
    ; O=C1OCCC=CCCCCC(=O)Cc2c1c(O)cc(O)c2Cl;
    c1c(c2c(c(c1O)Cl)CC(=O)CCCC\C=C\CCOC2=O
    )O; Oc1cc(O)c2C(=O)OCCC=CCCCCC(=O)Cc2c1C
    l    		 (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE
    32627
    P2O
    ZINC000034632696    		 1 C6 H7 N O2 InChI=1S/C6H7NO2/c1-2-3-7
    -4-5-9-6(7)8/h1H,3-5H2;
    LLGPRHHHEVBUJY-UHFFFAOYSA-N    		 C#CCN1CCOC1=O; O=C1OCCN1CC#C 3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE;
    1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE
    32628
    P2P
    DB02905
    ZINC000012502817    		 1 C10 H13 N4 O8 P InChI=1S/C10H13N4O8P/c15-
    6-5(2-21-23(18,19)20)22-9
    (7(6)16)14-3-12-8-4(14)1-
    11-10(17)13-8/h1,3,5-7,9,
    15-16H,2H2,(H,11,13,17)(H
    2,18,19,20)/t5-,6-,7-,9+/
    m1/s1;
    BVZASCINAVSQNO-PULFBKJNSA-N    		 c1c2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)nc(
    n1)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O
    )=O)n2cnc3nc(O)ncc23; O[C@H]1[C@@H](O)[C
    @H](O[C@@H]1CO[P](O)(O)=O)n2cnc3nc(O)ncc
    23; c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H]
    (O3)COP(=O)(O)O)O)O)nc(n1)O; O=P(O)(O)OC
    C3OC(n2cnc1nc(O)ncc12)C(O)C3O    		 N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE;
    PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
    32629
    P2Q
    ZINC000058650489    		 0 C20 H22 N2 O6 InChI=1S/C20H22N2O6/c21-1
    6(20(26)27)9-13-10-17(19(
    25)11-18(13)24)22-14(12-2
    3)5-4-8-28-15-6-2-1-3-7-1
    5/h1-7,10-12,14,16,22,24-
    25H,8-9,21H2,(H,26,27)/b5
    -4+/t14-,16-/m0/s1;
    KEYWGUHMZKSCTL-QNKPMFPBSA-N    		 c1ccc(cc1)OCC=CC(C=O)Nc2cc(c(cc2O)O)CC(C
    (=O)O)N; N[C@@H](Cc1cc(N[C@H](C=O)\C=C\C
    Oc2ccccc2)c(O)cc1O)C(O)=O; N[CH](Cc1cc(N
    [CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O;
    c1ccc(cc1)OC/C=C/[C@@H](C=O)Nc2cc(c(cc2O
    )O)C[C@@H](C(=O)O)N    		 2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine;
    3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine
    32630
    P2R    		 1 C25 H26 N4 O2 InChI=1S/C25H26N4O2/c26-2
    4-10-8-17-6-5-16(13-21(17
    )28-24)15-27-25(31)18-7-9
    -23-20(14-18)19-3-1-2-4-2
    2(19)29(23)11-12-30/h5-10
    ,13-14,30H,1-4,11-12,15H2
    ,(H2,26,28)(H,27,31);
    KDIMVKXBQNTHIJ-UHFFFAOYSA-N    		 Nc1nc2cc(ccc2cc1)CNC(=O)c1cc2c(cc1)n(CCO
    )c1CCCCc21; c1cc(cc2c1ccc(n2)N)CNC(=O)c3
    ccc4c(c3)c5c(n4CCO)CCCC5; Nc1ccc2ccc(CNC
    (=O)c3ccc4n(CCO)c5CCCCc5c4c3)cc2n1    		 N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
    32631
    P2S
    ZINC000033821454    		 2 C9 H19 N2 O8 P S InChI=1S/C9H19N2O8PS/c1-2
    -6(8(12)13)5-21(19,11-20(
    16,17)18)4-3-7(10)9(14)15
    /h6-7H,2-5,10H2,1H3,(H,12
    ,13)(H,14,15)(H2,16,17,18
    )/t6-,7+,21-/m1/s1;
    LVBQTRQMXKDEFG-CRRUPIIHSA-N    		 CCC(CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N)C(=O
    )O; CC[C@H](C[S](=O)(CC[C@H](N)C(O)=O)=N
    [P](O)(O)=O)C(O)=O; CC[C@H](C[S@](=NP(=O
    )(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O; CC[C
    H](C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=
    O)C(O)=O; O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C
    (=O)O)N)(O)O    		 (2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID;
    N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID
    32632
    P2T
    ZINC000058638569    		 0 C13 H21 N2 O9 P InChI=1S/C13H21N2O9P/c1-3
    -4-22-10-9(16)8(6-23-25(1
    9,20)21)24-12(10)15-5-7(2
    )11(17)14-13(15)18/h5,8-1
    0,12,16H,3-4,6H2,1-2H3,(H
    ,14,17,18)(H2,19,20,21)/t
    8-,9-,10-,12-/m1/s1;
    YCUXLAVNRCJWRL-DNRKLUKYSA-N    		 O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCC)COP(=O
    )(O)O; CCCOC1C(C(OC1N2C=C(C(=O)NC2=O)C)C
    OP(=O)(O)O)O; CCCO[C@@H]1[C@@H]([C@H](O[
    C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O; C
    CCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1
    N2C=C(C)C(=O)NC2=O; CCCO[C@@H]1[C@H](O)[
    C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C(C)C(=O)
    NC2=O    		 2'-O-PROPYL THYMIDINE-5-MONOPHOSPHATE
    32633
    P2U
    ZINC000013552201    		 0 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-5
    -1-6(4-2-10-9(14)11-8(4)1
    3)19-7(5)3-18-20(15,16)17
    /h2,5-7,12H,1,3H2,(H2,15,
    16,17)(H2,10,11,13,14)/t5
    -,6+,7+/m0/s1;
    QJNQHNJPOXCQQR-RRKCRQDMSA-N    		 O=P(OCC2OC(C1=CNC(=O)NC1=O)CC2O)(O)O; C1
    [C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(
    =O)(O)O)O; C1C(C(OC1C2=CNC(=O)NC2=O)COP(
    =O)(O)O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)
    =O)C2=CNC(=O)NC2=O; O[C@H]1C[C@@H](O[C@@
    H]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O    		 2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHATE
    32634
    P2V    		 2 C26 H30 N6 S InChI=1S/C26H30N6S/c1-17(
    2)22-23-24(32-31-22)25(30
    -26(29-23)33-20-12-14-27-
    15-13-20)28-16-19-10-6-7-
    11-21(19)18-8-4-3-5-9-18/
    h3-11,17,20,27H,12-16H2,1
    -2H3,(H,31,32)(H,28,29,30
    );
    JSWSIHXBXVQRFW-UHFFFAOYSA-N    		 CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC
    5CCNCC5)nc12; CC(C)c1c2c(c(nc(n2)SC3CCNC
    C3)NCc4ccccc4c5ccccc5)n[nH]1    		 ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
    32635
    P2X
    CHEMBL1241674
    ZINC000036056301    		 2 C16 H16 N6 O InChI=1S/C16H16N6O/c1-8(2
    )22-16-13(15(17)18-7-19-1
    6)14(21-22)12-6-9-5-10(23
    )3-4-11(9)20-12/h3-8,20,2
    3H,1-2H3,(H2,17,18,19);
    MFAQYJIYDMLAIM-UHFFFAOYSA-N    		 n1c(c2c(nc1)n(nc2c4cc3cc(O)ccc3n4)C(C)C)
    N; CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c
    (ncn2)N; CC(C)n1nc(c2[nH]c3ccc(O)cc3c2)c
    4c(N)ncnc14    		 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
    32636
    P2Y
    DB03253
    ZINC000039357503    		 4 C5 H12 N2 InChI=1S/C5H12N2/c6-4-5-2
    -1-3-7-5/h5,7H,1-4,6H2/t5
    -/m0/s1;
    AUKXFNABVHIUAC-YFKPBYRVSA-N    		 NC[CH]1CCCN1; C1C[C@H](NC1)CN; C1CC(NC1)
    CN; NCC1NCCC1; NC[C@@H]1CCCN1    		 (2S)-PYRROLIDIN-2-YLMETHYLAMINE
    32637
    P2Z
    CHEMBL564
    DB00420
    ZINC000000010402    		 2 C17 H20 N2 S InChI=1S/C17H20N2S/c1-18(
    2)12-7-13-19-14-8-3-5-10-
    16(14)20-17-11-6-4-9-15(1
    7)19/h3-6,8-11H,7,12-13H2
    ,1-2H3;
    ZGUGWUXLJSTTMA-UHFFFAOYSA-N    		 CN(C)CCCN1c2ccccc2Sc3ccccc13; S2c1ccccc1
    N(c3c2cccc3)CCCN(C)C; CN(C)CCCN1c2ccccc2
    Sc3c1cccc3    		 Promazine;
    N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
    32638
    P30
    CHEMBL576982
    DB12874
    ZINC000043204002    		 3 C29 H32 N6 O4 S InChI=1S/C29H32N6O4S/c1-2
    9(2,3)25-17-26(33-39-25)3
    2-27(36)30-20-6-4-19(5-7-
    20)22-18-35-23-9-8-21(16-
    24(23)40-28(35)31-22)38-1
    5-12-34-10-13-37-14-11-34
    /h4-9,16-18H,10-15H2,1-3H
    3,(H2,30,32,33,36);
    CVWXJKQAOSCOAB-UHFFFAOYSA-N    		 O=C(Nc1noc(c1)C(C)(C)C)Nc6ccc(c4nc5sc3c(
    ccc(OCCN2CCOCC2)c3)n5c4)cc6; CC(C)(C)c1c
    c(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4
    n3)OCCN6CCOCC6; CC(C)(C)c1onc(NC(=O)Nc2c
    cc(cc2)c3cn4c(sc5cc(OCCN6CCOCC6)ccc45)n3
    )c1    		 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea;
    Quizartinib;
    PLX3397
    32639
    P31
    CHEMBL3813873
    DB12978
    ZINC000115705166    		 2 C20 H15 Cl F3 N5 InChI=1S/C20H15ClF3N5/c21
    -15-6-16-14(10-28-19(16)2
    9-11-15)5-12-2-4-18(26-7-
    12)27-9-13-1-3-17(25-8-13
    )20(22,23)24/h1-4,6-8,10-
    11H,5,9H2,(H,26,27)(H,28,
    29);
    JGWRKYUXBBNENE-UHFFFAOYSA-N    		 c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(n
    c4)C(F)(F)F; FC(F)(F)c1ccc(CNc2ccc(Cc3c[
    nH]c4ncc(Cl)cc34)cn2)cn1; FC(F)(F)c1ncc(
    cc1)CNc2ncc(cc2)Cc4c3cc(Cl)cnc3nc4    		 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine
    32640
    P32
    DB08347
    ZINC000053683105    		 14 C16 H21 N3 O2 InChI=1S/C16H21N3O2/c1-16
    (2,3)18-9-12(20)10-21-15-
    6-4-5-14-13(15)7-11(8-17)
    19-14/h4-6,12,18,20H,7,9-
    10H2,1-3H3/t12-/m0/s1;
    CQEFAUFOQSCRMZ-LBPRGKRZSA-N    		 CC(C)(C)NC[C@H](O)COc1cccc2N=C(Cc12)C#N;
    N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2; CC
    (C)(C)NCC(COc1cccc2c1CC(=N2)C#N)O; CC(C)
    (C)NC[CH](O)COc1cccc2N=C(Cc12)C#N; CC(C)
    (C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O    		 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
    32641
    P33
    DB03394
    ZINC000005178829    		 2 C14 H30 O8 InChI=1S/C14H30O8/c15-1-3
    -17-5-7-19-9-11-21-13-14-
    22-12-10-20-8-6-18-4-2-16
    /h15-16H,1-14H2;
    XPJRQAIZZQMSCM-UHFFFAOYSA-N    		 OCCOCCOCCOCCOCCOCCOCCO; O(CCOCCO)CCOCCOC
    COCCOCCO; C(COCCOCCOCCOCCOCCOCCO)O    		 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL;
    HEPTAETHYLENE GLYCOL;
    PEG330
    32642
    P34
    CHEMBL372303
    DB08348
    ZINC000000008960    		 26 C17 H17 N3 O2 InChI=1S/C17H17N3O2/c1-20
    (2)10-16(21)18-11-7-8-15-
    14(9-11)12-5-3-4-6-13(12)
    17(22)19-15/h3-9H,10H2,1-
    2H3,(H,18,21)(H,19,22);
    UYJZZVDLGDDTCL-UHFFFAOYSA-N    		 CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2;
    CN(C)CC(=O)Nc1ccc2NC(=O)c3ccccc3c2c1; O
    =C(Nc3ccc1c(c2c(C(=O)N1)cccc2)c3)CN(C)C    		 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
    32643
    P35
    CHEMBL4091824
    ZINC000584905679    		 1 C19 H23 N3 O4 S InChI=1S/C19H23N3O4S/c23-
    17-3-4-19(18(24)10-17)27(
    25,26)22-11-13-1-2-16(9-1
    4(13)12-22)21-15-5-7-20-8
    -6-15/h1-4,9-10,15,20-21,
    23-24H,5-8,11-12H2;
    HQHMYMINMCVYMC-UHFFFAOYSA-N    		 c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc
    (cc4O)O; Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3c
    cc(NC4CCNCC4)cc3C2; c1cc(O)cc(c1S(=O)(N2
    Cc3ccc(cc3C2)NC4CCNCC4)=O)O    		 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol
    32644
    P36
    CHEMBL1095447
    ZINC000034270053    		 1 C19 H16 Br N O2 InChI=1S/C19H16BrNO2/c20-
    18-17(23-14-16-9-5-2-6-10
    -16)11-12-21(19(18)22)13-
    15-7-3-1-4-8-15/h1-12H,13
    -14H2;
    VBZTXJCTVYBOKW-UHFFFAOYSA-N    		 c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3;
    BrC2=C(OCc1ccccc1)C=CN(C2=O)Cc3ccccc3;
    BrC1=C(OCc2ccccc2)C=CN(Cc3ccccc3)C1=O    		 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
    32645
    P37
    CHEMBL559401
    DB08349
    ZINC000039273513    		 1 C24 H21 F2 N5 O2 InChI=1S/C24H21F2N5O2/c1-
    13-3-4-14(23(33)28-16-6-7
    -16)9-19(13)29-20-11-22(3
    2)30(2)24-17(20)12-27-31(
    24)21-8-5-15(25)10-18(21)
    26/h3-5,8-12,16,29H,6-7H2
    ,1-2H3,(H,28,33);
    WMEYCLAVMZKZCS-UHFFFAOYSA-N    		 Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F
    )F)C)C(=O)NC5CC5; CN1C(=O)C=C(Nc2cc(ccc2
    C)C(=O)NC3CC3)c4cnn(c5ccc(F)cc5F)c14; O=
    C(NC1CC1)c2cc(c(cc2)C)NC=4c3cnn(c3N(C(=O
    )C=4)C)c5ccc(F)cc5F    		 N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
    32646
    P38
    ZINC000039046721    		 1 C33 H32 N8 O3 InChI=1S/C33H32N8O3/c1-21
    -9-10-26(38-32(42)25-11-1
    2-34-29(17-25)40-13-15-44
    -16-14-40)18-28(21)39-31-
    30-22(2)27(19-41(30)36-20
    -35-31)33(43)37-23(3)24-7
    -5-4-6-8-24/h4-12,17-20H,
    3,13-16H2,1-2H3,(H,37,43)
    (H,38,42)(H,35,36,39);
    ABOUJDCZZMNXIR-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4
    ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6; Cc1cc
    c(NC(=O)c2ccnc(c2)N3CCOCC3)cc1Nc4ncnn5cc
    (C(=O)NC(=C)c6ccccc6)c(C)c45; O=C(NC(/c1
    ccccc1)=C)c6c(c2n(ncnc2Nc3c(ccc(c3)NC(=O
    )c4cc(ncc4)N5CCOCC5)C)c6)C    		 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
    32647
    P39
    CHEMBL408150
    ZINC000014210675    		 1 C34 H35 N7 O3 InChI=1S/C34H35N7O3/c1-22
    -12-13-27(38-33(42)26-10-
    7-11-28(18-26)40-14-16-44
    -17-15-40)19-30(22)39-32-
    31-23(2)29(20-41(31)36-21
    -35-32)34(43)37-24(3)25-8
    -5-4-6-9-25/h4-13,18-21,2
    4H,14-17H2,1-3H3,(H,37,43
    )(H,38,42)(H,35,36,39)/t2
    4-/m0/s1;
    KYFKCMGDXJZZIZ-DEOSSOPVSA-N    		 C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccc
    c(c4)N5CCOCC5)ccc3C)c2c1C)c6ccccc6; O=C(
    NC(c1ccccc1)C)c6c(c2n(ncnc2Nc3c(ccc(c3)N
    C(=O)c4cc(ccc4)N5CCOCC5)C)c6)C; Cc1ccc(c
    c1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4cccc
    c4)C)NC(=O)c5cccc(c5)N6CCOCC6; C[CH](NC(
    =O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N5CCO
    CC5)ccc3C)c2c1C)c6ccccc6; Cc1ccc(cc1Nc2c
    3c(c(cn3ncn2)C(=O)NC(C)c4ccccc4)C)NC(=O)
    c5cccc(c5)N6CCOCC6    		 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
    32648
    P3A    		 7 C41 H78 O15 P2 InChI=1S/C41H80O15P2/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-40(45)51-35-3
    9(56-41(46)30-28-26-24-22
    -20-18-16-14-12-10-8-6-4-
    2)36-55-58(49,50)54-34-38
    (44)33-53-57(47,48)52-32-
    37(43)31-42/h14,16,37-39,
    42-44H,3-13,15,17-36H2,1-
    2H3,(H,47,48)(H,49,50)/p-
    2/b16-14-/t37-,38+,39+/m0
    /s1;
    LXWNXFZWWXODAH-XOLIOQKMSA-L    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(
    =O)OC[C@H](O)CO[P]([O-])(=O)OC[C@@H](O)C
    O)OC(=O)CCCCCCC\C=C/CCCCCC; CCCCCCCCCCCC
    CCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](CO
    P(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/
    C=C\CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](C
    O[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC
    [CH](O)CO)OC(=O)CCCCCCCC=CCCCCCC; CCCCCC
    CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=
    O)([O-])OCC(CO)O)O)OC(=O)CCCCCCCC=CCCCCC
    C; O=C(OC(COP([O-])(=O)OCC(O)COP([O-])(=
    O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCC
    C\C=C/CCCCCC    		 PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL
    32649
    P3B
    ZINC000263620661    		 4 C15 H19 N2 O9 P InChI=1S/C15H19N2O9P/c1-7
    -13(19)10(9(4-16-7)6-26-2
    7(23,24)25)5-17-11-2-8(15
    (21)22)3-12(18)14(11)20/h
    2,4-5,12,14,16,18-20H,3,6
    H2,1H3,(H,21,22)(H2,23,24
    ,25)/b10-5-,17-11+/t12-,1
    4-/m1/s1;
    KOPNIGHVUGDBMS-FEZKIMOASA-N    		 CC1=C(C(=CN=C2C=C(CC(C2O)O)C(=O)O)C(=CN1
    )COP(=O)(O)O)O; CC1=C(O)C(=CN=C2C=C(C[CH
    ](O)[CH]2O)C(O)=O)C(=CN1)CO[P](O)(O)=O;
    CC1=C(/C(=C\N=C\2/C=C(C[C@H]([C@@H]2O)O)
    C(=O)O)/C(=CN1)COP(=O)(O)O)O; OP(O)(=O)O
    CC1=CNC(C)=C(C1=[C@H]\N=C2/C=C(C(O)=O)CC
    (C2O)O)O; CC1=C(O)C(=C/N=C2C=C(C[C@@H](O
    )[C@@H]2O)C(O)=O)\C(=CN1)CO[P](O)(O)=O    		 (3E,4R,5R)-4,5-dihydroxy-3-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid
    32650
    P3C    		 1 Cl3 Pt InChI=1S/3ClH.Pt/h3*1H;/q
    ;;;+2/p-3;
    UGPIIBDOUTZDQE-UHFFFAOYSA-K    		 Cl[Pt-](Cl)Cl TRICHLOROPLATINATE
    32651
    P3D
    ZINC000058633064    		 2 C13 H22 N3 O5 P InChI=1S/C13H22N3O5P/c1-1
    0-13(17)12(8-15-6-4-2-3-5
    -14)11(7-16-10)9-21-22(18
    ,19)20/h7-8,17H,2-6,9,14H
    2,1H3,(H2,18,19,20)/b15-8
    +;
    NPYALNYUWCUSTP-OVCLIPMQSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCCN)O; O=
    P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C; Cc1c
    (c(c(cn1)COP(=O)(O)O)\C=N\CCCCCN)O; Cc1n
    cc(CO[P](O)(O)=O)c(C=NCCCCCN)c1O    		 (4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
    32652
    P3E    		 4 C28 H36 N10 O18 P3 InChI=1S/C28H35N10O18P3/c
    1-11-3-2-4-12(5-11)6-36-1
    0-38(22-16(36)24(44)35-28
    (30)33-22)26-20(42)18(40)
    14(54-26)8-52-58(47,48)56
    -59(49,50)55-57(45,46)51-
    7-13-17(39)19(41)25(53-13
    )37-9-31-15-21(37)32-27(2
    9)34-23(15)43/h2-5,9-10,1
    3-14,17-20,25-26,39-42H,6
    -8H2,1H3,(H8-,29,30,32,33
    ,34,35,43,44,45,46,47,48,
    49,50)/p+1/t13-,14-,17-,1
    8-,19-,20-,25-,26-/m1/s1;
    PSRZFZZOIWOJQD-RTZOWOBBSA-O    		 Cc1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)C4
    C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC
    5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O; C
    c1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)[C@
    H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=
    O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H
    ](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O; Cc1ccc
    c(Cn2c[n+]([CH]3O[CH](CO[P](O)(=O)O[P](O
    )(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]
    4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)c
    7N=C(N)NC(=O)c27)c1; Cc1cccc(Cn2c[n+]([C
    @@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](
    O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5
    cnc6C(=O)NC(=Nc56)N)[C@@H](O)[C@H]3O)c7N
    =C(N)NC(=O)c27)c1    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
    32653
    P3F
    ZINC000058660309    		 2 C18 H18 F3 N4 O7 P InChI=1S/C18H18F3N4O7P/c1
    -10-16(27)13(11(6-22-10)9
    -32-33(29,30)31)7-24-25-1
    5(26)8-23-17(28)12-4-2-3-
    5-14(12)18(19,20)21/h2-7,
    27H,8-9H2,1H3,(H,23,28)(H
    ,25,26)(H2,29,30,31)/b24-
    7+;
    MCLYFEQPXXDFPI-HCBMXOAHSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NNC(=O)CNC(=O
    )c2ccccc2C(F)(F)F)O; Cc1ncc(CO[P](O)(O)=
    O)c(C=NNC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1O
    ; Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\NC(=O)CN
    C(=O)c2ccccc2C(F)(F)F)O; FC(F)(F)c1ccccc
    1C(=O)NCC(=O)N/N=C/c2c(cnc(c2O)C)COP(=O)
    (O)O; Cc1ncc(CO[P](O)(O)=O)c(\C=N\NC(=O)
    CNC(=O)c2ccccc2C(F)(F)F)c1O    		 PHOSPHORIC ACID MONO-(5-HYDROXY-6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-PYRIDIN-3-YLMETHYL)ESTER
    32654
    P3G
    DB02343
    ZINC000005650744    		 0 C12 H26 O5 InChI=1S/C12H26O5/c1-3-13
    -5-7-15-9-11-17-12-10-16-
    8-6-14-4-2/h3-12H2,1-2H3;
    HYDWALOBQJFOMS-UHFFFAOYSA-N    		 CCOCCOCCOCCOCCOCC; O(CC)CCOCCOCCOCCOCC 3,6,9,12,15-PENTAOXAHEPTADECANE
    32655
    P3H    		 3 C35 H63 O13 P InChI=1S/C35H63O13P/c1-3-
    5-7-9-11-12-13-14-15-16-1
    7-18-20-22-24-29(37)47-27
    (25-45-28(36)23-21-19-10-
    8-6-4-2)26-46-49(43,44)48
    -35-33(41)31(39)30(38)32(
    40)34(35)42/h14-15,17-18,
    27,30-35,38-42H,3-13,16,1
    9-26H2,1-2H3,(H,43,44)/b1
    5-14-,18-17-/t27-,30-,31-
    ,32+,33-,34-,35-/m1/s1;
    YESDZPSNSSEMJX-BCWHKXFCSA-N    		 CCCCCCCC/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O
    )CCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C
    @H]([C@H]1O)O)O)O)O; CCCCCCCC\C=C/C\C=C/
    CCCC(=O)O[C@H](COC(=O)CCCCCCCC)CO[P](O)(
    =O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H
    ](O)[C@H]1O; CCCCCCCCC=CCC=CCCCC(=O)OC(C
    OC(=O)CCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)
    O)O)O)O; CCCCCCCCC=CCC=CCCCC(=O)O[CH](CO
    C(=O)CCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[
    CH](O)[CH](O)[CH](O)[CH]1O    		 [(2~{R})-1-nonanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z})-heptadeca-5,8-dienoate
    32656
    P3I
    ZINC000584905683    		 4 C18 H17 Br N4 O4 S InChI=1S/C18H17BrN4O4S/c1
    -22(28(26,27)13-8-3-2-4-9
    -13)15-16(20)23(18(25)21-
    17(15)24)11-12-7-5-6-10-1
    4(12)19/h2-10H,11,20H2,1H
    3,(H,21,24,25);
    WBWGAIAXWOULFV-UHFFFAOYSA-N    		 CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2Br)N)S(=O)
    (=O)c3ccccc3; CN(C1=C(N)N(Cc2ccccc2Br)C(
    =O)NC1=O)[S](=O)(=O)c3ccccc3    		 N-(6-Amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide
    32657
    P3J
    ZINC000004992729    		 1 C8 H8 N4 InChI=1S/C8H8N4/c9-8-4-7(
    11-12-8)6-2-1-3-10-5-6/h1
    -5H,(H3,9,11,12);
    USKHSGIEOVXVFW-UHFFFAOYSA-N    		 Nc1[nH]nc(c1)c2cccnc2; c1cc(cnc1)c2cc([n
    H]n2)N; n1cccc(c1)c2nnc(c2)N    		 3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE
    32658
    P3K
    ZINC000002581326    		 2 C7 H5 N O2 InChI=1S/C7H5NO2/c8-4-5-2
    -1-3-6(9)7(5)10/h1-3,9-10
    H;
    XHPDHXXZBWDFIB-UHFFFAOYSA-N    		 Oc1cccc(C#N)c1O; c1cc(c(c(c1)O)O)C#N 2,3-bis(oxidanyl)benzenecarbonitrile
    32659
    P3L    		 3 C15 H17 Cl N2 O3 InChI=1S/C15H17ClN2O3/c16
    -9-1-2-13-12(7-9)11(4-6-2
    1-13)15(20)18-10-3-5-17-1
    4(19)8-10/h1-2,7,10-11H,3
    -6,8H2,(H,17,19)(H,18,20)
    /t10-,11-/m1/s1;
    LDVBEXIDVVQUFA-GHMZBOCLSA-N    		 Clc1ccc2OCC[CH](C(=O)N[CH]3CCNC(=O)C3)c2
    c1; c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)N[C@@H
    ]3CCNC(=O)C3; c1cc2c(cc1Cl)C(CCO2)C(=O)N
    C3CCNC(=O)C3; Clc1ccc2OCC[C@@H](C(=O)N[C
    @@H]3CCNC(=O)C3)c2c1; O=C1CC(CCN1)NC(=O)
    C1CCOc2ccc(Cl)cc21    		 (4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    32660
    P3N
    CHEMBL3218845
    ZINC000098209284    		 4 C32 H38 N6 O5 InChI=1S/C32H38N6O5/c1-20
    -11-13-23(14-12-20)19-33-
    28(39)24(16-15-22-9-7-6-8
    -10-22)34-29(40)25(35-30(
    41)26-17-21(2)42-37-26)18
    -27-36-31(38-43-27)32(3,4
    )5/h6-14,17,24-25H,15-16,
    18-19H2,1-5H3,(H,33,39)(H
    ,34,40)(H,35,41)/t24-,25-
    /m0/s1;
    OHMJOYZRJHYMAE-DQEYMECFSA-N    		 Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O
    )[C@H](Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(on4
    )C; Cc1onc(c1)C(=O)N[C@@H](Cc2onc(n2)C(C
    )(C)C)C(=O)N[C@@H](CCc3ccccc3)C(=O)NCc4c
    cc(C)cc4; Cc1ccc(cc1)CNC(=O)C(CCc2ccccc2
    )NC(=O)C(Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(o
    n4)C; Cc1onc(c1)C(=O)N[CH](Cc2onc(n2)C(C
    )(C)C)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4ccc
    (C)cc4; O=C(NCc1ccc(cc1)C)C(NC(=O)C(NC(=
    O)c2noc(c2)C)Cc3nc(no3)C(C)(C)C)CCc4cccc
    c4    		 N-[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
    32661
    P3O
    CHEMBL5275131    		 14 C23 H21 Cl N4 O2 InChI=1S/C23H21ClN4O2/c1-
    26-21-9-10-27(13-18-4-2-3
    -17(11-18)12-25)15-20(21)
    22(29)28(23(26)30)14-16-5
    -7-19(24)8-6-16/h2-8,11H,
    9-10,13-15H2,1H3;
    OUHFVWVTONSREN-UHFFFAOYSA-N    		 Clc1ccc(cc1)CN1C(=O)C=2CN(CCC=2N(C)C1=O)
    Cc1cccc(C#N)c1; CN1C2=C(CN(CC2)Cc3cccc(c
    3)C#N)C(=O)N(C1=O)Cc4ccc(cc4)Cl; CN1C(=O
    )N(Cc2ccc(Cl)cc2)C(=O)C3=C1CCN(Cc4cccc(c
    4)C#N)C3    		 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile
    32662
    P3P
    ZINC000038788873    		 11 C5 H13 N O7 P2 InChI=1S/C5H13NO7P2/c1-14
    (9,13-15(10,11)12)3-2-4(6
    )5(7)8/h4H,2-3,6H2,1H3,(H
    ,7,8)(H2,10,11,12)/t4-,14
    +/m0/s1;
    UXRZHSKRCMUNIN-YZSVAWROSA-N    		 CP(=O)(CCC(C(=O)O)N)OP(=O)(O)O; C[P@](=O
    )(CC[C@H](N)C(O)=O)O[P](O)(O)=O; C[P@](=
    O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O; C[P](=O
    )(CC[CH](N)C(O)=O)O[P](O)(O)=O; O=P(OP(=
    O)(O)O)(CCC(C(=O)O)N)C    		 (2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID;
    PHOSPHINOTHRICIN PHOSPHATE
    32663
    P3Q
    ZINC000058660590    		 0 C21 H24 N2 O5 InChI=1S/C21H24N2O5/c22-1
    7(21(27)28)11-15-12-18(20
    (26)13-19(15)25)23-16(9-1
    0-24)8-4-7-14-5-2-1-3-6-1
    4/h1-3,5-6,9-10,12-13,17,
    23,25-26H,4,7-8,11,22H2,(
    H,27,28)/b16-9+/t17-/m0/s
    1;
    HHNJWLBRCQJYIP-NDCSFFLDSA-N    		 N[C@@H](Cc1cc(NC(/CCCc2ccccc2)=C/C=O)c(O
    )cc1O)C(O)=O; c1ccc(cc1)CCCC(=CC=O)Nc2cc
    (c(cc2O)O)CC(C(=O)O)N; N[CH](Cc1cc(NC(CC
    Cc2ccccc2)=CC=O)c(O)cc1O)C(O)=O; c1ccc(c
    c1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](
    C(=O)O)N    		 2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine
    32664
    P3R
    CHEMBL5219401    		 1 C14 H19 N O3 InChI=1S/C14H19NO3/c1-9-1
    1-8-13(18-4)12(17-3)7-10(
    11)5-6-15(2)14(9)16/h7-9H
    ,5-6H2,1-4H3/t9-/m1/s1;
    PREGEFBQCOFCDI-SECBINFHSA-N    		 COc1cc2CCN(C)C(=O)[C@H](C)c2cc1OC; C[C@@
    H]1c2cc(c(cc2CCN(C1=O)C)OC)OC; CC1c2cc(c
    (cc2CCN(C1=O)C)OC)OC; COc1cc2CCN(C)C(=O)
    [CH](C)c2cc1OC    		 (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one
    32665
    P3S
    ZINC000014653634    		 110 C5 H13 N2 O6 P S InChI=1S/C5H13N2O6PS/c1-1
    5(13,7-14(10,11)12)3-2-4(
    6)5(8)9/h4H,2-3,6H2,1H3,(
    H,8,9)(H2,10,11,12)/t4-,1
    5-/m0/s1;
    QQFOFBSCSWFFPB-NMAPHRJESA-N    		 O=P(N=S(=O)(CCC(N)C(=O)O)C)(O)O; C[S](=O
    )(CC[C@H](N)C(O)=O)=N[P](O)(O)=O; C[S](=
    O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O; CS(=NP
    (=O)(O)O)(=O)CCC(C(=O)O)N; C[S@](=NP(=O)
    (O)O)(=O)CC[C@@H](C(=O)O)N    		 L-METHIONINE-S-SULFOXIMINE PHOSPHATE
    32666
    P3T
    ZINC000016052386    		 2 C12 H22 N3 O5 P InChI=1S/C12H22N3O5P/c1-9
    -12(16)11(7-14-5-3-2-4-13
    )10(6-15-9)8-20-21(17,18)
    19/h6,14,16H,2-5,7-8,13H2
    ,1H3,(H2,17,18,19);
    MXDZELCJRJAUEI-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CNCCCCN)c1O; O=P(
    O)(O)OCc1cnc(c(O)c1CNCCCCN)C; Cc1c(c(c(c
    n1)COP(=O)(O)O)CNCCCCN)O    		 (4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    PHOSPHORIC ACID MONO-{4-[(4-AMINO-BUTYLAMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
    32667
    P3U
    CHEMBL3357685
    ZINC000098209285    		 1 C24 H30 Cl2 N6 O2 S InChI=1S/C24H30Cl2N6O2S/c
    1-15(2)11-21-23(16(3)31(4
    )29-21)30-35(33,34)24-19(
    25)12-18(13-20(24)26)17-5
    -6-28-22(14-17)32-9-7-27-
    8-10-32/h5-6,12-15,27,30H
    ,7-11H2,1-4H3;
    WKTSLVQYGBHNRV-UHFFFAOYSA-N    		 Cc1c(c(nn1C)CC(C)C)NS(=O)(=O)c2c(cc(cc2C
    l)c3ccnc(c3)N4CCNCC4)Cl; Clc3cc(c2ccnc(N
    1CCNCC1)c2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4CC
    (C)C)C)C; CC(C)Cc1nn(C)c(C)c1N[S](=O)(=O
    )c2c(Cl)cc(cc2Cl)c3ccnc(c3)N4CCNCC4    		 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE
    32668
    P3V    		 2 C27 H37 N3 O8 S InChI=1S/C27H37N3O8S/c1-1
    8(2)15-30(39(34,35)21-10-
    8-20(28)9-11-21)17-27(32,
    33)24(14-19-6-4-3-5-7-19)
    29-26(31)38-23-16-37-25-2
    2(23)12-13-36-25/h3-11,18
    ,22-25,32-33H,12-17,28H2,
    1-2H3,(H,29,31)/t22-,23-,
    24-,25+/m0/s1;
    SEALSZHQUGCNGX-OJJQZRKESA-N    		 CC(C)CN(CC(O)(O)[CH](Cc1ccccc1)NC(=O)O[C
    H]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(N)c
    c4; CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3
    C2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N; CC(C)C
    N(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@
    H]3[C@H]2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N;
    CC(C)CN(CC(O)(O)[C@H](Cc1ccccc1)NC(=O)O
    [C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4c
    cc(N)cc4; Nc1ccc(cc1)S(=O)(=O)N(CC(C(Cc2
    ccccc2)NC(=O)OC3C4C(OC3)OCC4)(O)O)CC(C)C    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate
    32669
    P3X    		 1 C35 H68 N O8 P InChI=1S/C35H68NO8P/c1-3-
    5-7-9-11-13-15-16-18-20-2
    2-24-26-28-35(38)44-33(32
    -43-45(39,40)42-30-29-36)
    31-41-34(37)27-25-23-21-1
    9-17-14-12-10-8-6-4-2/h10
    ,12,33H,3-9,11,13-32,36H2
    ,1-2H3,(H,39,40)/b12-10+/
    t33-/m1/s1;
    IXIBEFBSXYIWMP-VCRBCDDQSA-N    		 CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC
    CC=CCCCC)COP(=O)(O)OCCN; CCCCCCCCCCCCCCC
    C(=O)O[CH](COC(=O)CCCCCCCC=CCCCC)CO[P](O
    )(=O)OCCN; NCCOP(O)(=O)OCC(COC(=O)CCCCCC
    C\C=C\CCCC)OC(=O)CCCCCCCCCCCCCCC; CCCCCC
    CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCC)C
    OP(=O)(O)OCCN; CCCCCCCCCCCCCCCC(=O)O[C@H
    ](COC(=O)CCCCCCC/C=C/CCCC)CO[P](O)(=O)OC
    CN    		 (5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate
    32670
    P3Y
    CHEMBL1235103
    DB08350
    ZINC000016052463    		 3 C22 H20 N4 O2 InChI=1S/C22H20N4O2/c1-26
    (2)22(27)16-8-14(10-23-11
    -16)15-9-18-19(13-25-21(1
    8)24-12-15)17-6-4-5-7-20(
    17)28-3/h4-13H,1-3H3,(H,2
    4,25);
    GYQRHHQPEMOLKH-UHFFFAOYSA-N    		 COc1ccccc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(
    =O)N(C)C; O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2
    c3ccccc3OC)cnc4; CN(C)C(=O)c1cc(cnc1)c2c
    c3c(c[nH]c3nc2)c4ccccc4OC    		 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE
    32671
    P3Z
    ZINC000000057202    		 1 C15 H16 N2 O2 InChI=1S/C15H16N2O2/c1-19
    -14-6-4-12(5-7-14)15(18,1
    1-2-3-11)13-8-16-10-17-9-
    13/h4-11,18H,2-3H2,1H3/t1
    5-/m0/s1;
    HUTDUHSNJYTCAR-HNNXBMFYSA-N    		 COc1ccc(cc1)C(c2cncnc2)(C3CC3)O; COc1ccc
    (cc1)[C@](c2cncnc2)(C3CC3)O; COc1ccc(cc1
    )[C@@](O)(C2CC2)c3cncnc3; COc1ccc(cc1)[C
    ](O)(C2CC2)c3cncnc3; OC(c1cncnc1)(c2ccc(
    OC)cc2)C3CC3    		 (S)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol
    32672
    P40
    CHEMBL494072
    DB08351
    ZINC000020148990    		 1 C25 H29 N5 O2 InChI=1S/C25H29N5O2/c1-17
    -2-3-19(24(31)28-21-5-6-2
    1)15-22(17)18-4-7-23-20(1
    4-18)16-27-25(29-23)26-8-
    9-30-10-12-32-13-11-30/h2
    -4,7,14-16,21H,5-6,8-13H2
    ,1H3,(H,28,31)(H,26,27,29
    );
    MNEXDVSJIUQQRH-UHFFFAOYSA-N    		 Cc1ccc(cc1c2ccc3nc(NCCN4CCOCC4)ncc3c2)C(
    =O)NC5CC5; Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N
    CCN4CCOCC4)C(=O)NC5CC5; O=C(NC1CC1)c2cc(
    c(cc2)C)c4ccc3nc(ncc3c4)NCCN5CCOCC5    		 N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide;
    N-cyclopropyl-4-methyl-3-(2-((2-(4-morpholinyl)ethyl)amino)-6-quinazolinyl)benzamide
    32673
    P41
    CHEMBL257341
    DB08352
    ZINC000016052868    		 2 C19 H16 F N3 O S InChI=1S/C19H16FN3OS/c1-1
    1(2)22-19-23-15-8-7-12(9-
    16(15)25-19)18-17(21-10-2
    4-18)13-5-3-4-6-14(13)20/
    h3-11H,1-2H3,(H,22,23);
    FQYJTHIYAQQJAB-UHFFFAOYSA-N    		 CC(C)Nc1sc2cc(ccc2n1)c3ocnc3c4ccccc4F; F
    c1ccccc1c4ncoc4c2ccc3nc(sc3c2)NC(C)C; CC
    (C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F    		 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine
    32674
    P42    		 7 C42 H88 N O8 P InChI=1S/C42H88NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -24-26-28-30-32-34-41(44)
    48-38-40(39-50-52(46,47)4
    9-37-36-43(3,4)5)51-42(45
    )35-33-31-29-27-25-22-19-
    17-15-13-11-9-7-2/h40-42,
    44-45H,6-39H2,1-5H3/t40-,
    41+,42+/m0/s1;
    LYKCEYRWVRQPBD-FEWNNGCESA-N    		 CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](CO[P](
    [O-])(=O)OCC[N+](C)(C)C)O[C@@H](O)CCCCCC
    CCCCCCCCC; CCCCCCCCCCCCCCCCC[CH](O)OC[CH
    ](CO[P]([O-])(=O)OCC[N+](C)(C)C)O[CH](O)
    CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC(O)OC
    C(COP(=O)([O-])OCC[N+](C)(C)C)OC(CCCCCCC
    CCCCCCCC)O; CCCCCCCCCCCCCCCCC[C@H](O)OC[
    C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H]
    (CCCCCCCCCCCCCCC)O; [O-]P(=O)(OCC[N+](C)
    (C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCC
    CCCCCCCCCCCCC    		 (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate;
    1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine
    32675
    P43
    CHEMBL272997
    ZINC000003962193    		 6 C25 H23 F N2 O2 InChI=1S/C25H23FN2O2/c26-
    23-7-2-1-5-20(23)8-9-22-1
    0-11-24(30-22)25(29)28-14
    -12-19(13-15-28)21-6-3-4-
    18(16-21)17-27/h1-7,10-11
    ,16,19H,12-15,17,27H2;
    FTLQSQQQFMZPKO-UHFFFAOYSA-N    		 NCc1cccc(c1)C2CCN(CC2)C(=O)c3oc(cc3)C#Cc
    4ccccc4F; O=C(c2oc(C#Cc1ccccc1F)cc2)N4CC
    C(c3cccc(c3)CN)CC4; c1ccc(c(c1)C#Cc2ccc(
    o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F    		 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine
    32676
    P44
    CHEMBL438303
    DB08353
    ZINC000016052397    		 1 C19 H21 N7 InChI=1S/C19H21N7/c20-11-
    15-13-22-26-17(15)24-18(2
    1-12-14-7-3-1-4-8-14)25-1
    9(26)23-16-9-5-2-6-10-16/
    h2,5-6,9-10,13-14H,1,3-4,
    7-8,12H2,(H2,21,23,24,25);
    NCVMTHVSAJMOPI-UHFFFAOYSA-N    		 c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4;
    N#Cc4cnn1c4nc(nc1Nc2ccccc2)NCC3CCCCC3;
    N#Cc1cnn2c(Nc3ccccc3)nc(NCC4CCCCC4)nc12    		 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
    32677
    P45
    CHEMBL230347
    DB08354
    ZINC000016052398    		 1 C19 H14 Cl N7 InChI=1S/C19H14ClN7/c20-1
    5-8-6-13(7-9-15)11-22-18-
    25-17-14(10-21)12-23-27(1
    7)19(26-18)24-16-4-2-1-3-
    5-16/h1-9,12H,11H2,(H2,22
    ,24,25,26);
    QCVULERVJOYHCP-UHFFFAOYSA-N    		 Clc1ccc(CNc2nc(Nc3ccccc3)n4ncc(C#N)c4n2)
    cc1; c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4cc
    c(cc4)Cl; Clc1ccc(cc1)CNc3nc2c(C#N)cnn2c
    (n3)Nc4ccccc4    		 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
    32678
    P46
    ZINC000584905678    		 1 C23 H27 N5 O6 S InChI=1S/C23H27N5O6S/c24-
    19(11-22(25)31)23(32)27-7
    -5-16(6-8-27)26-17-2-1-14
    -12-28(13-15(14)9-17)35(3
    3,34)21-4-3-18(29)10-20(2
    1)30/h1-4,9-10,12-13,16,1
    9,26,29-30H,5-8,11,24H2,(
    H2,25,31)/t19-/m0/s1;
    HAMJZOUVHDEUSM-IBGZPJMESA-N    		 c1(cc(c(cc1)S(=O)(=O)n3cc2cc(ccc2c3)NC4C
    CN(C(C(CC(=O)N)N)=O)CC4)O)O; c1cc2cn(cc2
    cc1NC3CCN(CC3)C(=O)C(CC(=O)N)N)S(=O)(=O)
    c4ccc(cc4O)O; c1cc2cn(cc2cc1NC3CCN(CC3)C
    (=O)[C@H](CC(=O)N)N)S(=O)(=O)c4ccc(cc4O)
    O; N[CH](CC(N)=O)C(=O)N1CCC(CC1)Nc2ccc3c
    n(cc3c2)[S](=O)(=O)c4ccc(O)cc4O; N[C@@H]
    (CC(N)=O)C(=O)N1CCC(CC1)Nc2ccc3cn(cc3c2)
    [S](=O)(=O)c4ccc(O)cc4O    		 (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide
    32679
    P47
    CHEMBL539134
    ZINC000042923782    		 1 C17 H15 Cl O2 InChI=1S/C17H15ClO2/c18-1
    6-10-7-13(8-11-16)6-9-15(
    12-17(19)20)14-4-2-1-3-5-
    14/h1-5,7-8,10-12H,6,9H2,
    (H,19,20)/b15-12-;
    LLJYFDRQFPQGNY-QINSGFPZSA-N    		 Clc1ccc(cc1)CCC(\c2ccccc2)=C\C(=O)O; c1c
    cc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl; OC(
    =O)C=C(CCc1ccc(Cl)cc1)c2ccccc2; OC(=O)\C
    =C(CCc1ccc(Cl)cc1)/c2ccccc2; c1ccc(cc1)C
    (=CC(=O)O)CCc2ccc(cc2)Cl    		 (2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
    32680
    P48
    CHEMBL564829
    DB16232
    ZINC000053119602    		 4 C25 H32 N8 O InChI=1S/C25H32N8O/c1-25(
    2)14-16-15-27-24(29-20(16
    )22-19(25)21(23(34)26-3)3
    0-32(22)5)28-17-6-8-18(9-
    7-17)33-12-10-31(4)11-13-
    33/h6-9,15H,10-14H2,1-5H3
    ,(H,26,34)(H,27,28,29);
    RXZMYLDMFYNEIM-UHFFFAOYSA-N    		 CNC(=O)c1nn(C)c2c3nc(Nc4ccc(cc4)N5CCN(C)
    CC5)ncc3CC(C)(C)c12; O=C(NC)c3nn(c2c1nc(
    ncc1CC(c23)(C)C)Nc4ccc(cc4)N5CCN(C)CC5)C
    ; CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4c
    cc(cc4)N5CCN(CC5)C)C    		 N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
    32681
    P49
    CHEMBL1098060
    DB08355
    ZINC000039001795    		 2 C17 H15 N5 O2 InChI=1S/C17H15N5O2/c1-22
    -15-12(14(21-22)16(23)24)
    8-7-10-9-18-17(20-13(10)1
    5)19-11-5-3-2-4-6-11/h2-6
    ,9H,7-8H2,1H3,(H,23,24)(H
    ,18,19,20);
    ZOBRPBVIEUWYJR-UHFFFAOYSA-N    		 Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4cccc
    c4; O=C(O)c2nn(c3c1nc(ncc1CCc23)Nc4ccccc
    4)C; Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc
    3c12    		 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
    32682
    P4A
    CHEMBL192894
    DB08356
    ZINC000004641406    		 3 C17 H16 N2 O3 InChI=1S/C17H16N2O3/c1-10
    -16(11-3-6-13(22-2)7-4-11
    )17(19-18-10)14-8-5-12(20
    )9-15(14)21/h3-9,20-21H,1
    -2H3,(H,18,19);
    GSBFARPNIZUMHA-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c(C)[nH]nc2c3ccc(O)cc3O; O
    c3ccc(c2nnc(c2c1ccc(OC)cc1)C)c(O)c3; Cc1
    c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC    		 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol;
    3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1h-pyrazole
    32683
    P4B    		 6 C6 H14 N2 O3 InChI=1S/C6H14N2O3/c1-4(9
    )8-5(2-3-7)6(10)11/h4-5,8
    -9H,2-3,7H2,1H3,(H,10,11)
    /t4-,5+/m0/s1;
    WSKLDXXLKTXXMW-CRCLSJGQSA-N    		 C[C@H](O)N[C@H](CCN)C(O)=O; C[C@@H](N[C@
    H](CCN)C(=O)O)O; CC(NC(CCN)C(=O)O)O; C[C
    H](O)N[CH](CCN)C(O)=O    		 (2~{R})-4-azanyl-2-[[(1~{S})-1-oxidanylethyl]amino]butanoic acid
    32684
    P4C
    ZINC000005828795    		 0 C14 H28 O8 InChI=1S/C14H28O8/c15-1-3
    -17-5-7-19-9-11-21-13-14-
    22-12-10-20-8-6-18-4-2-16
    /h1,16H,2-14H2;
    CTLLATPOKUEFSQ-UHFFFAOYSA-N    		 C(COCCOCCOCCOCCOCCOCC=O)O; OCCOCCOCCOCCO
    CCOCCOCC=O; O=CCOCCOCCOCCOCCOCCOCCO    		 O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL;
    POLYETHYLENE 400
    32685
    P4D
    ZINC000066166520    		 1 C13 H18 N O7 P InChI=1S/C13H18NO7P/c14-1
    1(5-8-1-3-10(15)4-2-8)22(
    20,21)7-9(13(18)19)6-12(1
    6)17/h1-4,9,11,15H,5-7,14
    H2,(H,16,17)(H,18,19)(H,2
    0,21)/t9-,11+/m0/s1;
    UESSIRUCJXFQBC-GXSJLCMTSA-N    		 c1cc(ccc1C[C@H](N)P(=O)(C[C@H](CC(=O)O)C
    (=O)O)O)O; N[C@@H](Cc1ccc(O)cc1)[P](O)(=
    O)C[C@H](CC(O)=O)C(O)=O; N[CH](Cc1ccc(O)
    cc1)[P](O)(=O)C[CH](CC(O)=O)C(O)=O; O=C(
    O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccc(O)cc1; c
    1cc(ccc1CC(N)P(=O)(CC(CC(=O)O)C(=O)O)O)O    		 (2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid;
    L-TYR-D-ASP PHOSPHINATE PSEUDODIPEPTIDE
    32686
    P4E
    ZINC000002385776    		 0 C11 H13 N O2 InChI=1S/C11H13NO2/c12-10
    (11(13)14)8-4-7-9-5-2-1-3
    -6-9/h1-7,10H,8,12H2,(H,1
    3,14)/b7-4+/t10-/m0/s1;
    MCGSKGBMVBECNS-QBBOHKLWSA-N    		 c1ccc(cc1)C=CCC(C(=O)O)N; N[C@@H](C\C=C\
    c1ccccc1)C(O)=O; c1ccc(cc1)C=CC[C@@H](C(
    =O)O)N; O=C(O)C(N)C/C=C/c1ccccc1; N[CH](
    CC=Cc1ccccc1)C(O)=O    		 (2S,4E)-2-amino-5-phenylpent-4-enoic acid
    32687
    P4F
    ZINC000098209286    		 2 C5 H8 F2 N O6 P InChI=1S/C5H8F2NO6P/c6-5(
    7,15(12,13)14)3(9)1-2(8)4
    (10)11/h2H,1,8H2,(H,10,11
    )(H2,12,13,14)/t2-/m1/s1;
    WIAFNWXXJIHDPS-UWTATZPHSA-N    		 C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O;
    N[C@H](CC(=O)C(F)(F)[P](O)(O)=O)C(O)=O;
    O=C(C(F)(F)P(=O)(O)O)CC(C(=O)O)N; N[CH](
    CC(=O)C(F)(F)[P](O)(O)=O)C(O)=O; C(C(C(=
    O)O)N)C(=O)C(F)(F)P(=O)(O)O    		 5,5-difluoro-4-oxo-5-phosphono-D-norvaline
    32688
    P4G
    CHEMBL1235106
    DB08357
    ZINC000002041052    		 0 C8 H18 O3 InChI=1S/C8H18O3/c1-3-9-5
    -7-11-8-6-10-4-2/h3-8H2,1
    -2H3;
    RRQYJINTUHWNHW-UHFFFAOYSA-N    		 O(CCOCCOCC)CC; CCOCCOCCOCC 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE
    32689
    P4H
    CHEMBL3182608
    ZINC000002512313    		 3 C13 H10 O5 InChI=1S/C13H10O5/c14-8-2
    -3-9(11(16)6-8)13(18)7-1-
    4-10(15)12(17)5-7/h1-6,14
    -17H;
    UQQYIAVMUUJWGX-UHFFFAOYSA-N    		 Oc1ccc(c(O)c1)C(=O)c2ccc(O)c(O)c2; c1cc(
    c(cc1C(=O)c2ccc(cc2O)O)O)O    		 [2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone
    32690
    P4I    		 14 C22 H19 Br N4 O InChI=1S/C22H19BrN4O/c23-
    19-6-4-16(5-7-19)13-27-15
    -25-21-8-9-26(14-20(21)22
    (27)28)12-18-3-1-2-17(10-
    18)11-24/h1-7,10,15H,8-9,
    12-14H2;
    OMSVNMQQTCODGS-UHFFFAOYSA-N    		 c1cc(cc(c1)C#N)CN2CCC3=C(C2)C(=O)N(C=N3)
    Cc4ccc(cc4)Br; Brc1ccc(cc1)CN1C=NC=2CCN(
    Cc3cccc(C#N)c3)CC=2C1=O; Brc1ccc(CN2C=NC
    3=C(CN(CC3)Cc4cccc(c4)C#N)C2=O)cc1    		 3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile
    32691
    P4J    		 1 C8 H9 N2 O22 V6 InChI=1S/C8H9N2O4.15H2O.3
    O.6V/c11-3-5-6(12)7(13)8(
    14-5)10-2-1-9-4-10;;;;;;;
    ;;;;;;;;;;;;;;;;;/h1-2,4-
    8H,3H2;15*1H2;;;;;;;;;/q-
    3;;;;;;;;;;;;;;;;;;;+2;4*
    +3;+4/p-15/t5-,6+,7+,8+;;
    ;;;;;;;;;;;;;;;;;;;;;;/m0
    ......................../
    s1;
    OAPMYOKMHVXLOA-RERAPKNWSA-A    		 c1cn(cn1)C2C(C(C(O2)CO[V]([O])([O])O[V](
    [O])([O])[O])O[V]([O])([O])O[V]([O])([O]
    )O[V]([O])([O])[O])O[V]([O])([O])[O]; C1
    (C(O[V](O)(O)O)C(O[V](O)(O)O[V](O)(O)O[V
    ](O)(O)O)C(CO[V](O)(O)O[V](O)(O)O)O1)n2c
    cnc2; c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H
    ](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[
    V]([O])([O])O[V]([O])([O])O[V]([O])([O])
    [O])O[V]([O])([O])[O]; O.O.O.O.O.O.O.O.O
    .O.O.O.O.O.O.[V]O[V]OC[CH]1O[CH]([CH](O[
    V])[CH]1O[V]O[V]O[V])n2ccnc2; O.O.O.O.O.
    O.O.O.O.O.O.O.O.O.O.[V]O[V]OC[C@@H]1O[C@
    H]([C@H](O[V])[C@@H]1O[V]O[V]O[V])n2ccnc
    2    		 [(2~{R},3~{R},4~{R},5~{S})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium
    32692
    P4K    		 27 C30 H62 O15 InChI=1S/C30H62O15/c1-2-3
    2-5-6-34-9-10-36-13-14-38
    -17-18-40-21-22-42-25-26-
    44-29-30-45-28-27-43-24-2
    3-41-20-19-39-16-15-37-12
    -11-35-8-7-33-4-3-31/h31H
    ,2-30H2,1H3;
    WWPGFZAAWXFBTF-UHFFFAOYSA-N    		 CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
    COCCO; OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
    OCCOCCOCCOCC    		 polyethylene glycol;
    3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol
    32693
    P4L
    CHEMBL1235107
    ZINC000013467796    		 1 C12 H11 N3 O S InChI=1S/C12H11N3OS/c16-1
    2-8-7-17-6-4-9(8)14-11(15
    -12)10-3-1-2-5-13-10/h1-3
    ,5H,4,6-7H2,(H,14,15,16);
    RBVWEFJWVRUKIS-UHFFFAOYSA-N    		 n1c(O)c3c(nc1c2ncccc2)CCSC3; c1ccnc(c1)c
    2nc3c(c(n2)O)CSCC3; Oc1nc(nc2CCSCc12)c3c
    cccn3    		 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
    32694
    P4M
    CHEMBL5219474    		 1 C13 H15 N O3 InChI=1S/C13H15NO3/c1-14-
    5-4-9-6-11(16-2)12(17-3)7
    -10(9)8-13(14)15/h4-7H,8H
    2,1-3H3;
    SNBSBSFGIKHBLT-UHFFFAOYSA-N    		 CN1C=Cc2cc(c(cc2CC1=O)OC)OC; COc1cc2CC(=
    O)N(C)C=Cc2cc1OC    		 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one;
    7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one
    32695
    P4N
    CHEMBL514554
    ZINC000035636073    		 1 C22 H20 F3 N5 O3 S InChI=1S/C22H20F3N5O3S/c1
    -34(32,33)16-4-2-3-13(9-1
    6)11-26-20-17(22(23,24)25
    )12-27-21(30-20)28-15-6-7
    -18-14(10-15)5-8-19(31)29
    -18/h2-4,6-7,9-10,12H,5,8
    ,11H2,1H3,(H,29,31)(H2,26
    ,27,28,30);
    HESLKTSGTIBHJU-UHFFFAOYSA-N    		 C[S](=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)C
    Cc4c3)ncc2C(F)(F)F)c1; CS(=O)(=O)c1cccc(
    c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(
    F)(F)F    		 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one
    32696
    P4O
    CHEMBL226403
    DB08358
    ZINC000016052855    		 27 C21 H16 N4 O InChI=1S/C21H16N4O/c26-21
    -16-11-20(25-18(16)6-8-23
    -21)14-5-7-22-19(10-14)15
    -9-13-3-1-2-4-17(13)24-12
    -15/h1-5,7,9-12,25H,6,8H2
    ,(H,23,26);
    OWFLADWRSCINST-UHFFFAOYSA-N    		 c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4
    )CCNC5=O; O=C1NCCc2[nH]c(cc12)c3ccnc(c3)
    c4cnc5ccccc5c4; O=C2c1cc(nc1CCN2)c5ccnc(
    c3cc4ccccc4nc3)c5    		 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
    32697
    P4P
    CHEMBL1182234
    ZINC000008234386    		 12 C24 H20 P InChI=1S/C24H20P/c1-5-13-
    21(14-6-1)25(22-15-7-2-8-
    16-22,23-17-9-3-10-18-23)
    24-19-11-4-12-20-24/h1-20
    H/q+1;
    USFPINLPPFWTJW-UHFFFAOYSA-N    		 c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4cccc
    c4; c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4
    ccccc4    		 TETRAPHENYLPHOSPHONIUM
    32698
    P4Q    		 1 C7 H6 N4 InChI=1S/C7H6N4/c8-7-6-5(
    10-4-11-7)2-1-3-9-6/h1-4H
    ,(H2,8,10,11);
    DGXAOSOMFMODCF-UHFFFAOYSA-N    		 Nc1ncnc2cccnc12; c1cc2c(c(ncn2)N)nc1 pyrido[3,2-d]pyrimidin-4-amine
    32699
    P4R    		 5 C20 H14 Cl N3 O3 InChI=1S/C20H14ClN3O3/c21
    -13-5-6-17-15(9-13)20(7-8
    -27-17)18(25)24(19(26)23-
    20)16-11-22-10-12-3-1-2-4
    -14(12)16/h1-6,9-11H,7-8H
    2,(H,23,26)/t20-/m0/s1;
    FSSOHAWMSBZQQQ-FQEVSTJZSA-N    		 c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)
    Cl)NC3=O; Clc1ccc2OCCC3(NC(=O)N(C3=O)c3c
    ncc4ccccc43)c2c1; c1ccc2c(c1)cncc2N3C(=O
    )[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O; Clc1ccc2
    OCC[C@]3(NC(=O)N(C3=O)c4cncc5ccccc45)c2c
    1; Clc1ccc2OCC[C]3(NC(=O)N(C3=O)c4cncc5c
    cccc45)c2c1    		 (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
    32700
    P4S
    ZINC000005350761    		 7 C24 H32 O5 InChI=1S/C24H32O5/c1-21-8
    -5-15(25)12-23(21,27)10-7
    -17-16(21)6-9-22(2)18(11-
    19-24(17,22)29-19)14-3-4-
    20(26)28-13-14/h3-4,13,15
    -19,25,27H,5-12H2,1-2H3/t
    15-,16-,17+,18+,19+,21+,2
    2+,23-,24+/m0/s1;
    JMNQTHQLNRILMH-OBBGIPBRSA-N    		 CC12CCC(CC1(CCC3C2CCC4(C35C(O5)CC4C6=COC
    (=O)C=C6)C)O)O; C[C]12CC[CH](O)C[C]1(O)C
    C[CH]3[CH]2CC[C]4(C)[CH](C[CH]5O[C]345)C
    6=COC(=O)C=C6; C[C@]12CC[C@H](O)C[C@@]1(
    O)CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](C[C@H]
    5O[C@@]345)C6=COC(=O)C=C6; C[C@]12CC[C@@
    H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35
    [C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O; C
    12(C)CCC(CC1(O)CCC6C2CCC4(C(C3=COC(=O)C=
    C3)CC5C46O5)C)O    		 (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide
    32701
    P4T
    CHEMBL1235108
    DB08359
    ZINC000000153609    		 2 C12 H12 N2 O S InChI=1S/C12H12N2OS/c1-8-
    11(9(2)15)16-12(13-8)14-1
    0-6-4-3-5-7-10/h3-7H,1-2H
    3,(H,13,14);
    UIIUOFPGDKBCEZ-UHFFFAOYSA-N    		 CC(=O)c1sc(Nc2ccccc2)nc1C; O=C(c1sc(nc1C
    )Nc2ccccc2)C; Cc1c(sc(n1)Nc2ccccc2)C(=O)
    C    		 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE;
    1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone
    32702
    P4U    		 0 C12 H19 N2 O9 P InChI=1S/C12H19N2O9P/c1-2
    -5-21-8-3-4-14(12(17)13-8
    )11-10(16)9(15)7(23-11)6-
    22-24(18,19)20/h3-4,7,9-1
    1,15-16H,2,5-6H2,1H3,(H2,
    18,19,20)/t7-,9-,10-,11-/
    m1/s1;
    YIPJYDZHQZNRLV-QCNRFFRDSA-N    		 CCCOC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H](
    [C@H](O2)COP(=O)(O)O)O)O; CCCOC1=NC(=O)N
    (C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H]
    (O)[C@H]2O; CCCOC1=NC(=O)N(C=C1)C2C(C(C(
    O2)COP(=O)(O)O)O)O; CCCOC1=NC(=O)N(C=C1)
    [CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O    		 4-propyl, uridine-5'-monophosphate
    32703
    P4V
    CHEMBL2334889
    ZINC000019535046    		 1 C21 H25 N O4 InChI=1S/C21H25NO4/c1-23-
    18-6-5-13-9-17-15-11-20(2
    5-3)19(24-2)10-14(15)7-8-
    22(17)12-16(13)21(18)26-4
    /h5-6,10-11,17H,7-9,12H2,
    1-4H3/t17-/m1/s1;
    AEQDJSLRWYMAQI-QGZVFWFLSA-N    		 COc1cc2CCN3Cc4c(C[CH]3c2cc1OC)ccc(OC)c4O
    C; COc1c2CN3CCc4cc(OC)c(OC)cc4C3Cc2ccc1O
    C; COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)OC
    )OC; COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@H]
    3C2)OC)OC; COc1cc2CCN3Cc4c(C[C@@H]3c2cc1
    OC)ccc(OC)c4OC    		 rotundine
    32704
    P4W
    ZINC000036662092    		 2 C11 H12 N2 O2 S InChI=1S/C11H12N2O2S/c1-1
    3(2)16(14,15)11-5-3-4-9-8
    -12-7-6-10(9)11/h3-8H,1-2
    H3;
    MRHJXMWWAQWJDD-UHFFFAOYSA-N    		 CN(C)S(=O)(=O)c1cccc2c1ccnc2; CN(C)[S](=
    O)(=O)c1cccc2cnccc12    		 ~{N},~{N}-dimethylisoquinoline-5-sulfonamide
    32705
    P4X
    CHEMBL5219602    		 1 C18 H21 N3 O3 InChI=1S/C18H21N3O3/c1-11
    -14-5-4-12(17(23)10-22)6-
    15(14)16(9-20(2)18(11)24)
    13-7-19-21(3)8-13/h4-9,11
    ,17,22-23H,10H2,1-3H3/t11
    -,17+/m1/s1;
    CJVJSGBELMMESS-DIFFPNOSSA-N    		 CC1c2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)C(CO
    )O; C[CH]1C(=O)N(C)C=C(c2cnn(C)c2)c3cc(c
    cc13)[CH](O)CO; C[C@H]1C(=O)N(C)C=C(c2cn
    n(C)c2)c3cc(ccc13)[C@@H](O)CO; C[C@@H]1c
    2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)[C@H](CO
    )O    		 (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one
    32706
    P4Y
    ZINC000066167058    		 1 C20 H15 N3 O4 InChI=1S/C20H15N3O4/c24-1
    8-17(20(26)27)22-15(23-19
    (18)25)10-13-12-8-4-5-9-1
    4(12)21-16(13)11-6-2-1-3-
    7-11/h1-9,21,24H,10H2,(H,
    26,27)(H,22,23,25);
    JONQCFJPPWOWOJ-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4
    )O)O)C(=O)O; OC(=O)c1nc(Cc2c([nH]c3ccccc
    23)c4ccccc4)nc(O)c1O; O=C(O)c1nc(nc(O)c1
    O)Cc3c2ccccc2nc3c4ccccc4    		 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid
    32707
    P4Z
    CHEMBL5290005    		 2 C25 H19 Cl F N5 O InChI=1S/C25H19ClFN5O/c1-
    2-20(25(29)33)31-24-17-10
    -11-30-13-21(17)32-23(18(
    24)12-28)15-8-6-14(7-9-15
    )16-4-3-5-19(26)22(16)27/
    h3-11,13,20H,2H2,1H3,(H2,
    29,33)(H,31,32)/t20-/m1/s
    1;
    LACMSNCHWBQXEK-HXUWFJFHSA-N    		 CCC(C(=O)N)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3
    )c4cccc(c4F)Cl; CC[C@@H](Nc1c2ccncc2nc(c
    3ccc(cc3)c4cccc(Cl)c4F)c1C#N)C(N)=O; CC[
    CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(Cl)c4
    F)c1C#N)C(N)=O; CC[C@H](C(=O)N)Nc1c2ccnc
    c2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)Cl    		 (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
    32708
    P50    		 1 C40 H76 N O9 P InChI=1S/C40H76NO9P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-40(44)50
    -38(36-49-51(45,46)48-34-
    37(41)33-42)35-47-39(43)3
    1-29-27-25-23-21-19-16-14
    -12-10-8-6-4-2/h17-18,33,
    37-38H,3-16,19-32,34-36,4
    1H2,1-2H3,(H,45,46)/b18-1
    7-/t37-,38-/m0/s1;
    YXDSQFSRKMJOST-GSXCXXIQSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O
    )OC[C@@H](N)C=O)OC(=O)CCCCCCC\C=C/CCCCCC
    CC; CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC
    C(C=O)N)OC(=O)CCCCCCCC=CCCCCCCCC; O=C(CC
    CCCCC[C@H]=[C@H]CCCCCCCC)OC(COC(=O)CCCCC
    CCCCCCCCCC)COP(O)(=O)OCC(N)C=O; CCCCCCCC
    CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C
    =O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC; CCCCCCC
    CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N
    )C=O)OC(=O)CCCCCCCC=CCCCCCCCC    		 (19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate
    32709
    P51
    ZINC000098209287    		 2 C25 H31 I N2 O2 InChI=1S/C25H31IN2O2/c1-3
    -28(4-2)22-12-14-27(15-13
    -22)19-21-17-20(18-24(26)
    25(21)29)9-8-16-30-23-10-
    6-5-7-11-23/h5-7,10-11,17
    -18,22,29H,3-4,12-16,19H2
    ,1-2H3;
    QHQZDNCRBPFORJ-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCOc3c
    cccc3; CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C
    #CCOc3ccccc3; Ic2c(O)c(cc(C#CCOc1ccccc1)
    c2)CN3CCC(N(CC)CC)CC3    		 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol
    32710
    P52
    CHEMBL3416733
    ZINC000098209288    		 24 C27 H37 N4 O4 P InChI=1S/C27H37N4O4P/c1-1
    8(2)14-21(17-36(34,35)25(
    28)13-12-19-8-4-3-5-9-19)
    27(33)31-24(26(29)32)15-2
    0-16-30-23-11-7-6-10-22(2
    0)23/h3-11,16,18,21,24-25
    ,30H,12-15,17,28H2,1-2H3,
    (H2,29,32)(H,31,33)(H,34,
    35)/t21-,24+,25-/m1/s1;
    QKFOTLXPIIESQI-IEZKXTBUSA-N    		 CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)
    C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N; O
    =P(O)(C(N)CCc1ccccc1)CC(C(=O)NC(C(=O)N)C
    c3c2ccccc2nc3)CC(C)C; CC(C)CC(CP(=O)(C(C
    Cc1ccccc1)N)O)C(=O)NC(Cc2c[nH]c3c2cccc3)
    C(=O)N; CC(C)C[C@H](C[P](O)(=O)[C@@H](N)
    CCc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3ccccc2
    3)C(N)=O; CC(C)C[CH](C[P](O)(=O)[CH](N)C
    Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C
    (N)=O    		 Nalpha-[(2S)-2-{[[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-L-tryptophanamide
    32711
    P53
    ZINC000004097049    		 1 C13 H19 O10 P InChI=1S/C13H19O10P/c14-5
    -7-3-1-2-4-8(7)22-13-12(1
    7)11(16)10(15)9(23-13)6-2
    1-24(18,19)20/h1-4,9-17H,
    5-6H2,(H2,18,19,20)/t9-,1
    0-,11+,12-,13-/m1/s1;
    FSJKOMDYZYBBLV-UJPOAAIJSA-N    		 c1ccc(c(c1)CO)OC2C(C(C(C(O2)COP(=O)(O)O)
    O)O)O; c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]
    ([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O; OCc1
    ccccc1O[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[
    CH](O)[CH]2O; OCc1ccccc1O[C@@H]2O[C@H](C
    O[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O; O
    =P(O)(O)OCC2OC(Oc1c(cccc1)CO)C(O)C(O)C2O    		 2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucopyranoside;
    Salicin-6-phosphate;
    2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucoside;
    2-(hydroxymethyl)phenyl 6-O-phosphono-D-glucoside;
    2-(hydroxymethyl)phenyl 6-O-phosphono-glucoside
    32712
    P54
    CHEMBL4166329
    ZINC000103552638    		 3 C18 H19 N5 S InChI=1S/C18H19N5S/c1-4-5
    -6-9-23-11-20-16(19)15-17
    (23)22-18(21-15)24-14-8-7
    -12(2)10-13(14)3/h1,7-8,1
    0-11H,5-6,9,19H2,2-3H3;
    IIQUFGUOGYICIJ-UHFFFAOYSA-N    		 Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N
    ; Cc1ccc(Sc2nc3n(CCCC#C)cnc(N)c3n2)c(C)c
    1; N1=C3C(N=C1Sc2ccc(cc2C)C)=C(N=CN3CCCC
    #C)N    		 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine
    32713
    P55
    CHEMBL230137
    DB08360
    ZINC000016052399    		 1 C18 H20 N8 InChI=1S/C18H20N8/c1-2-24
    -8-10-25(11-9-24)17-22-16
    -14(12-19)13-20-26(16)18(
    23-17)21-15-6-4-3-5-7-15/
    h3-7,13H,2,8-11H2,1H3,(H,
    21,22,23);
    BIFHJPUTQBOBGJ-UHFFFAOYSA-N    		 CCN1CCN(CC1)c2nc(Nc3ccccc3)n4ncc(C#N)c4n
    2; N#Cc1cnn2c(nc(nc12)N3CCN(CC)CC3)Nc4cc
    ccc4; CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccc
    cc4)C#N    		 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
    32714
    P57    		 1 C18 H15 N3 InChI=1S/C18H15N3/c1-2-6-
    14(7-3-1)18-16(12-21-11-1
    0-19-13-21)15-8-4-5-9-17(
    15)20-18/h1-11,13,20H,12H
    2;
    RFRCCSUYEPHDFA-UHFFFAOYSA-N    		 c1cccc3c1c(Cn2cncc2)c(n3)c4ccccc4; C(n1c
    cnc1)c2c([nH]c3ccccc23)c4ccccc4; c1ccc(c
    c1)c2c(c3ccccc3[nH]2)Cn4ccnc4    		 3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole
    32715
    P58
    CHEMBL2010499
    ZINC000001606737    		 1 C9 H11 N S2 InChI=1S/C9H11NS2/c1-10(9
    (11)12)7-8-5-3-2-4-6-8/h2
    -6H,7H2,1H3,(H,11,12);
    KVRJHAJGPHILSK-UHFFFAOYSA-N    		 S=C(S)N(C)Cc1ccccc1; CN(Cc1ccccc1)C(=S)S
    ; CN(Cc1ccccc1)C(S)=S    		 benzyl(methyl)carbamodithioic acid
    32716
    P59
    CHEMBL4092437
    ZINC000000104459    		 3 C20 H15 F N2 O InChI=1S/C20H15FN2O/c21-1
    7-12-6-4-10-15(17)19-22-1
    8-13-7-5-11-16(18)20(24)2
    3(19)14-8-2-1-3-9-14/h1-1
    3,19,22H/t19-/m1/s1;
    UMMDFHVNOCVOCD-LJQANCHMSA-N    		 c1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4F; c
    1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4
    F; Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc
    4; Fc1ccccc1[C@@H]2Nc3ccccc3C(=O)N2c4ccc
    cc4    		 (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
    32717
    P5A
    CHEMBL1163086
    DB02510
    ZINC000013542769    		 7 C15 H21 N7 O7 S InChI=1S/C15H21N7O7S/c16-
    12-9-13(19-5-18-12)22(6-2
    0-9)15-11(24)10(23)8(29-1
    5)4-28-30(26,27)21-14(25)
    7-2-1-3-17-7/h5-8,10-11,1
    5,17,23-24H,1-4H2,(H,21,2
    5)(H2,16,18,19)/t7-,8+,10
    +,11+,15+/m0/s1;
    LKVJEMXWEODCAY-JVEUSOJLSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)
    NC(=O)[CH]4CCCN4)[CH](O)[CH]3O; Nc1ncnc2
    n(cnc12)[C@@H]3O[C@H](CO[S](=O)(=O)NC(=O
    )[C@@H]4CCCN4)[C@@H](O)[C@H]3O; O=C(NS(=
    O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C4
    NCCC4; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C
    @@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CC
    CN4)O)O)N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)
    COS(=O)(=O)NC(=O)C4CCCN4)O)O)N    		 '5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE
    32718
    P5B
    DB04758
    ZINC000003989238    		 1 C26 H33 N7 O5 S InChI=1S/C26H33N7O5S/c1-2
    -39(37,38)33-22(13-18-15-
    30-20-6-4-3-5-19(18)20)26
    (36)32-21(11-12-23(27)34)
    25(35)31-14-16-7-9-17(10-
    8-16)24(28)29/h3-10,15,21
    -22,30,33H,2,11-14H2,1H3,
    (H2,27,34)(H3,28,29)(H,31
    ,35)(H,32,36)/t21-,22+/m0
    /s1;
    FJGWLOKDOKYXMU-FCHUYYIVSA-N    		 CC[S](=O)(=O)N[CH](Cc1c[nH]c2ccccc12)C(=
    O)N[CH](CCC(N)=O)C(=O)NCc3ccc(cc3)C(N)=N
    ; CC[S](=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)
    C(=O)N[C@@H](CCC(N)=O)C(=O)NCc3ccc(cc3)C
    (N)=N; O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=
    O)C(NS(=O)(=O)CC)Cc3c2ccccc2nc3)CCC(=O)N
    ; CCS(=O)(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)N
    C(CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N; CCS(
    =O)(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C
    @@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N    		 N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE;
    2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE)
    32719
    P5C
    CHEMBL1235110
    DB08361
    ZINC000003941369    		 1 C18 H24 N6 O InChI=1S/C18H24N6O/c1-11-
    5-4-6-12(9-11)22-17-13(16
    (20)25)10-21-18(24-17)23-
    15-8-3-2-7-14(15)19/h4-6,
    9-10,14-15H,2-3,7-8,19H2,
    1H3,(H2,20,25)(H2,21,22,2
    3,24)/t14-,15+/m0/s1;
    NZNTWOVDIXCHHS-LSDHHAIUSA-N    		 Cc1cccc(c1)Nc2c(cnc(n2)N[C@@H]3CCCC[C@@H
    ]3N)C(=O)N; Cc1cccc(c1)Nc2c(cnc(n2)NC3CC
    CCC3N)C(=O)N; Cc1cccc(Nc2nc(N[CH]3CCCC[C
    H]3N)ncc2C(N)=O)c1; Cc1cccc(Nc2nc(N[C@@H
    ]3CCCC[C@@H]3N)ncc2C(N)=O)c1; O=C(c1cnc(
    nc1Nc2cc(ccc2)C)NC3C(N)CCCC3)N    		 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide
    32720
    P5D
    ZINC000066167059    		 1 C13 H18 N O6 P InChI=1S/C13H18NO6P/c14-1
    1(6-9-4-2-1-3-5-9)21(19,2
    0)8-10(13(17)18)7-12(15)1
    6/h1-5,10-11H,6-8,14H2,(H
    ,15,16)(H,17,18)(H,19,20)
    /t10-,11+/m0/s1;
    HUMGCALEJILOSC-WDEREUQCSA-N    		 N[CH](Cc1ccccc1)[P](O)(=O)C[CH](CC(O)=O)
    C(O)=O; O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1
    ccccc1; c1ccc(cc1)CC(N)P(=O)(CC(CC(=O)O)
    C(=O)O)O; N[C@@H](Cc1ccccc1)[P](O)(=O)C[
    C@H](CC(O)=O)C(O)=O; c1ccc(cc1)C[C@H](N)
    P(=O)(C[C@H](CC(=O)O)C(=O)O)O    		 (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid;
    L-PHE-D-ASP PHOSPHINATE PSEUDODIPEPTIDE
    32721
    P5E    		 2 C9 H15 N2 O14 P3 S InChI=1S/C9H15N2O14P3S/c1
    2-5-1-2-11(9(15)10-5)8-7(
    14)6(13)4(23-8)3-22-28(21
    ,29)25-27(19,20)24-26(16,
    17)18/h1-2,4,6-8,13-14H,3
    H2,(H,19,20)(H,21,29)(H,1
    0,12,15)(H2,16,17,18)/t4-
    ,6-,7-,8-,28+/m1/s1;
    BWPNYQWDXHLOGU-KWWYXVLOSA-N    		 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(OP(=
    O)(O)OP(=O)(O)O)S)O)O; C1=CN(C(=O)NC1=O)
    [C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)
    (OP(=O)(O)OP(=O)(O)O)S)O)O; O[C@H]1[C@@H
    ](O)[C@@H](O[C@@H]1CO[P@@](S)(=O)O[P](O)
    (=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O; O[CH]1
    [CH](O)[CH](O[CH]1CO[P](S)(=O)O[P](O)(=O
    )O[P](O)(O)=O)N2C=CC(=O)NC2=O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
    32722
    P5F    		 10 C32 H40 N10 O17 P2 InChI=1S/C32H40N10O17P2/c
    1-14-6-16-17(7-15(14)2)41
    (29-23(30(50)39-32(51)38-
    29)40(16)5-3-4-34-8-21(45
    )46)9-18(43)24(47)19(44)1
    0-56-60(52,53)59-61(54,55
    )57-11-20-25(48)26(49)31(
    58-20)42-13-37-22-27(33)3
    5-12-36-28(22)42/h3-7,12-
    13,18-20,24-26,31,43-44,4
    7-49H,8-11H2,1-2H3,(H,45,
    46)(H,52,53)(H,54,55)(H2,
    33,35,36)(H2,38,39,50,51)
    /b5-3+,34-4?/t18-,19+,20+
    ,24-,25+,26+,31+/m0/s1;
    IRSTVKNHNHEQIM-RDJFLKOLSA-N    		 CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=
    C1C)C=CC=NCC(=O)O)CC(C(C(COP(=O)(O)OP(=O
    )(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)
    O; CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C
    2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@
    H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@
    H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O; C
    c1cc2c(cc1C)n(C=CC=NCC(O)=O)c3C(=O)NC(=O
    )Nc3n2C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)
    O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5
    cnc6c(N)ncnc56; Cc1cc2c(cc1C)n(\C=C\C=NC
    C(O)=O)c3C(=O)NC(=O)Nc3n2C[C@H](O)[C@H](
    O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]
    4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc5
    6    		 N-propargylglycine-modified flavin adenine dinucleotide
    32723
    P5G
    CHEMBL367448
    ZINC000005999108    		 1 C20 H24 O5 InChI=1S/C20H24O5/c1-23-1
    9-9-13(3-5-17(19)21)7-15-
    11-25-12-16(15)8-14-4-6-1
    8(22)20(10-14)24-2/h3-6,9
    -10,15-16,21-22H,7-8,11-1
    2H2,1-2H3/t15-,16-/m0/s1;
    ROGUIJKVZZROIQ-HOTGVXAUSA-N    		 COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c
    3)OC)O; c1(ccc(O)c(c1)OC)CC2COCC2Cc3cc(c
    (cc3)O)OC; COc1cc(C[CH]2COC[CH]2Cc3ccc(O
    )c(OC)c3)ccc1O; COc1cc(ccc1O)CC2COCC2Cc3
    ccc(c(c3)OC)O; COc1cc(C[C@H]2COC[C@@H]2C
    c3ccc(O)c(OC)c3)ccc1O    		 4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
    32724
    P5H    		 2 C10 H15 N3 O4 S InChI=1S/C10H15N3O4S/c1-7
    -3-4-8(10(15)13-7)9(14)11
    -5-6-12-18(2,16)17/h3-4,8
    ,12H,5-6H2,1-2H3,(H,11,14
    )/t8-/m0/s1;
    GMIZUAADSVWSGE-QMMMGPOBSA-N    		 CC1=NC(=O)[CH](C=C1)C(=O)NCCN[S](C)(=O)=
    O; CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C;
    CC1=NC(=O)[C@@H](C=C1)C(=O)NCCN[S](C)(=
    O)=O    		 6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide
    32725
    P5I    		 1 C17 H12 Cl N3 O5 InChI=1S/C17H12ClN3O5/c18
    -11-3-1-2-9(4-11)12-6-14(
    26-21-12)10-5-13(22)16(19
    -7-10)17(25)20-8-15(23)24
    /h1-7,22H,8H2,(H,20,25)(H
    ,23,24);
    LXJZOEXMNSUCFH-UHFFFAOYSA-N    		 OC(=O)CNC(=O)c1ncc(cc1O)c2onc(c2)c3cccc(
    Cl)c3; c1cc(cc(c1)Cl)c2cc(on2)c3cc(c(nc3
    )C(=O)NCC(=O)O)O    		 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid;
    (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine
    32726
    P5J
    CHEMBL4452905    		 2 C27 H22 N6 O InChI=1S/C27H22N6O/c1-17-
    28-14-20(15-29-17)23-10-1
    1-33-25(31-23)21(16-30-33
    )19-8-9-24-22(12-19)27(2,
    26(34)32-24)13-18-6-4-3-5
    -7-18/h3-12,14-16H,13H2,1
    -2H3,(H,32,34)/t27-/m0/s1;
    KQGDDLRQLMABOG-MHZLTWQESA-N    		 Cc1ncc(cn1)c2ccn3ncc(c4ccc5NC(=O)[C@@](C
    )(Cc6ccccc6)c5c4)c3n2; Cc1ncc(cn1)c2ccn3
    c(n2)c(cn3)c4ccc5c(c4)C(C(=O)N5)(C)Cc6cc
    ccc6; Cc1ncc(cn1)c2ccn3ncc(c4ccc5NC(=O)[
    C](C)(Cc6ccccc6)c5c4)c3n2; c1(nc2c(cnn2c
    c1)c3ccc4NC(C(C)(c4c3)Cc5ccccc5)=O)c6cnc
    (nc6)C; Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4cc
    c5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6    		 (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one
    32727
    P5K
    CHEMBL1929195
    ZINC000035974657    		 1 C24 H27 N3 O4 S2 InChI=1S/C24H27N3O4S2/c1-
    24(2,3)20-15-18(22(28)27-
    11-13-33(30,31)14-12-27)2
    1(32-20)26-23(29)25-19-10
    -6-8-16-7-4-5-9-17(16)19/
    h4-10,15H,11-14H2,1-3H3,(
    H2,25,26,29);
    MGCVZCZJPOZRQX-UHFFFAOYSA-N    		 CC(C)(C)c1sc(NC(=O)Nc2cccc3ccccc23)c(c1)
    C(=O)N4CC[S](=O)(=O)CC4; CC(C)(C)c1cc(c(
    s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)(
    =O)CC4; O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)C
    C1)C(C)(C)C)Nc4c3ccccc3ccc4    		 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
    32728
    P5L    		 2 C37 H60 N4 O14 InChI=1S/C37H60N4O14/c1-2
    -3-4-5-6-7-8-9-10-11-12-1
    3-14-15-25(44)53-31-21-19
    -40(20-22(31)42)26(35(49)
    50)32(55-36-30(48)27(45)2
    3(52-36)18-38-21)33-28(46
    )29(47)34(54-33)41-17-16-
    24(43)39-37(41)51/h16-17,
    21-23,26-34,36,38,42,45-4
    8H,2-15,18-20H2,1H3,(H,49
    ,50)(H,39,43,51)/t21-,22-
    ,23+,26-,27+,28-,29+,30+,
    31+,32-,33-,34+,36-/m0/s1;
    COFIPAYOUOZUCF-CYMFUPBNSA-N    		 CCCCCCCCCCCCCCCC(=O)OC1C2CN(CC1O)C(C(OC3
    C(C(C(O3)CN2)O)O)C4C(C(C(O4)N5C=CC(=O)NC
    5=O)O)O)C(=O)O; CCCCCCCCCCCCCCCC(=O)O[C@
    H]1[C@@H](O)C[N@@]2C[C@@H]1NC[C@H]3O[C@@
    H](O[C@H]([C@H]4O[C@H]([C@H](O)[C@@H]4O)
    N5C=CC(=O)NC5=O)[C@H]2C(O)=O)[C@H](O)[C@
    @H]3O; CCCCCCCCCCCCCCCC(=O)O[CH]1[CH](O)
    C[N]2C[CH]1NC[CH]3O[CH](O[CH]([CH]4O[CH]
    ([CH](O)[CH]4O)N5C=CC(=O)NC5=O)[CH]2C(O)
    =O)[CH](O)[CH]3O; CCCCCCCCCCCCCCCC(=O)O[
    C@@H]1[C@@H]2C[N@@](C[C@@H]1O)[C@@H]([C@
    H](O[C@H]3[C@@H]([C@@H]([C@H](O3)CN2)O)O
    )[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)
    NC5=O)O)O)C(=O)O; O=C1C=CN(C(=O)N1)C1OC(
    C2OC3OC(CNC4CN(CC(O)C4OC(=O)CCCCCCCCCCCC
    CCC)C2C(=O)O)C(O)C3O)C(O)C1O    		 (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid;
    sphaerimicin analogue
    32729
    P5M
    CHEMBL1275624
    ZINC000003954302    		 1 C16 H13 O7 InChI=1S/C16H12O7/c1-22-1
    4-3-7(2-11(19)15(14)21)16
    -12(20)6-9-10(18)4-8(17)5
    -13(9)23-16/h2-6H,1H3,(H4
    -,17,18,19,20,21)/p+1;
    AFOLOMGWVXKIQL-UHFFFAOYSA-O    		 COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O
    )O; COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3
    cc2O; Oc1cc(cc(OC)c1O)c3[o+]c2cc(O)cc(O)
    c2cc3O    		 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium;
    Petunidin
    32730
    P5N
    CHEMBL5082890
    ZINC000000158890    		 2 C10 H8 N2 O InChI=1S/C10H8N2O/c13-7-9
    -1-3-10(4-2-9)12-6-5-11-8
    -12/h1-8H;
    DCICUQFMCRPKHZ-UHFFFAOYSA-N    		 c1cc(ccc1C=O)n2ccnc2; O=Cc1ccc(cc1)n2ccn
    c2    		 1-(4-methylphenyl)imidazole
    32731
    P5O
    CHEMBL110370
    ZINC000013541228    		 3 C15 H14 O4 InChI=1S/C15H14O4/c1-19-1
    5-8-10(4-5-14(15)18)2-3-1
    1-6-12(16)9-13(17)7-11/h2
    -9,16-18H,1H3/b3-2+;
    ANNNBEZJTNCXHY-NSCUHMNNSA-N    		 COc1cc(ccc1O)/C=C/c2cc(cc(c2)O)O; COc1cc
    (ccc1O)C=Cc2cc(cc(c2)O)O; COc1cc(ccc1O)/
    C=C/c2cc(O)cc(O)c2; COc1cc(ccc1O)C=Cc2cc
    (O)cc(O)c2    		 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol
    32732
    P5P
    CHEMBL96862
    DB03726
    ZINC000015614364    		 1 C10 H13 N4 O7 P InChI=1S/C10H13N4O7P/c15-
    7-6(2-20-22(17,18)19)21-1
    0(8(7)16)14-4-13-5-1-11-3
    -12-9(5)14/h1,3-4,6-8,10,
    15-16H,2H2,(H2,17,18,19)/
    t6-,7-,8-,10-/m1/s1;
    MCWDCZIDTUQRHK-FDDDBJFASA-N    		 c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@
    H](O3)COP(=O)(O)O)O)O; O[CH]1[CH](O)[CH]
    (O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23; c1c2
    c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O;
    O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)
    (O)=O)n2cnc3cncnc23; O=P(O)(O)OCC3OC(n2c
    nc1cncnc12)C(O)C3O    		 PURINE RIBOSIDE-5'-MONOPHOSPHATE
    32733
    P5Q    		 1 C9 H9 N3 InChI=1S/C9H9N3/c1-8-2-4-
    9(5-3-8)12-7-10-6-11-12/h
    2-7H,1H3;
    NXIAVERGTMRISY-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2cncn2 1-(4-methylphenyl)-1,2,4-triazole
    32734
    P5R    		 0 C34 H70 O18 InChI=1S/C34H70O18/c35-1-
    3-37-5-7-39-9-11-41-13-15
    -43-17-19-45-21-23-47-25-
    27-49-29-31-51-33-34-52-3
    2-30-50-28-26-48-24-22-46
    -20-18-44-16-14-42-12-10-
    40-8-6-38-4-2-36/h35-36H,
    1-34H2;
    NIELXDCPHZJHGM-UHFFFAOYSA-N    		 C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
    CCOCCOCCOCCO)O; OCCOCCOCCOCCOCCOCCOCCOCC
    OCCOCCOCCOCCOCCOCCOCCOCCOCCO    		 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
    32735
    P5S
    CHEMBL4297669
    DB00144
    ZINC000085588270    		 201 C42 H82 N O10 P InChI=1S/C42H82NO10P/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-31-33-40(44)5
    0-35-38(36-51-54(48,49)52
    -37-39(43)42(46)47)53-41(
    45)34-32-30-28-26-24-22-2
    0-18-16-14-12-10-8-6-4-2/
    h38-39H,3-37,43H2,1-2H3,(
    H,46,47)(H,48,49)/t38-,39
    +/m1/s1;
    TZCPCKNHXULUIY-RGULYWFUSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
    ; CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)
    (=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCC
    CCCC; O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(
    =O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC;
    CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(
    C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC; CCCCCC
    CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@
    H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC    		 O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine;
    phosphatidyl serine
    32736
    P5T    		 1 C5 H8 B9 N O2 S InChI=1S/C5H8B9NO2S/c15-1
    8(16,17)3-1-2-5-6-4-7-8(5
    )12(5)11(5,6)9(4,6)10(4,7
    )13(7,8,12)14(9,10,11)12/
    h1-3H2,(H2,15,16,17);
    JYHLIKURGVWBQK-UHFFFAOYSA-N    		 N[S](=O)(=O)CCC[C+]123[B]45[B-]67[C]89[B
    ]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[
    B]3%10%11[B]%12%13%14%15; N[S](=O)(=O)CC
    C[C+]123[B]45[B-]67[C@@]89[B]1%10[B]8%11
    %12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]
    %12%13%14%15; B123B45B167B289B612B744B11
    6B282[C@@]93B21C465CCCS(=O)(=O)N; B123B4
    5B167B289B612B744B116B282C93B21C465CCCS(
    =O)(=O)N    		 Meta-Nidocarborane propyl-sulfonamide
    32737
    P5U    		 0 C10 H10 N2 O5 S InChI=1S/C10H10N2O5S/c11-
    5-7-1-3-8(4-2-7)18(15,16)
    17-6-9(12)10(13)14/h1-4,9
    H,6,12H2,(H,13,14)/t9-/m0
    /s1;
    BGAKRHOBIFFXJD-VIFPVBQESA-N    		 N[C@@H](CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)=
    O; c1cc(ccc1C#N)S(=O)(=O)OCC(C(=O)O)N; N
    C(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O; N[CH]
    (CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)=O; c1cc
    (ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N    		 O-[(4-cyanophenyl)sulfonyl]-L-serine
    32738
    P5V
    CHEMBL4524356    		 1 C23 H20 N4 O2 InChI=1S/C23H20N4O2/c28-2
    1(14-2-3-14)27-11-1-8-23(
    27)17-12-15(4-6-18(17)26-
    22(23)29)16-5-7-19-20(13-
    16)25-10-9-24-19/h4-7,9-1
    0,12-14H,1-3,8,11H2,(H,26
    ,29)/t23-/m0/s1;
    PXPGVPPGCPSCSN-QHCPKHFHSA-N    		 O=C1Nc2ccc(cc2[C@@]13CCCN3C(=O)C4CC4)c5c
    cc6nccnc6c5; c1cc2c(cc1c3ccc4c(c3)C5(CCC
    N5C(=O)C6CC6)C(=O)N4)nccn2; C2(=O)Nc1ccc
    (cc1C24CCCN4C(=O)C3CC3)c5cc6c(cc5)nccn6;
    c1cc2c(cc1c3ccc4c(c3)[C@@]5(CCCN5C(=O)C
    6CC6)C(=O)N4)nccn2; O=C1Nc2ccc(cc2[C]13C
    CCN3C(=O)C4CC4)c5ccc6nccnc6c5    		 (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
    32739
    P5W
    CHEMBL1621959
    ZINC000000446531    		 1 C16 H12 N2 O2 S InChI=1S/C16H12N2O2S/c19-
    15(20)12-6-8-13(9-7-12)17
    -16-18-14(10-21-16)11-4-2
    -1-3-5-11/h1-10H,(H,17,18
    )(H,19,20);
    UGLHSEDBIJMFOC-UHFFFAOYSA-N    		 OC(=O)c1ccc(Nc2scc(n2)c3ccccc3)cc1; c1cc
    c(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O    		 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
    32740
    P5X    		 4 C24 H22 Cl N3 O S InChI=1S/C24H22ClN3OS/c1-
    27(2)20-7-9-21(10-8-20)28
    (15-22-12-19(25)16-30-22)
    24(29)11-18-14-26-13-17-5
    -3-4-6-23(17)18/h3-10,12-
    14,16H,11,15H2,1-2H3;
    VADPVOZBGIXSAG-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cn
    cc4c3cccc4; CN(C)c1ccc(cc1)N(Cc2scc(Cl)c
    2)C(=O)Cc3cncc4ccccc34; Clc1cc(CN(C(=O)C
    c2cncc3ccccc32)c2ccc(cc2)N(C)C)sc1    		 N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide
    32741
    P5Y
    CHEMBL4800426    		 2 C25 H21 F3 N6 O3 InChI=1S/C25H21F3N6O3/c26
    -25(27,28)21-9-5-4-8-20(2
    1)24(36)33(14-18-10-12-19
    (13-11-18)23(35)30-37)16-
    22-29-31-32-34(22)15-17-6
    -2-1-3-7-17/h1-13,37H,14-
    16H2,(H,30,35);
    MEWDNULKAXEKII-UHFFFAOYSA-N    		 c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)N
    O)C(=O)c4ccccc4C(F)(F)F; ONC(=O)c1ccc(CN
    (Cc2nnnn2Cc3ccccc3)C(=O)c4ccccc4C(F)(F)F
    )cc1; c1(nnnn1Cc2ccccc2)CN(C(=O)c3c(cccc
    3)C(F)(F)F)Cc4ccc(C(=O)NO)cc4    		 N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide
    32742
    P5Z    		 1 C17 H11 Cl2 N O3 InChI=1S/C17H11Cl2NO3/c1-
    9-15(17(21)22)16(23-14-5-
    3-2-4-12(14)19)11-8-10(18
    )6-7-13(11)20-9/h2-8H,1H3
    ,(H,21,22);
    ABPWAZGWFVYLDD-UHFFFAOYSA-N    		 Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O;
    Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O;
    Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O    		 6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid
    32743
    P60
    ZINC000016159701    		 1 C10 H6 F N O3 InChI=1S/C10H6FNO3/c11-7-
    4-2-1-3-6(7)9-8(10(13)14)
    12-5-15-9/h1-5H,(H,13,14);
    COYYCXFHTJQGGF-UHFFFAOYSA-N    		 c1ccc(c(c1)c2c(nco2)C(=O)O)F; OC(=O)c1nc
    oc1c2ccccc2F; c1cc(c(cc1)F)c2c(C(O)=O)nc
    o2    		 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid
    32744
    P61
    ZINC000098209289    		 8 C17 H18 F N2 O8 P InChI=1S/C17H18FN2O8P/c1-
    9-16(22)12(11(6-19-9)8-28
    -29(25,26)27)7-20-14(17(2
    3)24)5-10-2-3-15(21)13(18
    )4-10/h2-4,6-7,19,21-22H,
    5,8H2,1H3,(H,23,24)(H2,25
    ,26,27)/b12-7-,20-14+;
    AWZHPOMIAYWMIB-ALAGMBGBSA-N    		 CC1=C(/C(=C\N=C(/Cc2ccc(c(c2)F)O)\C(=O)O
    )/C(=CN1)COP(=O)(O)O)O; Fc1c(O)ccc(c1)CC
    (=N/C=C2\C(O)=C(NC=C2COP(=O)(O)O)C)\C(=O
    )O; CC1=C(C(=CN=C(Cc2ccc(c(c2)F)O)C(=O)O
    )C(=CN1)COP(=O)(O)O)O; CC1=C(O)\C(=C/N=C
    (Cc2ccc(O)c(F)c2)C(O)=O)C(=CN1)CO[P](O)(
    O)=O; CC1=C(O)C(=CN=C(Cc2ccc(O)c(F)c2)C(
    O)=O)C(=CN1)CO[P](O)(O)=O    		 (2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid
    32745
    P62    		 1 C16 H21 Cl N4 O S InChI=1S/C16H21ClN4OS/c1-
    21(2)8-7-18-10-14-13(15(2
    2)20-16(23)19-14)9-11-3-5
    -12(17)6-4-11/h3-6,18H,7-
    10H2,1-2H3,(H2,19,20,22,2
    3);
    BODROOXVZKSZLI-UHFFFAOYSA-N    		 CN(C)CCNCC1=C(Cc2ccc(Cl)cc2)C(=NC(=S)N1)
    O; CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc
    2)Cl    		 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione
    32746
    P63
    CHEMBL230354
    DB08362
    ZINC000016052402    		 1 C20 H16 N8 O InChI=1S/C20H16N8O/c1-13(
    29)23-16-8-5-9-17(10-16)2
    4-19-26-18-14(11-21)12-22
    -28(18)20(27-19)25-15-6-3
    -2-4-7-15/h2-10,12H,1H3,(
    H,23,29)(H2,24,25,26,27);
    QVKXQLGRDOMAGC-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n4ncc(C#N)
    c4n2)c1; O=C(Nc1cc(ccc1)Nc3nc2c(C#N)cnn2
    c(n3)Nc4ccccc4)C; CC(=O)Nc1cccc(c1)Nc2nc
    3c(cnn3c(n2)Nc4ccccc4)C#N    		 N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
    32747
    P64
    CHEMBL4100356    		 6 C20 H24 N4 InChI=1S/C20H24N4/c1-24(2
    )18-8-4-15(5-9-18)11-12-2
    2-14-16-3-6-17-7-10-20(21
    )23-19(17)13-16/h3-10,13,
    22H,11-12,14H2,1-2H3,(H2,
    21,23);
    SYHMYZCWRIEYOI-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N; CN
    (c1ccc(cc1)CCNCc2cc3c(cc2)ccc(N)n3)C; CN
    (C)c1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1    		 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine
    32748
    P65
    CHEMBL3819601
    ZINC000095921379    		 3 C14 H15 Cl3 N4 O2 InChI=1S/C14H15Cl3N4O2/c1
    -7-12(13(18)21-14(19)20-7
    )23-4-2-3-22-11-6-9(16)8(
    15)5-10(11)17/h5-6H,2-4H2
    ,1H3,(H4,18,19,20,21);
    KNUBCZHIBGZRJT-UHFFFAOYSA-N    		 Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl
    ; Cc1nc(N)nc(N)c1OCCCOc2cc(Cl)c(Cl)cc2Cl    		 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine
    32749
    P66
    CHEMBL1082158    		 1 C21 H15 Cl F2 N6 O InChI=1S/C21H15ClF2N6O/c2
    2-14-7-4-11(21(31)27-12-5
    -6-12)8-17(14)28-20-13-9-
    26-30(18(13)10-25-29-20)1
    9-15(23)2-1-3-16(19)24/h1
    -4,7-10,12H,5-6H2,(H,27,3
    1)(H,28,29);
    ZWVCUFJZBBAOFI-UHFFFAOYSA-N    		 Fc1cccc(F)c1n2ncc3c(Nc4cc(ccc4Cl)C(=O)NC
    5CC5)nncc23; O=C(NC1CC1)c2cc(c(Cl)cc2)Nc
    3nncc4c3cnn4c5c(F)cccc5F; c1cc(c(c(c1)F)
    n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)
    F    		 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide
    32750
    P68
    CHEMBL3329562
    ZINC000095920528    		 15 C18 H20 Br N3 O2 InChI=1S/C18H20BrN3O2/c1-
    12(22-24)13-5-4-6-14(11-1
    3)18(2,3)21-17(23)20-16-9
    -7-15(19)8-10-16/h4-11,24
    H,1-3H3,(H2,20,21,23)/b22
    -12+;
    DSTKQECXQMKQLN-WSDLNYQXSA-N    		 Brc2ccc(NC(=O)NC(c1cccc(\C(=N\O)C)c1)(C)
    C)cc2; C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)
    Nc2ccc(cc2)Br; CC(=N\O)/c1cccc(c1)C(C)(C
    )NC(=O)Nc2ccc(Br)cc2; CC(=NO)c1cccc(c1)C
    (C)(C)NC(=O)Nc2ccc(cc2)Br; CC(=NO)c1cccc
    (c1)C(C)(C)NC(=O)Nc2ccc(Br)cc2    		 1-(4-bromophenyl)-3-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea
    32751
    P69
    CHEMBL4063020
    ZINC000000104456    		 1 C20 H15 F N2 O InChI=1S/C20H15FN2O/c21-1
    7-12-6-4-10-15(17)19-22-1
    8-13-7-5-11-16(18)20(24)2
    3(19)14-8-2-1-3-9-14/h1-1
    3,19,22H/t19-/m0/s1;
    UMMDFHVNOCVOCD-IBGZPJMESA-N    		 c1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4F; F
    c1ccccc1[C@H]2Nc3ccccc3C(=O)N2c4ccccc4;
    c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4
    F; Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc
    4    		 (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
    32752
    P6A
    CHEMBL363228
    ZINC000013583263    		 2 C14 H10 Cl N O2 InChI=1S/C14H10ClNO2/c1-9
    -13(10-5-3-2-4-6-10)14(16
    -18-9)11-7-8-12(15)17-11/
    h2-8H,1H3;
    IPAVFMUBTIUYBW-UHFFFAOYSA-N    		 Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3; Cc1onc(
    c2oc(Cl)cc2)c1c3ccccc3; Cc2c(c(c1oc(cc1)
    Cl)no2)c3ccccc3    		 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole
    32753
    P6B
    ZINC000061708856    		 1 C13 H15 N3 O2 InChI=1S/C13H15N3O2/c17-1
    1-6-7-16(8-11)9-12-14-13(
    15-18-12)10-4-2-1-3-5-10/
    h1-5,11,17H,6-9H2/t11-/m0
    /s1;
    FQHRNVUXCKTULP-NSHDSACASA-N    		 c1ccc(cc1)c2nc(on2)CN3CCC(C3)O; O[CH]1CC
    N(C1)Cc2onc(n2)c3ccccc3; O[C@H]1CCN(C1)C
    c2onc(n2)c3ccccc3; C3CN(Cc1onc(n1)c2cccc
    c2)CC3O; c1ccc(cc1)c2nc(on2)CN3CC[C@@H](
    C3)O    		 (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
    32754
    P6C
    ZINC000005963371    		 2 C10 H11 N5 O2 InChI=1S/C10H11N5O2/c1-4(
    2)6-7-8(15-10(11)14-6)12-
    3-5(13-7)9(16)17/h3-4H,1-
    2H3,(H,16,17)(H2,11,12,14
    ,15);
    GPHPGFBRJYCUDO-UHFFFAOYSA-N    		 O=C(O)c1nc2c(nc1)nc(nc2C(C)C)N; CC(C)c1n
    c(N)nc2ncc(nc12)C(O)=O; CC(C)c1c2c(ncc(n
    2)C(=O)O)nc(n1)N    		 2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARBOXYLIC ACID
    32755
    P6D    		 3 C9 H13 N6 O4 InChI=1S/C9H13N6O4/c10-5-
    1-2-15(9(18)12-5)8-6(13-1
    4-11)7(17)4(3-16)19-8/h1-
    2,4,6-8,11,16-17H,3H2,(H2
    ,10,12,18)/t4-,6-,7-,8-/m
    1/s1;
    SXKUZFQHWHCRFO-XVFCMESISA-N    		 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=
    [NH-]; NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[C
    H](O)[CH]2N=[N+]=[NH-]; C1=CN(C(=O)N=C1N
    )[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+
    ]=[NH-]; NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](
    CO)[C@@H](O)[C@H]2N=[N+]=[NH-]    		 2'-azidocytidine
    32756
    P6E
    CHEMBL4521594    		 6 C20 H17 Cl N2 O4 S InChI=1S/C20H17ClN2O4S/c2
    1-15-7-4-8-17(12-15)27-18
    -10-9-16(13-19(18)28(22,2
    5)26)23-20(24)11-14-5-2-1
    -3-6-14/h1-10,12-13H,11H2
    ,(H,23,24)(H2,22,25,26);
    CSJYMAFXYMYNCK-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc3
    cccc(Cl)c3; c1ccc(cc1)CC(=O)Nc2ccc(c(c2)
    S(=O)(=O)N)Oc3cccc(c3)Cl    		 N-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-ethanamide
    32757
    P6F
    CHEMBL1235112
    DB13863
    ZINC000004523259    		 11 C6 H14 O12 P2 InChI=1S/C6H14O12P2/c7-3(
    1-17-19(11,12)13)5(9)6(10
    )4(8)2-18-20(14,15)16/h3,
    5-7,9-10H,1-2H2,(H2,11,12
    ,13)(H2,14,15,16)/t3-,5-,
    6-/m1/s1;
    XPYBSIWDXQFNMH-UYFOZJQFSA-N    		 C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)
    O; C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O
    )O)O)O)OP(=O)(O)O; O=P(O)(O)OCC(=O)C(O)C
    (O)C(O)COP(=O)(O)O; O[CH](CO[P](O)(O)=O)
    [CH](O)[CH](O)C(=O)CO[P](O)(O)=O; O[C@H]
    (CO[P](O)(O)=O)[C@@H](O)[C@H](O)C(=O)CO[
    P](O)(O)=O    		 1,6-di-O-phosphono-D-fructose
    32758
    P6G
    CHEMBL1235082
    ZINC000004521548    		 1 C12 H26 O7 InChI=1S/C12H26O7/c13-1-3
    -15-5-7-17-9-11-19-12-10-
    18-8-6-16-4-2-14/h13-14H,
    1-12H2;
    IIRDTKBZINWQAW-UHFFFAOYSA-N    		 O(CCO)CCOCCOCCOCCOCCO; OCCOCCOCCOCCOCCOC
    CO; C(COCCOCCOCCOCCOCCO)O    		 HEXAETHYLENE GLYCOL;
    POLYETHYLENE GLYCOL PEG400
    32759
    P6H
    ZINC000090728171    		 1 C8 H10 O3 S InChI=1S/C8H10O3S/c1-12(1
    0,11)8-5-3-2-4-7(8)6-9/h2
    -5,9H,6H2,1H3;
    RKXFAGRISWUJGO-UHFFFAOYSA-N    		 CS(=O)(=O)c1ccccc1CO; C[S](=O)(=O)c1cccc
    c1CO    		 (2-methylsulfonylphenyl)methanol
    32760
    P6I    		 4 C23 H19 Cl N2 O S2 InChI=1S/C23H19ClN2OS2/c1
    -28-20-8-6-19(7-9-20)26(1
    4-21-11-18(24)15-29-21)23
    (27)10-17-13-25-12-16-4-2
    -3-5-22(16)17/h2-9,11-13,
    15H,10,14H2,1H3;
    CEQRNFLEHMXIOS-UHFFFAOYSA-N    		 CSc1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4
    ccccc34; CSc1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O
    )Cc3cncc4c3cccc4; Clc1cc(CN(C(=O)Cc2cncc
    3ccccc32)c2ccc(SC)cc2)sc1    		 N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
    32761
    P6J
    CHEMBL4560579    		 1 C22 H21 F2 N5 O3 S InChI=1S/C22H21F2N5O3S/c1
    -4-5-32-17-10-26-15(9-27-
    17)19(30)28-12-6-13(18(24
    )14(23)7-12)21(2)16-8-22(
    16,11-31-3)33-20(25)29-21
    /h1,6-7,9-10,16H,5,8,11H2
    ,2-3H3,(H2,25,29)(H,28,30
    )/t16-,21+,22+/m0/s1;
    IPUJINDWAGRAHN-KNXBSLHKSA-N    		 COC[C]12C[CH]1[C](C)(N=C(N)S2)c3cc(NC(=O
    )c4cnc(OCC#C)cn4)cc(F)c3F; CC1(C2CC2(SC(
    =N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)
    OCC#C; COCC12C(C1)C(N=C(S2)N)(C)c3c(F)c(
    F)cc(c3)NC(=O)c4cnc(cn4)OCC#C; C[C@]1([C
    @@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)
    NC(=O)c4cnc(cn4)OCC#C; COC[C@]12C[C@H]1[
    C@](C)(N=C(N)S2)c3cc(NC(=O)c4cnc(OCC#C)c
    n4)cc(F)c3F    		 N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
    32762
    P6L
    ZINC000098209291    		 21 C40 H75 O10 P InChI=1S/C40H75O10P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    1-23-25-27-29-31-39(43)47
    -35-38(36-49-51(45,46)48-
    34-37(42)33-41)50-40(44)3
    2-30-28-26-24-22-19-16-14
    -12-10-8-6-4-2/h18,20,22,
    24,37-38,41-42H,3-17,19,2
    1,23,25-36H2,1-2H3,(H,45,
    46)/b20-18+,24-22-/t37-,3
    8+/m1/s1;
    WLVNRDXLPAAELE-GDRYEXQRSA-N    		 CCCCCCCCCC=CCCCCCCC(=O)OCC(COP(=O)(O)OCC
    (CO)O)OC(=O)CCCCC=CCCCCCCCCC; CCCCCCCCC/
    C=C/CCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OC
    [C@H](O)CO)OC(=O)CCCC\C=C/CCCCCCCCC; O=C
    (OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCC/C=C
    /CCCCCCCCC)CCCC\C=C/CCCCCCCCC; CCCCCCCCC
    C=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C
    @@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC; CCCCCC
    CCCC=CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[C
    H](O)CO)OC(=O)CCCCC=CCCCCCCCCC    		 (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE
    32763
    P6M
    CHEMBL4088234
    ZINC000584905686    		 4 C17 H20 F5 N3 S InChI=1S/C17H20F5N3S/c1-9
    -7-15(2,25-14(23)26-9)11-
    5-10(12(18)6-13(11)19)8-2
    4-16(3-4-16)17(20,21)22/h
    5-6,9,24H,3-4,7-8H2,1-2H3
    ,(H2,23,25)/t9-,15+/m1/s1;
    ZQULGQNNJUBPOZ-PSLIRLAXSA-N    		 Fc2cc(F)c(CNC1(C(F)(F)F)CC1)cc2C3(C)N=C(
    SC(C3)C)N; CC1CC(N=C(S1)N)(C)c2cc(c(cc2F
    )F)CNC3(CC3)C(F)(F)F; C[C@@H]1C[C@](C)(N
    =C(N)S1)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F;
    C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)
    F)CNC3(CC3)C(F)(F)F; C[CH]1C[C](C)(N=C(N
    )S1)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F    		 (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
    32764
    P6N
    ZINC000003861252    		 1 C11 H12 O InChI=1S/C11H12O/c1-8-6-7
    -9-4-2-3-5-10(9)11(8)12/h
    2-5,8H,6-7H2,1H3/t8-/m0/s
    1;
    GANIBVZSZGNMNB-QMMMGPOBSA-N    		 C[CH]1CCc2ccccc2C1=O; CC1CCc2ccccc2C1=O;
    C[C@H]1CCc2ccccc2C1=O    		 (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one
    32765
    P6O    		 1 C19 H14 Cl N3 O3 InChI=1S/C19H14ClN3O3/c20
    -12-5-6-15-14(7-12)19(26,
    8-17(24)22-15)18(25)23-16
    -10-21-9-11-3-1-2-4-13(11
    )16/h1-7,9-10,26H,8H2,(H,
    22,24)(H,23,25)/t19-/m0/s
    1;
    WTGNNXIIBVYQGH-IBGZPJMESA-N    		 O[C]1(CC(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4
    ccccc34; O[C@]1(CC(=O)Nc2ccc(Cl)cc12)C(=
    O)Nc3cncc4ccccc34; Clc1ccc2NC(=O)CC(O)(c
    2c1)C(=O)Nc1cncc2ccccc21; c1ccc2c(c1)cnc
    c2NC(=O)[C@@]3(CC(=O)Nc4c3cc(cc4)Cl)O; c
    1ccc2c(c1)cncc2NC(=O)C3(CC(=O)Nc4c3cc(cc
    4)Cl)O    		 (4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
    32766
    P6P
    ZINC000003869919    		 4 C6 H13 O9 P InChI=1S/C6H13O9P/c7-2-6(
    10)5(9)4(8)3(15-6)1-14-16
    (11,12)13/h3-5,7-10H,1-2H
    2,(H2,11,12,13)/t3-,4-,5+
    ,6+/m1/s1;
    BGWGXPAPYGQALX-ZXXMMSQZSA-N    		 C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O
    )OP(=O)(O)O; O=P(O)(O)OCC1OC(O)(CO)C(O)C
    1O; C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O; O
    C[C@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[
    C@@H]1O; OC[C]1(O)O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]1O    		 6-O-phosphono-alpha-D-fructofuranose;
    alpha fructose-6-phosphate;
    6-O-phosphono-alpha-D-fructose;
    6-O-phosphono-D-fructose;
    6-O-phosphono-fructose
    32767
    P6Q    		 1 C5 H8 B10 N O2 S InChI=1S/C5H8B10NO2S/c16-
    19(17,18)3-1-2-4-8-11(4)5
    -6-10(4,5)14(6)13-7(5)12(
    5,11)9(13)15(4,8,13)14/h1
    -3H2,(H2,16,17,18);
    QLNJPQJBMGLBKN-UHFFFAOYSA-N    		 N[S](=O)(=O)CCC[C]123B4[B-]15[B+]67B8[B+
    ]9%10B6[C+]57%11B%12[B-]9([B-]2%11%12)[B
    ]348%10; B12B34B156B37B8B79C813B4B12B31C
    95(B61)CCCS(=O)(=O)N    		 Meta-Carborane propyl-sulfonamide
    32768
    P6R    		 4 C26 H25 Cl N2 O S InChI=1S/C26H25ClN2OS/c1-
    26(2,3)20-8-10-22(11-9-20
    )29(16-23-13-21(27)17-31-
    23)25(30)12-19-15-28-14-1
    8-6-4-5-7-24(18)19/h4-11,
    13-15,17H,12,16H2,1-3H3;
    VAAIHZIVXKAKRN-UHFFFAOYSA-N    		 Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(cc2
    )C(C)(C)C)sc1; CC(C)(C)c1ccc(cc1)N(Cc2cc
    (cs2)Cl)C(=O)Cc3cncc4c3cccc4; CC(C)(C)c1
    ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4cccc
    c34    		 N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide
    32769
    P6S
    ZINC000005933548    		 1 C8 H8 O3 InChI=1S/C8H8O3/c9-8(10)1
    1-6-7-4-2-1-3-5-7/h1-5H,6
    H2,(H,9,10);
    NJAPCAIWQRPQPY-UHFFFAOYSA-N    		 c1ccc(cc1)COC(=O)O; C(OC(=O)O)c1ccccc1;
    OC(=O)OCc1ccccc1    		 benzyl hydrogen carbonate
    32770
    P6T
    CHEMBL1235115
    DB02512
    ZINC000004523255    		 5 C6 H14 O12 P2 InChI=1S/C6H14O12P2/c7-3(
    1-17-19(11,12)13)5(9)6(10
    )4(8)2-18-20(14,15)16/h3,
    5-7,9-10H,1-2H2,(H2,11,12
    ,13)(H2,14,15,16)/t3-,5+,
    6-/m1/s1;
    XPYBSIWDXQFNMH-PQLUHFTBSA-N    		 O[C@H](CO[P](O)(O)=O)[C@H](O)[C@H](O)C(=
    O)CO[P](O)(O)=O; C(C(C(C(C(=O)COP(=O)(O)
    O)O)O)O)OP(=O)(O)O; O=P(O)(O)OCC(=O)C(O)
    C(O)C(O)COP(=O)(O)O; C([C@H]([C@@H]([C@@
    H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O; O[
    CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[
    P](O)(O)=O    		 1,6-di-O-phosphono-D-tagatose
    32771
    P6U
    CHEMBL4098403
    ZINC000584905685    		 5 C16 H18 F5 N3 S InChI=1S/C16H18F5N3S/c1-1
    4(4-5-25-13(22)24-14)10-6
    -9(11(17)7-12(10)18)8-23-
    15(2-3-15)16(19,20)21/h6-
    7,23H,2-5,8H2,1H3,(H2,22,
    24)/t14-/m0/s1;
    XKONRMXLBXCJAM-AWEZNQCLSA-N    		 C[C@]1(CCSC(=N1)N)c2cc(CNC3(CC3)C(F)(F)F
    )c(F)cc2F; CC1(CCSC(=N1)N)c2cc(c(cc2F)F)
    CNC3(CC3)C(F)(F)F; C[C]1(CCSC(=N1)N)c2cc
    (CNC3(CC3)C(F)(F)F)c(F)cc2F; C[C@]1(CCSC
    (=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F    		 (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
    32772
    P6V
    CHEMBL4591933
    ZINC000069635494    		 0 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c9-5-6
    -1-3-7(4-2-6)8(11)10-12/h
    1-4,12H,5,9H2,(H,10,11);
    BEFFEYYOJBJYKA-UHFFFAOYSA-N    		 NCc1ccc(cc1)C(=O)NO; C(NO)(c1ccc(CN)cc1)
    =O; c1cc(ccc1CN)C(=O)NO    		 4-(aminomethyl)-N-hydroxybenzamide
    32773
    P6W
    ZINC000001615340    		 4 C5 H10 N2 O2 InChI=1S/C5H10N2O2/c6-4(8
    )2-1-3-5(7)9/h1-3H2,(H2,6
    ,8)(H2,7,9);
    RCCYSVYHULFYHE-UHFFFAOYSA-N    		 NC(=O)CCCC(N)=O; C(CC(=O)N)CC(=O)N pentanediamide;
    Glutaramide
    32774
    P6X
    ZINC000001281245    		 1 C10 H7 Cl2 N3 O S InChI=1S/C10H7Cl2N3OS/c11
    -7-2-1-6(3-8(7)12)5-17-10
    -14-9(16)4-13-15-10/h1-4H
    ,5H2,(H,14,15,16);
    CFRWHJMZZQCDAT-UHFFFAOYSA-N    		 Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1; Oc1cnnc(S
    Cc2ccc(Cl)c(Cl)c2)n1; c1cc(c(cc1CSc2nc(c
    nn2)O)Cl)Cl    		 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol
    32775
    P6Y
    CHEMBL4475378    		 2 C15 H12 F3 N3 O3 InChI=1S/C15H12F3N3O3/c16
    -15(17,18)12-11(2-1-7-19-
    12)14(23)20-8-9-3-5-10(6-
    4-9)13(22)21-24/h1-7,24H,
    8H2,(H,20,23)(H,21,22);
    SQBRKYYJEYSFMY-UHFFFAOYSA-N    		 ONC(=O)c1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1
    ; c2(C(NCc1ccc(cc1)C(NO)=O)=O)cccnc2C(F)
    (F)F; c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(c
    c2)C(=O)NO    		 N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide
    32776
    P6Z
    ZINC000020357529    		 1 C10 H8 N2 O InChI=1S/C10H8N2O/c13-7-9
    -2-1-3-10(6-9)12-5-4-11-8
    -12/h1-8H;
    CGTQCZGDVDTRDI-UHFFFAOYSA-N    		 c1cc(cc(c1)n2ccnc2)C=O; O=Cc1cccc(c1)n2c
    cnc2    		 3-imidazol-1-ylbenzaldehyde
    32777
    P70    		 2 C17 H19 N2 O7 P InChI=1S/C17H19N2O7P/c1-1
    1-16(20)14(13(8-18-11)10-
    26-27(23,24)25)9-19-15(17
    (21)22)7-12-5-3-2-4-6-12/
    h2-6,8-9,15,20H,7,10H2,1H
    3,(H,21,22)(H2,23,24,25)/
    b19-9+/t15-/m0/s1;
    HMZRFMUDSWAGSO-OMPOGXFXSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](Cc2ccccc2
    )C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C=
    NC(Cc2ccccc2)C(=O)O)O; Cc1ncc(CO[P](O)(O
    )=O)c(C=N[C@@H](Cc2ccccc2)C(O)=O)c1O; Cc
    1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](Cc2cc
    ccc2)C(=O)O)O; C(=O)(O)C(\N=C\c1c(c(C)nc
    c1COP(O)(O)=O)O)Cc2ccccc2    		 (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine
    32778
    P71    		 2 C17 H19 N2 O7 P InChI=1S/C17H19N2O7P/c1-1
    1-16(20)14(13(8-18-11)10-
    26-27(23,24)25)9-19-15(17
    (21)22)7-12-5-3-2-4-6-12/
    h2-6,8-9,18,20H,7,10H2,1H
    3,(H,21,22)(H2,23,24,25)/
    b14-9-,19-15+;
    JRKRKLQVIAQBNI-NQHSUEJOSA-N    		 C(\C(=N\C=C1\C(=CNC(=C1O)C)COP(=O)(O)O)C
    c2ccccc2)(O)=O; CC1=C(C(=CN=C(Cc2ccccc2)
    C(=O)O)C(=CN1)COP(=O)(O)O)O; CC1=C(/C(=C
    \N=C(/Cc2ccccc2)\C(=O)O)/C(=CN1)COP(=O)(
    O)O)O; CC1=C(O)C(=CN=C(Cc2ccccc2)C(O)=O)
    C(=CN1)CO[P](O)(O)=O; CC1=C(O)\C(=C/N=C(
    Cc2ccccc2)C(O)=O)C(=CN1)CO[P](O)(O)=O    		 (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-phenylpropanoic acid
    32779
    P72
    CHEMBL363685
    ZINC000000154053    		 1 C7 H8 N2 O InChI=1S/C7H8N2O/c8-7(9)5
    -1-3-6(10)4-2-5/h1-4,10H,
    (H3,8,9);
    YYXYBWIDIWTCGS-UHFFFAOYSA-N    		 c1cc(ccc1C(=N)N)O; NC(=N)c1ccc(O)cc1; [H
    ]/N=C(\c1ccc(cc1)O)/N    		 4-oxidanylbenzenecarboximidamide
    32780
    P73
    CHEMBL1532400
    ZINC000001030851    		 3 C15 H15 Br2 N3 O InChI=1S/C15H15Br2N3O/c1-
    9(2)10-6-12(16)14(13(17)7
    -10)20-15(21)19-11-4-3-5-
    18-8-11/h3-9H,1-2H3,(H2,1
    9,20,21);
    JFNKIJKRXKPQCC-UHFFFAOYSA-N    		 CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1;
    CC(C)c1cc(c(c(c1)Br)NC(=O)Nc2cccnc2)Br    		 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea
    32781
    P74
    ZINC000098209293    		 2 C24 H36 I N3 O3 InChI=1S/C24H36IN3O3/c1-6
    -28(7-2)20-10-13-27(14-11
    -20)17-19-15-18(16-21(25)
    22(19)29)9-8-12-26-23(30)
    31-24(3,4)5/h15-16,20,29H
    ,6-7,10-14,17H2,1-5H3,(H,
    26,30);
    FCYRMDPXMJYHRX-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCNC(=
    O)OC(C)(C)C; CCN(CC)C1CCN(CC1)Cc2cc(cc(c
    2O)I)C#CCNC(=O)OC(C)(C)C; O=C(OC(C)(C)C)
    NCC#Cc1cc(c(O)c(I)c1)CN2CCC(N(CC)CC)CC2    		 TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE
    32782
    P75
    CHEMBL4638841    		 1 C19 H22 N6 O7 S InChI=1S/C19H22N6O7S/c1-1
    1-7-24(19(28)21-18(11)27)
    17-6-15(16(9-26)32-17)25-
    8-12(22-23-25)10-31-13-2-
    4-14(5-3-13)33(20,29)30/h
    2-5,7-8,15-17,26H,6,9-10H
    2,1H3,(H2,20,29,30)(H,21,
    27,28)/t15-,16+,17+/m0/s1;
    PKERXAQSXFSAIU-GVDBMIGSSA-N    		 CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(COc4cc
    c(cc4)[S](N)(=O)=O)nn3)C(=O)NC1=O; CC1=C
    N(C(=O)NC1=O)C2CC(C(O2)CO)n3cc(nn3)COc4c
    cc(cc4)S(=O)(=O)N; CC1=CN(C(=O)NC1=O)[C@
    H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)COc4ccc(
    cc4)S(=O)(=O)N; CC1=CN([C@H]2C[C@@H]([C@
    @H](CO)O2)n3cc(COc4ccc(cc4)[S](N)(=O)=O)
    nn3)C(=O)NC1=O    		 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide
    32783
    P76
    ZINC000064754853    		 1 C24 H27 N3 O4 InChI=1S/C24H27N3O4/c1-17
    (28)22(23(29)26-31)25-24(
    30)27-15-13-21(14-16-27)2
    0-11-9-19(10-12-20)8-7-18
    -5-3-2-4-6-18/h2-6,9-12,1
    7,21-22,28,31H,13-16H2,1H
    3,(H,25,30)(H,26,29)/t17-
    ,22+/m1/s1;
    SRSVRACVPWREJZ-VGSWGCGISA-N    		 CC(C(C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C
    #Cc3ccccc3)O; O=C(NC(C(=O)NO)C(O)C)N3CCC
    (c2ccc(C#Cc1ccccc1)cc2)CC3; C[C@@H](O)[C
    @H](NC(=O)N1CC[C@H](CC1)c2ccc(cc2)C#Cc3c
    cccc3)C(=O)NO; C[CH](O)[CH](NC(=O)N1CC[C
    H](CC1)c2ccc(cc2)C#Cc3ccccc3)C(=O)NO; C[
    C@H]([C@@H](C(=O)NO)NC(=O)N1CCC(CC1)c2cc
    c(cc2)C#Cc3ccccc3)O    		 N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide
    32784
    P77
    CHEMBL728
    DB00433
    ZINC000019796018    		 17 C20 H24 Cl N3 S InChI=1S/C20H24ClN3S/c1-2
    2-11-13-23(14-12-22)9-4-1
    0-24-17-5-2-3-6-19(17)25-
    20-8-7-16(21)15-18(20)24/
    h2-3,5-8,15H,4,9-14H2,1H3;
    WIKYUJGCLQQFNW-UHFFFAOYSA-N    		 CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1;
    Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4
    ; CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl    		 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
    32785
    P78
    CHEMBL1929196
    ZINC000035922339    		 1 C24 H27 N3 O4 S2 InChI=1S/C24H27N3O4S2/c1-
    24(2,3)20-15-19(22(28)27-
    10-12-33(30,31)13-11-27)2
    1(32-20)26-23(29)25-18-9-
    8-16-6-4-5-7-17(16)14-18/
    h4-9,14-15H,10-13H2,1-3H3
    ,(H2,25,26,29);
    AKQQWIZLJKLJED-UHFFFAOYSA-N    		 O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)CC1)C(C)(
    C)C)Nc4cc3ccccc3cc4; CC(C)(C)c1sc(NC(=O)
    Nc2ccc3ccccc3c2)c(c1)C(=O)N4CC[S](=O)(=O
    )CC4; CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccc
    cc3c2)C(=O)N4CCS(=O)(=O)CC4    		 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea
    32786
    P79
    CHEMBL1929210
    ZINC000034631879    		 1 C24 H29 N5 O4 S InChI=1S/C24H29N5O4S/c1-2
    4(2,3)20-15-21(29(27-20)1
    6-22(30)28-10-12-34(32,33
    )13-11-28)26-23(31)25-19-
    9-8-17-6-4-5-7-18(17)14-1
    9/h4-9,14-15H,10-13,16H2,
    1-3H3,(H2,25,26,31);
    ZTXJXRZDKINTFZ-UHFFFAOYSA-N    		 CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)n(CC(
    =O)N4CC[S](=O)(=O)CC4)n1; O=S4(=O)CCN(C(
    =O)Cn3nc(cc3NC(=O)Nc2cc1ccccc1cc2)C(C)(C
    )C)CC4; CC(C)(C)c1cc(n(n1)CC(=O)N2CCS(=O
    )(=O)CC2)NC(=O)Nc3ccc4ccccc4c3    		 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea
    32787
    P7A
    CHEMBL1929207
    ZINC000038269617    		 1 C23 H27 N3 O3 S2 InChI=1S/C23H27N3O3S2/c1-
    23(2,3)20-15-19(21(30-20)
    26-11-13-31(28,29)14-12-2
    6)25-22(27)24-18-10-6-8-1
    6-7-4-5-9-17(16)18/h4-10,
    15H,11-14H2,1-3H3,(H2,24,
    25,27);
    VRPGNWGNMYKKMF-UHFFFAOYSA-N    		 CC(C)(C)c1sc(N2CC[S](=O)(=O)CC2)c(NC(=O)
    Nc3cccc4ccccc34)c1; O=S4(=O)CCN(c1sc(cc1
    NC(=O)Nc3c2ccccc2ccc3)C(C)(C)C)CC4; CC(C
    )(C)c1cc(c(s1)N2CCS(=O)(=O)CC2)NC(=O)Nc3
    cccc4c3cccc4    		 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea
    32788
    P7B
    CHEMBL1929215
    ZINC000035921529    		 1 C25 H28 N4 O3 S InChI=1S/C25H28N4O3S/c1-2
    5(2,3)20-15-18(23(31)29-1
    3-11-21(30)26-12-14-29)22
    (33-20)28-24(32)27-19-10-
    6-8-16-7-4-5-9-17(16)19/h
    4-10,15H,11-14H2,1-3H3,(H
    ,26,30)(H2,27,28,32);
    SNHWMEWYAPKRQL-UHFFFAOYSA-N    		 O=C(Nc2sc(cc2C(=O)N1CCC(=O)NCC1)C(C)(C)C
    )Nc4c3ccccc3ccc4; CC(C)(C)c1sc(NC(=O)Nc2
    cccc3ccccc23)c(c1)C(=O)N4CCNC(=O)CC4; CC
    (C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(
    =O)N4CCC(=O)NCC4    		 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
    32789
    P7C
    CHEMBL1929238
    ZINC000072318122    		 1 C25 H33 Cl2 N5 O3 S InChI=1S/C25H33Cl2N5O3S/c
    1-25(2,3)19-15-16(22(36-1
    9)29-24(35)28-18-8-6-7-17
    (26)21(18)27)23(34)32-10-
    9-20(33)31(13-14-32)12-11
    -30(4)5/h6-8,15H,9-14H2,1
    -5H3,(H2,28,29,35);
    SIUIQMQVKUUQQF-UHFFFAOYSA-N    		 CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)
    C(=O)N3CCC(=O)N(CC3)CCN(C)C; CN(C)CCN1CC
    N(CCC1=O)C(=O)c2cc(sc2NC(=O)Nc3cccc(Cl)c
    3Cl)C(C)(C)C; O=C(Nc2sc(cc2C(=O)N1CCC(=O
    )N(CCN(C)C)CC1)C(C)(C)C)Nc3cccc(Cl)c3Cl    		 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea
    32790
    P7D
    CHEMBL4296717
    DB12392
    ZINC000013983495    		 6 C16 H19 N3 O4 S InChI=1S/C16H19N3O4S/c1-1
    8(2)11-13-3-6-15(7-4-13)2
    4(22,23)19-10-9-14(12-19)
    5-8-16(20)17-21/h3-10,12,
    21H,11H2,1-2H3,(H,17,20)/
    b8-5+;
    FECGNJPYVFEKOD-VMPITWQZSA-N    		 CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C
    (=O)NO; CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c
    2)C=CC(=O)NO; CN(C)Cc1ccc(cc1)[S](=O)(=O
    )n2ccc(C=CC(=O)NO)c2; CN(C)Cc1ccc(cc1)[S
    ](=O)(=O)n2ccc(\C=C\C(=O)NO)c2; c1cc(ccc
    1CN(C)C)S(n2ccc(\C=C\C(=O)NO)c2)(=O)=O    		 Resminostat;
    (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide
    32791
    P7E    		 1 C13 H16 N2 O4 S InChI=1S/C13H16N2O4S/c1-1
    1(17)14-6-8-15(9-7-14)20(
    18,19)13-4-2-12(10-16)3-5
    -13/h2-5,10H,6-9H2,1H3;
    ADTCFJRHDRXFNB-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
    ; CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O    		 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde
    32792
    P7F
    CHEMBL247951
    DB15212    		 8 C28 H30 N2 O6 InChI=1S/C28H30N2O6/c1-3-
    25(27(31)32)35-23-9-6-8-2
    0(18-23)19-30(28-29-24-10
    -4-5-11-26(24)36-28)16-7-
    17-34-22-14-12-21(33-2)13
    -15-22/h4-6,8-15,18,25H,3
    ,7,16-17,19H2,1-2H3,(H,31
    ,32)/t25-/m1/s1;
    ZHKNLJLMDFQVHJ-RUZDIDTESA-N    		 CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(c
    c2)OC)c3nc4ccccc4o3; CCC(C(=O)O)Oc1cccc(
    c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3; CC
    [CH](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4cc
    ccc4n3)c1)C(O)=O; CC[C@@H](Oc1cccc(CN(CC
    COc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O    		 (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
    32793
    P7G    		 0 C13 H22 N5 O8 P InChI=1S/C13H22N5O8P/c1-2
    -3-17-5-18(10-7(17)11(21)
    16-13(14)15-10)12-9(20)8(
    19)6(26-12)4-25-27(22,23)
    24/h6,8-9,12,19-20H,2-5H2
    ,1H3,(H2,22,23,24)(H3,14,
    15,16,21)/t6-,8-,9-,12-/m
    1/s1;
    RYXOSWCCKYWJKM-WOUKDFQISA-N    		 CCCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]2O)C3=C1C(=O)N=C(N)N3; CCCN1CN([C@@H
    ]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)
    C3=C1C(=O)N=C(N)N3; CCCN1CN(C2=C1C(=O)N=
    C(N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O; CCCN1
    CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)COP(=O)(O)O)O)O    		 7-propyl, guanosine-5'-monophosphate
    32794
    P7H    		 1 C8 H16 B10 N2 O4 S2 InChI=1S/C8H16B10N2O4S2/c
    19-25(21,22)5-1-3-7-9-8(4
    -2-6-26(20,23)24)10(7,9)1
    2(7)14(8,10)16(8)13(8,9)1
    1(7,9)15(7,12)17(11,13,16
    )18(12,14,15)16/h1-6H2,(H
    2,19,21,22)(H2,20,23,24);
    XTUMZYHPWIIDIL-UHFFFAOYSA-N    		 N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5
    %11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%1
    5%17[B]3%18%19[B]47%11[B]%12%13%18[C]%14
    %16%17%19CCC[S](N)(=O)=O; B1234B567B189B
    212B33%10B454B656B787C911(B232B715C4%106
    2CCCS(=O)(=O)N)CCCS(=O)(=O)N    		 Meta-Carborane di-propyl-sulfonamide
    32795
    P7I
    CHEMBL1321977
    ZINC000055157330    		 3 C2 H8 N O3 P InChI=1S/C2H8NO3P/c3-1-2-
    7(4,5)6/h1-3H2,(H2,4,5,6);
    QQVDJLLNRSOCEL-UHFFFAOYSA-N    		 NCC[P](O)(O)=O; C(CP(=O)(O)O)N; O=P(O)(O
    )CCN    		 (2-aminoethyl)phosphonic acid
    32796
    P7J
    CHEMBL4571732    		 1 C18 H26 N2 O2 InChI=1S/C18H26N2O2/c1-18
    (2)15-8-7-14(16(18)9-15)1
    1-19-10-12-3-5-13(6-4-12)
    17(21)20-22/h3-6,14-16,19
    ,22H,7-11H2,1-2H3,(H,20,2
    1)/t14-,15+,16+/m0/s1;
    JDQKGQWEIJPQSI-ARFHVFGLSA-N    		 CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3
    )C(=O)NO)C; CC1(C)[C@@H]2CC[C@@H](CNCc3c
    cc(cc3)C(=O)NO)[C@H]1C2; CC1(C)[CH]2CC[C
    H](CNCc3ccc(cc3)C(=O)NO)[CH]1C2; CC1(C2C
    CC(C1C2)CNCc3ccc(cc3)C(=O)NO)C; c3c(CNCC
    2CCC1CC2C1(C)C)ccc(C(NO)=O)c3    		 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide
    32797
    P7K
    CHEMBL2152477
    ZINC000006067381    		 2 C20 H16 O5 InChI=1S/C20H16O5/c1-20(2
    4)8-10-6-7-12-17(15(10)13
    (21)9-20)19(23)11-4-3-5-1
    4(25-2)16(11)18(12)22/h3-
    7,24H,8-9H2,1-2H3/t20-/m1
    /s1;
    XZLGWJORNHETKI-HXUWFJFHSA-N    		 CC1(Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=
    O)OC)O; COc1cccc2C(=O)c3c(ccc4C[C](C)(O)
    CC(=O)c34)C(=O)c12; C[C@]1(Cc2ccc3c(c2C(
    =O)C1)C(=O)c4cccc(c4C3=O)OC)O; COc1cccc2
    C(=O)c3c(ccc4C[C@@](C)(O)CC(=O)c34)C(=O)
    c12    		 (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
    32798
    P7L    		 4 C23 H19 Cl N2 O2 S InChI=1S/C23H19ClN2O2S/c1
    -28-20-8-6-19(7-9-20)26(1
    4-21-11-18(24)15-29-21)23
    (27)10-17-13-25-12-16-4-2
    -3-5-22(16)17/h2-9,11-13,
    15H,10,14H2,1H3;
    CKKMMWWEOWLHCZ-UHFFFAOYSA-N    		 COc1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4
    ccccc34; Clc1cc(CN(C(=O)Cc2cncc3ccccc32)
    c2ccc(OC)cc2)sc1; COc1ccc(cc1)N(Cc2cc(cs
    2)Cl)C(=O)Cc3cncc4c3cccc4    		 N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide
    32799
    P7M
    CHEMBL2110587
    DB11941
    ZINC000003816311    		 2 C11 H6 Br Cl2 N O3 S2 InChI=1S/C11H6BrCl2NO3S2/
    c12-9-3-4-10(19-9)20(17,1
    8)15-11(16)7-2-1-6(13)5-8
    (7)14/h1-5H,(H,15,16);
    WWONFUQGBVOKOF-UHFFFAOYSA-N    		 Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br
    )cc2; c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2c
    cc(s2)Br; c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(c
    c2)Br)(=O)=O    		 N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide;
    Tasisulam
    32800
    P7N    		 4 C22 H22 F3 N7 O3 S InChI=1S/C22H22F3N7O3S/c1
    -32(36(2,34)35)20-14(4-3-
    9-26-20)11-27-19-16(22(23
    ,24)25)12-28-21(31-19)29-
    15-6-7-17-13(10-15)5-8-18
    (33)30-17/h3-4,6-7,9-10,1
    2H,5,8,11H2,1-2H3,(H,30,3
    3)(H2,27,28,29,31);
    MUVVMGFRHXQCRG-UHFFFAOYSA-N    		 CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)CCc4c3)nc
    c2C(F)(F)F)[S](C)(=O)=O; CN(c1c(cccn1)CN
    c2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)
    F)S(=O)(=O)C    		 ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
    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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