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

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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    37201
    PIB
    ZINC000015569120    		 9 C17 H32 O16 P2 InChI=1S/C17H32O16P2/c1-3
    -5-10(18)29-7-9(31-11(19)
    6-4-2)8-30-35(27,28)33-17
    -14(22)12(20)13(21)16(15(
    17)23)32-34(24,25)26/h9,1
    2-17,20-23H,3-8H2,1-2H3,(
    H,27,28)(H2,24,25,26)/t9-
    ,12-,13-,14+,15+,16+,17-/
    m0/s1;
    NKJZZWLREOAJGO-HODIZBBFSA-N    		 CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)
    [CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)O
    C(=O)CCC; CCCC(=O)OCC(COP(=O)(O)OC1C(C(C
    (C(C1O)OP(=O)(O)O)O)O)O)OC(=O)CCC; CCCC(
    =O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([
    C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O
    )O)OC(=O)CCC; CCCC(=O)OC[C@@H](CO[P@@](O
    )(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@
    @H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCC; O=C(
    OCC(OC(=O)CCC)COP(=O)(OC1C(O)C(O)C(O)C(O
    P(=O)(O)O)C1O)O)CCC    		 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE;
    D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO
    37202
    PIC
    CHEMBL99447
    DB08397
    ZINC000002047327    		 1 C12 H9 F2 O5 P InChI=1S/C12H9F2O5P/c13-1
    2(14,20(17,18)19)10-4-3-7
    -5-9(11(15)16)2-1-8(7)6-1
    0/h1-6H,(H,15,16)(H2,17,1
    8,19);
    NKGNOWNPXBURRW-UHFFFAOYSA-N    		 FC(F)(c2ccc1c(ccc(c1)C(=O)O)c2)P(=O)(O)O
    ; c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O
    )O; OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(
    O)=O    		 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID
    37203
    PID    		 198 C39 H50 O7 InChI=1S/C39H50O7/c1-26(1
    6-17-33-35(4,5)24-32(44-2
    8(3)40)25-37(33,8)43)14-1
    2-10-11-13-15-27(2)20-31-
    21-29(34(42)45-31)18-19-3
    9-36(6,7)22-30(41)23-38(3
    9,9)46-39/h10-16,18-21,30
    ,32,41,43H,22-25H2,1-9H3/
    b12-10+,13-11+,19-18+,26-
    14+,27-15+,31-20-/t17-,30
    -,32-,37+,38+,39-/m0/s1;
    UYRDHEJRPVSJFM-FROCQLDGSA-N    		 CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC
    =CC=CC=C(C)C=C2OC(=O)C(=C2)C=C[C]34O[C]3
    (C)C[CH](O)CC4(C)C)[C](C)(O)C1; CC(=CC=C
    C=CC=C(C)C=C1C=C(C(=O)O1)C=CC23C(CC(CC2(
    O3)C)O)(C)C)C=C=C4C(CC(CC4(C)O)OC(=O)C)(
    C)C; CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=
    O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)
    (C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C
    )(C)C; O=C(OC4CC(\C(=C=C\C(=C\C=C\C=C\C=
    C(\C=C1/OC(=O)C(=C1)/C=C/C23OC3(C)CC(O)C
    C2(C)C)C)C)C(O)(C)C4)(C)C)C; CC(=O)O[C@H
    ]1CC(C)(C)[C](=[C@]=[CH]/C(C)=C/C=C/C=C/
    C=C(C)/C=C/2OC(=O)C(=C/2)/C=C/[C@@]34O[C
    @]3(C)C[C@@H](O)CC4(C)C)[C@](C)(O)C1    		 PERIDININ
    37204
    PIE
    DB02144    		 23 C43 H80 O13 P InChI=1S/C43H81O13P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-37(45)55
    -35(34-54-57(51,52)56-43-
    41(49)39(47)38(46)40(48)4
    2(43)50)33-53-36(44)31-29
    -27-25-23-21-19-16-14-12-
    10-8-6-4-2/h17-18,35,38-4
    3,46-50H,3-16,19-34H2,1-2
    H3,(H,51,52)/p-1/b18-17+/
    t35-,38-,39-,40+,41-,42-,
    43-/m1/s1;
    PDLAMJKMOKWLAJ-OJERQSHOSA-M    		 CCCCCCCCCCCCCCCC(=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)CCCCCCC\C=C\CCCCCCCC; CCCCCCCC
    CCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(
    C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O
    )O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](
    O)[C@H]1O)OC(=O)CCCCCCC\C=C\CCCCCCCC; O=
    C(OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COP([O-
    ])(=O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([
    O-])(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](
    O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC    		 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol
    37205
    PIF
    ZINC000150339754    		 4 C25 H48 O16 P2 InChI=1S/C25H48O16P2/c1-3
    -5-7-9-11-13-18(26)37-15-
    17(39-19(27)14-12-10-8-6-
    4-2)16-38-43(35,36)41-25-
    22(30)20(28)24(21(29)23(2
    5)31)40-42(32,33)34/h17,2
    0-25,28-31H,3-16H2,1-2H3,
    (H,35,36)(H2,32,33,34)/t1
    7-,20-,21+,22-,23-,24+,25
    +/m1/s1;
    SNIQYSSXZJPPEL-LKTRINTESA-N    		 CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@
    H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)
    O)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@H](CO[
    P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](
    O[P](O)(O)=O)[C@H](O)[C@H]1O)OC(=O)CCCCC
    CC; O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C
    (O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCC; CCC
    CCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)
    OP(=O)(O)O)O)O)OC(=O)CCCCCCC; CCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O
    )[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)C
    CCCCCC    		 (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate;
    L-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4-PHOSPHATE;
    D(+)SN1,2DI-O-OCTANOYLGLYCERYL
    37206
    PIG
    CHEMBL1235259
    DB02327    		 0 C6 H14 O4 InChI=1/C6H14O4/c7-1-3-9-
    5-6-10-4-2-8/h7-8H,1-6H2;
    ZIBGPFATKBEMQZ-UHFFFAOYAS    		 C(COCCOCCO)O; OCCOCCOCCO 2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL
    37207
    PIH
    CHEMBL116296
    DB02252
    ZINC000001699878    		 5 C6 H5 I InChI=1S/C6H5I/c7-6-4-2-1
    -3-5-6/h1-5H;
    SNHMUERNLJLMHN-UHFFFAOYSA-N    		 Ic1ccccc1; c1ccc(cc1)I iodobenzene
    37208
    PII
    ZINC000150344098    		 3 C42 H81 O13 P InChI=1S/C42H81O13P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-36(44)54-34
    (33-53-56(50,51)55-42-40(
    48)38(46)37(45)39(47)41(4
    2)49)32-52-35(43)30-28-26
    -24-22-20-18-16-14-12-10-
    8-6-4-2/h34,37-42,45-49H,
    3-33H2,1-2H3,(H,50,51)/t3
    4-,37-,38-,39+,40-,41-,42
    -/m1/s1;
    QVAGJHIIXLLVCI-KSGPIMHQSA-N    		 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC
    CCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O;
    CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC
    CCCCCCCCCCC)CO[P@](O)(=O)O[C@@H]1[C@H](O
    )[C@H](O)[C@@H](O)[C@H](O)[C@H]1O; O=C(O
    CC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(OC1C(O
    )C(O)C(O)C(O)C1O)O)CCCCCCCCCCCCCCC; CCCC
    CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC
    CCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C(
    [C@@H]([C@H]1O)O)O)O)O; CCCCCCCCCCCCCCCC
    C(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](
    O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)
    [CH]1O    		 2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE
    37209
    PIJ    		 7 C42 H81 O13 P InChI=1S/C42H81O13P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-36(44)54-34
    (33-53-56(50,51)55-42-40(
    48)38(46)37(45)39(47)41(4
    2)49)32-52-35(43)30-28-26
    -24-22-20-18-16-14-12-10-
    8-6-4-2/h34,37-42,45-49H,
    3-33H2,1-2H3,(H,50,51)/t3
    4-,37-,38-,39+,40+,41-,42
    -/m0/s1;
    QVAGJHIIXLLVCI-XTAHIRAYSA-N    		 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC
    CCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O;
    CCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC
    CCCCCCCCCCCC)CO[P@](=O)(O)OC1[C@@H]([C@H
    ](C([C@H]([C@@H]1O)O)O)O)O; O=C(OCC(OC(=
    O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)
    C(O)C(O)C1O)CCCCCCCCCCCCCCC; CCCCCCCCCCC
    CCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC
    )CO[P](O)(=O)O[C@@H]1[C@@H](O)[C@H](O)[C
    @@H](O)[C@H](O)[C@H]1O; CCCCCCCCCCCCCCCC
    C(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](
    O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)
    [CH]1O    		 [(2S)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] heptadecanoate
    37210
    PIK
    ZINC000150339449    		 9 C41 H81 O19 P3 InChI=1S/C41H81O19P3/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-34(42)55-31-3
    3(57-35(43)30-28-26-24-22
    -20-18-16-14-12-10-8-6-4-
    2)32-56-63(53,54)60-39-36
    (44)37(45)40(58-61(47,48)
    49)41(38(39)46)59-62(50,5
    1)52/h33,36-41,44-46H,3-3
    2H2,1-2H3,(H,53,54)(H2,47
    ,48,49)(H2,50,51,52)/t33-
    ,36+,37-,38-,39+,40+,41+/
    m0/s1;
    HKWJHKSHEWVOSS-MVLQGUJPSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C
    (C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O
    )CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC
    [C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([
    C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)
    O)O)O)OC(=O)CCCCCCCCCCCCCCC; O=C(OCC(OC(
    =O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)
    C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCC
    CCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P
    ](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O
    [P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)O
    C(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O
    )[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH
    ]1O)OC(=O)CCCCCCCCCCCCCCC    		 (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate;
    PI(4,5)P2 dipalmitoyl (16:0,16:0)
    37211
    PIL
    CHEMBL42126
    DB01791
    ZINC000000598965    		 6 C18 H18 Cl2 N2 O3 InChI=1S/C18H18Cl2N2O3/c1
    -24-15-7-6-11(8-16(15)25-
    12-4-2-3-5-12)18(23)22-17
    -13(19)9-21-10-14(17)20/h
    6-10,12H,2-5H2,1H3,(H,21,
    22,23);
    RRRUXBQSQLKHEL-UHFFFAOYSA-N    		 COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl
    ; Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(C
    l)cnc3; COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl
    )cncc3Cl    		 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE;
    PICLAMILAST
    37212
    PIM
    CHEMBL14145
    DB03254
    ZINC000004692811    		 22 C9 H8 N2 InChI=1S/C9H8N2/c1-2-4-8(
    5-3-1)9-6-10-7-11-9/h1-7H
    ,(H,10,11);
    XHLKOHSAWQPOFO-UHFFFAOYSA-N    		 c1ccc(cc1)c2cnc[nH]2; n2cc(c1ccccc1)nc2;
    [nH]1cncc1c2ccccc2    		 4-PHENYL-1H-IMIDAZOLE
    37213
    PIN
    ZINC000019364835    		 43 C8 H18 N2 O6 S2 InChI=1S/C8H18N2O6S2/c11-
    17(12,13)7-5-9-1-2-10(4-3
    -9)6-8-18(14,15)16/h1-8H2
    ,(H,11,12,13)(H,14,15,16);
    IHPYMWDTONKSCO-UHFFFAOYSA-N    		 O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1; C1CN
    (CCN1CCS(=O)(=O)O)CCS(=O)(=O)O; O[S](=O)
    (=O)CCN1CCN(CC1)CC[S](O)(=O)=O    		 PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID);
    PIPES;
    1,4-PIPERAZINEDIETHANESULFONIC ACID
    37214
    PIO
    ZINC000097972490    		 551 C25 H49 O19 P3 InChI=1S/C25H49O19P3/c1-3
    -5-7-9-11-13-18(26)39-15-
    17(41-19(27)14-12-10-8-6-
    4-2)16-40-47(37,38)44-23-
    20(28)21(29)24(42-45(31,3
    2)33)25(22(23)30)43-46(34
    ,35)36/h17,20-25,28-30H,3
    -16H2,1-2H3,(H,37,38)(H2,
    31,32,33)(H2,34,35,36)/t1
    7-,20-,21+,22+,23-,24-,25
    -/m1/s1;
    XLNCEHRXXWQMPK-MJUMVPIBSA-N    		 CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1
    [C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H
    ](O[P](O)(O)=O)[C@H]1O)OC(=O)CCCCCCC; CC
    CCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](
    O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(
    O)=O)[CH]1O)OC(=O)CCCCCCC; CCCCCCCC(=O)O
    CC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O
    P(=O)(O)O)O)O)OC(=O)CCCCCCC; CCCCCCCC(=O
    )OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]
    ([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(
    O)O)O)O)OC(=O)CCCCCCC; O=C(OCC(OC(=O)CCC
    CCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C
    (OP(=O)(O)O)C1O)CCCCCCC    		 [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate;
    dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate
    37215
    PIP
    CHEMBL15487
    ZINC000001529277    		 0 C5 H11 N InChI=1S/C5H11N/c1-2-4-6-
    5-3-1/h6H,1-5H2;
    NQRYJNQNLNOLGT-UHFFFAOYSA-N    		 N1CCCCC1; C1CCNCC1 PIPERIDINE
    37216
    PIQ
    CHEMBL1213271
    DB08398
    ZINC000001850101    		 2 C13 H12 N4 InChI=1S/C13H12N4/c1-17-1
    1-7-10(9-5-3-2-4-6-9)8-15
    -12(11)16-13(17)14/h2-8H,
    1H3,(H2,14,15,16);
    UQVKZNNCIHJZLS-UHFFFAOYSA-N    		 Cn1c2cc(cnc2nc1N)c3ccccc3; Cn1c(N)nc2ncc
    (cc12)c3ccccc3; n1cc(cc2c1nc(n2C)N)c3ccc
    cc3    		 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
    37217
    PIR
    ZINC000005933433    		 4 C11 H16 N2 O3 InChI=1S/C11H16N2O3/c12-7
    -3-1-6(2-4-7)9-11(16)10(1
    5)8(5-14)13-9/h1-4,8-11,1
    3-16H,5,12H2/t8-,9+,10-,1
    1+/m1/s1;
    SQENVZNKXLCDLF-YTWAJWBKSA-N    		 c1cc(ccc1C2C(C(C(N2)CO)O)O)N; c1cc(ccc1[
    C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N; Nc
    1ccc(cc1)[C@@H]2N[C@H](CO)[C@@H](O)[C@H]
    2O; Nc1ccc(cc1)[CH]2N[CH](CO)[CH](O)[CH]
    2O; OC2C(c1ccc(N)cc1)NC(CO)C2O    		 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL
    37218
    PIS
    DB02423    		 30 H3 O6 P2 S InChI=1S/H4O6P2S/c1-7(2,3
    )6-8(4,5)9/h(H2,1,2,3)(H2
    ,4,5,9)/p-1;
    HWTUHTNZLQJJEV-UHFFFAOYSA-M    		 OP(=O)(O)O[P@](=O)(O)[S-]; OP(=O)(O)OP(=
    O)(O)[S-]; O[P](O)(=O)O[P@](O)([S-])=O;
    O[P](O)(=O)O[P](O)([S-])=O; [S-]P(=O)(O)
    OP(=O)(O)O    		 TRIHYDROGEN THIODIPHOSPHATE;
    THIOPYROPHOSPHATE
    37219
    PIT
    CHEMBL69863
    DB08399
    ZINC000000014036    		 46 C14 H12 O4 InChI=1S/C14H12O4/c15-11-
    5-10(6-12(16)8-11)2-1-9-3
    -4-13(17)14(18)7-9/h1-8,1
    5-18H/b2-1+;
    CDRPUGZCRXZLFL-OWOJBTEDSA-N    		 Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1; c1cc(
    c(cc1C=Cc2cc(cc(c2)O)O)O)O; c1cc(c(cc1\C
    =C\c2cc(cc(c2)O)O)O)O; Oc1cc(O)cc(C=Cc2c
    cc(O)c(O)c2)c1; Oc2ccc(\C=C\c1cc(O)cc(O)
    c1)cc2O    		 PICEATANNOL;
    4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL
    37220
    PIU
    CHEMBL1184499
    DB04763
    ZINC000012504500    		 1 C16 H21 N2 O2 S InChI=1S/C16H21N2O2S/c1-1
    2-10-13(2)18(14(3)11-12)9
    -8-15-4-6-16(7-5-15)21(17
    ,19)20/h4-7,10-11H,8-9H2,
    1-3H3,(H2,17,19,20)/q+1;
    UXBCHTZINZNVRG-UHFFFAOYSA-N    		 Cc1cc(C)[n+](CCc2ccc(cc2)[S](N)(=O)=O)c(
    C)c1; O=S(=O)(N)c1ccc(cc1)CC[n+]2c(cc(cc
    2C)C)C; Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(
    =O)(=O)N)C    		 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM;
    1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM
    37221
    PIV
    CHEMBL322719
    ZINC000000007993    		 2 C5 H10 O2 InChI=1S/C5H10O2/c1-5(2,3
    )4(6)7/h1-3H3,(H,6,7);
    IUGYQRQAERSCNH-UHFFFAOYSA-N    		 CC(C)(C)C(O)=O; CC(C)(C)C(=O)O; O=C(O)C(
    C)(C)C    		 PIVALIC ACID
    37222
    PIW
    CHEMBL275066
    ZINC000000160340    		 4 C9 H8 N2 InChI=1S/C9H8N2/c1-2-4-9(
    5-3-1)11-7-6-10-8-11/h1-8
    H;
    SEULWJSKCVACTH-UHFFFAOYSA-N    		 c1ccc(cc1)n2ccnc2; n2ccn(c1ccccc1)c2 1-phenyl-1H-imidazole
    37223
    PIX
    DB08400
    ZINC000038996622    		 4 C19 H19 F3 N2 O3 InChI=1S/C19H19F3N2O3/c20
    -19(21,22)15-4-5-17(23-12
    -15)27-16-3-1-2-14(11-16)
    10-13-6-8-24(9-7-13)18(25
    )26/h1-5,11-13H,6-10H2,(H
    ,25,26);
    KUEKMTNOUPAOBS-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(C(=O
    )O)CC3; c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)C
    C3CCN(CC3)C(=O)O; OC(=O)N1CCC(CC1)Cc2ccc
    c(Oc3ccc(cn3)C(F)(F)F)c2    		 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
    37224
    PIY
    CHEMBL14189
    ZINC000000333848    		 4 C9 H8 N2 InChI=1S/C9H8N2/c1-2-4-8(
    5-3-1)9-10-6-7-11-9/h1-7H
    ,(H,10,11);
    ZCUJYXPAKHMBAZ-UHFFFAOYSA-N    		 c1ccc(cc1)c2[nH]ccn2; n1ccnc1c2ccccc2; [
    nH]1ccnc1c2ccccc2    		 2-phenyl-1H-imidazole
    37225
    PIZ    		 2 C41 H82 O22 P4 InChI=1S/C41H82O22P4/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-34(42)57-31-3
    3(59-35(43)30-28-26-24-22
    -20-18-16-14-12-10-8-6-4-
    2)32-58-67(55,56)63-38-36
    (44)39(60-64(46,47)48)41(
    62-66(52,53)54)40(37(38)4
    5)61-65(49,50)51/h33,36-4
    1,44-45H,3-32H2,1-2H3,(H,
    55,56)(H2,46,47,48)(H2,49
    ,50,51)(H2,52,53,54)/t33-
    ,36-,37-,38-,39+,40-,41-/
    m0/s1;
    ZSZXYWFCIKKZBT-XMZWCAJNSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    [CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](
    O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)C
    CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OCC(
    COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=
    O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCC
    C; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)
    (=O)O[C@@H]1[C@H](O)[C@H](O[P](O)(O)=O)[
    C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C
    @H]1O)OC(=O)CCCCCCCCCCCCCCC; O=C(OCC(OC(
    =O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(OP
    (=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)C
    CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C
    @@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([
    C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)
    O)OC(=O)CCCCCCCCCCCCCCC    		 (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate;
    PI(3,4,5)P3 dipalmitoyl (16:0, 16:0)
    37226
    PJ0
    CHEMBL5186479
    ZINC000022628281    		 1 C9 H9 N3 InChI=1S/C9H9N3/c1-6-5-8-
    7(12-9(6)10)3-2-4-11-8/h2
    -5H,1H3,(H2,10,12);
    QRLYUZQZBLJANT-UHFFFAOYSA-N    		 Cc1cc2ncccc2nc1N; Cc1cc2c(cccn2)nc1N 3-methyl-1,5-naphthyridin-2-amine
    37227
    PJ1    		 1 C13 H16 Cl N3 O InChI=1S/C13H16ClN3O/c1-1
    6(12-4-2-11(14)3-5-12)8-1
    3(18)9-17-7-6-15-10-17/h2
    -7,10,13,18H,8-9H2,1H3/t1
    3-/m1/s1;
    KGEMWOTUFKRWDE-CYBMUJFWSA-N    		 CN(CC(Cn1ccnc1)O)c2ccc(cc2)Cl; CN(C[C@@H
    ](O)Cn1ccnc1)c2ccc(Cl)cc2; CN(C[C@H](Cn1
    ccnc1)O)c2ccc(cc2)Cl; CN(C[CH](O)Cn1ccnc
    1)c2ccc(Cl)cc2; c1(ccc(cc1)Cl)N(CC(Cn2cc
    nc2)O)C    		 (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol
    37228
    PJ2
    ZINC000100612358    		 3 C20 H30 O4 InChI=1S/C20H30O4/c1-2-3-
    6-10-17(21)13-14-18-16(12
    -15-19(18)22)9-7-4-5-8-11
    -20(23)24/h4,7,12,14-17,2
    1H,2-3,5-6,8-11,13H2,1H3,
    (H,23,24)/b7-4-,18-14-/t1
    6-,17-/m0/s1;
    TUXFWOHFPFBNEJ-WHYHPIPXSA-N    		 CCCCC[C@H](O)C\C=C/1[C@@H](C\C=C/CCCC(O)
    =O)C=CC/1=O; CCCCCC(CC=C1C(C=CC1=O)CC=CC
    CCC(=O)O)O; CCCCC[C@@H](C/C=C\1/[C@H](C=
    CC1=O)C/C=C\CCCC(=O)O)O; CCCCC[CH](O)CC=
    C1[CH](CC=CCCCC(O)=O)C=CC1=O; O=C(O)CCC/
    C=C\CC1C=CC(=O)\C1=C/CC(O)CCCCC    		 (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid;
    delta12-prostaglandine J2
    37229
    PJ3    		 0 C17 H25 N8 O9 P InChI=1S/C17H25N8O9P/c1-2
    3-6-25(13-10(23)14(28)22-
    17(19)21-13)15-12(27)11(2
    6)9(34-15)4-33-35(31,32)2
    4-3-7(20-5-24)2-8(18)16(2
    9)30/h3,5,8-9,11-12,15,26
    -27H,2,4,6,18H2,1H3,(H,29
    ,30)(H,31,32)(H3,19,21,22
    ,28)/t8-,9+,11+,12+,15+/m
    0/s1;
    GHFKLICNYXEREV-OPYVMVOTSA-N    		 CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C
    @@H]([C@H](O3)COP(=O)(n4cc(nc4)C[C@@H](C
    (=O)O)N)O)O)O; CN1CN([C@@H]2O[C@H](CO[P]
    (O)(=O)n3cnc(C[C@H](N)C(O)=O)c3)[C@@H](O
    )[C@H]2O)C4=C1C(=O)NC(=N4)N; CN1CN(C2=C1
    C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(n4cc(nc
    4)CC(C(=O)O)N)O)O)O; CN1CN([CH]2O[CH](CO
    [P](O)(=O)n3cnc(C[CH](N)C(O)=O)c3)[CH](O
    )[CH]2O)C4=C1C(=O)NC(=N4)N    		 (2~{S})-2-azanyl-3-[1-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-4-yl]propanoic acid;
    7GMP capped histidine
    37230
    PJ4    		 1 C14 H18 Cl N3 InChI=1S/C14H18ClN3/c1-17
    -6-8-18(9-7-17)14-12-5-3-
    2-4-11(12)10-13(15)16-14/
    h2-5,14H,6-10H2,1H3;
    CNZUDFLBFGHIKZ-UHFFFAOYSA-N    		 CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl; c12C(N=C
    (Cl)Cc1cccc2)N3CCN(CC3)C; CN1CCN(CC1)[CH
    ]2N=C(Cl)Cc3ccccc23; CN1CCN(CC1)[C@H]2N=
    C(Cl)Cc3ccccc23    		 (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline
    37231
    PJ5    		 1 C6 H12 O4 InChI=1S/C6H12O4/c7-2-3-1
    -4(8)6(10)5(3)9/h3-10H,1-
    2H2/t3-,4-,5-,6-/m0/s1;
    PHKHGSSZAJVEQK-BXKVDMCESA-N    		 OC[CH]1C[CH](O)[CH](O)[CH]1O; C1C(C(C(C1
    O)O)O)CO; C1[C@H]([C@@H]([C@H]([C@H]1O)O
    )O)CO; OC[C@@H]1C[C@H](O)[C@H](O)[C@H]1O    		 (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol
    37232
    PJ6    		 5 C20 H17 Cl N2 O3 InChI=1S/C20H17ClN2O3/c1-
    25-20(8-9-26-18-7-6-14(21
    )10-16(18)20)19(24)23-17-
    12-22-11-13-4-2-3-5-15(13
    )17/h2-7,10-12H,8-9H2,1H3
    ,(H,23,24)/t20-/m0/s1;
    FRAUGLSYTUOOAF-FQEVSTJZSA-N    		 Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc
    21; CO[C@]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cnc
    c4ccccc34; CO[C]1(CCOc2ccc(Cl)cc12)C(=O)
    Nc3cncc4ccccc34; COC1(CCOc2c1cc(cc2)Cl)C
    (=O)Nc3cncc4c3cccc4; CO[C@]1(CCOc2c1cc(c
    c2)Cl)C(=O)Nc3cncc4c3cccc4    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    37233
    PJ7    		 2 C5 H5 N O3 InChI=1S/C5H5NO3/c6-3-1-4
    (5(7)8)9-2-3/h1-2H,6H2,(H
    ,7,8);
    JZMYAVSMLZDPMH-UHFFFAOYSA-N    		 O=C(O)c1occ(N)c1; c1c(coc1C(=O)O)N; Nc1c
    oc(c1)C(O)=O    		 4-aminofuran-2-carboxylic acid
    37234
    PJ8
    CHEMBL3185332
    ZINC000008217397    		 2 C17 H36 InChI=1S/C17H36/c1-3-5-7-
    9-11-13-15-17-16-14-12-10
    -8-6-4-2/h3-17H2,1-2H3;
    NDJKXXJCMXVBJW-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCC heptadecane
    37235
    PJA
    CHEMBL176570
    ZINC000001598047    		 1 C18 H14 O8 InChI=1S/C18H14O8/c1-7-4-
    11(20)10(6-19)15-13(7)18(
    23)26-14-8(2)12(24-3)5-9(
    17(21)22)16(14)25-15/h4-6
    ,20H,1-3H3,(H,21,22);
    FUCWJKJZOHOLEO-UHFFFAOYSA-N    		 O=C(O)c1c2Oc3c(C(=O)Oc2c(c(OC)c1)C)c(cc(
    O)c3C=O)C; COc1cc(C(O)=O)c2Oc3c(C=O)c(O)
    cc(C)c3C(=O)Oc2c1C; Cc1cc(c(c2c1C(=O)Oc3
    c(c(cc(c3O2)C(=O)O)OC)C)C=O)O    		 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid;
    Psoromic acid
    37236
    PJB    		 1 C17 H16 N4 O4 S InChI=1S/C17H16N4O4S/c1-2
    5-11-6-7-14(22)13(8-11)15
    -19-20-17(26)21(15)18-9-1
    0-4-2-3-5-12(10)16(23)24/
    h2-8,18,22H,9H2,1H3,(H,20
    ,26)(H,23,24);
    OLMZFBBODPIUOT-UHFFFAOYSA-N    		 COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)
    O)O; COc1ccc(O)c(c1)C2=NNC(=S)N2NCc3cccc
    c3C(O)=O    		 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
    37237
    PJC
    CHEMBL1235315
    ZINC000058650199    		 1 C22 H16 F3 N5 O3 InChI=1S/C22H16F3N5O3/c23
    -22(24,25)14-10-27-21(30-
    7-5-11(31)6-8-30)28-18(14
    )17-16(19(32)29-20(17)33)
    13-9-26-15-4-2-1-3-12(13)
    15/h1-4,9-10,26H,5-8H2,(H
    ,29,32,33);
    MYIILBMNTUDZDH-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(
    cnc(n4)N5CCC(=O)CC5)C(F)(F)F; FC(F)(F)c1
    cnc(nc1C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)
    N5CCC(=O)CC5    		 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione
    37238
    PJD
    ZINC000000138587    		 1 C8 H8 Cl2 O2 S InChI=1S/C8H8Cl2O2S/c1-13
    (11,12)5-6-7(9)3-2-4-8(6)
    10/h2-4H,5H2,1H3;
    YQGFLUVOLNGRET-UHFFFAOYSA-N    		 c1(c(cccc1Cl)Cl)CS(C)(=O)=O; CS(=O)(=O)C
    c1c(cccc1Cl)Cl; C[S](=O)(=O)Cc1c(Cl)cccc
    1Cl    		 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene
    37239
    PJE
    ZINC000146379090    		 0 C9 H14 N2 O3 InChI=1S/C9H14N2O3/c10-7(
    1-2-8(12)13)5-6-3-4-11-9(
    6)14/h1-2,6-7H,3-5,10H2,(
    H,11,14)(H,12,13)/b2-1+/t
    6-,7+/m0/s1;
    DGQBDXFRBIXHDR-FJZRIBRESA-N    		 N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(O)=O; N[C
    H](C[CH]1CCNC1=O)C=CC(O)=O; C1CNC(=O)C1C
    C(C=CC(=O)O)N; C1CNC(=O)[C@@H]1C[C@@H](/
    C=C/C(=O)O)N    		 (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
    37240
    PJF
    CHEMBL5290620    		 14 C24 H22 Cl N5 O InChI=1S/C24H22ClN5O/c25-
    20-6-4-17(5-7-20)15-30-23
    (31)21-16-28(14-19-3-1-2-
    18(12-19)13-26)10-8-22(21
    )29-11-9-27-24(29)30/h1-7
    ,12H,8-11,14-16H2;
    QFVFQQBTVHHWBZ-UHFFFAOYSA-N    		 Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(c4)C#N)
    C3)N5CCN=C25)cc1; c1cc(cc(c1)C#N)CN2CCC3
    =C(C2)C(=O)N(C4=NCCN34)Cc5ccc(cc5)Cl; Cl
    c1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#N)
    c3)CC=2C1=O    		 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile
    37241
    PJG    		 0 C12 H22 N2 InChI=1S/C12H22N2/c13-1-2
    -14-12-6-9-3-10(7-12)5-11
    (4-9)8-12/h9-11,14H,1-8,1
    3H2/t9-,10+,11-,12-;
    IQMUFNISQFPZJC-CDECOKDKSA-N    		 NCCNC12CC3CC(CC(C3)C1)C2; C1C2CC3CC1CC(C
    2)(C3)NCCN; C13(CC2CC(CC(C1)C2)C3)NCCN    		 N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine
    37242
    PJH
    CHEMBL11978
    DB08840
    ZINC000000404444    		 2 C7 H8 N2 O InChI=1S/C7H8N2O/c1-8-7(1
    0)6-3-2-4-9-5-6/h2-5H,1H3
    ,(H,8,10);
    ZYVXHFWBYUDDBM-UHFFFAOYSA-N    		 CNC(=O)c1cccnc1 ~{N}-methylpyridine-3-carboxamide
    37243
    PJI    		 1 C40 H57 Cl N3 O3 InChI=1S/C40H56ClN3O3/c1-
    39(2)32-18-10-12-20-34(32
    )43(5)36(39)22-17-23-37-4
    0(3,4)33-19-11-13-21-35(3
    3)44(37)27-15-8-9-24-38(4
    5)42-26-29-47-31-30-46-28
    -16-7-6-14-25-41/h10-13,1
    7-23H,6-9,14-16,24-31H2,1
    -5H3/p+1;
    PMDIAZIQXAWRGJ-UHFFFAOYSA-O    		 CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C
    )(C)C)CCCCCC(=O)NCCOCCOCCCCCCCl)C; CN\1c
    2ccccc2C(C)(C)C\1=C\C=C\C3=[N+](CCCCCC(=
    O)NCCOCCOCCCCCCCl)c4ccccc4C3(C)C; CN1c2c
    cccc2C(C)(C)C1=CC=CC3=[N+](CCCCCC(=O)NCC
    OCCOCCCCCCCl)c4ccccc4C3(C)C; CC1(c2ccccc
    2[N+](=C1/C=C/C=C3C(c4ccccc4N3C)(C)C)CCC
    CCC(=O)NCCOCCOCCCCCCCl)C    		 ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide
    37244
    PJJ
    ZINC000098209304    		 0 C19 H23 N O3 InChI=1S/C19H23NO3/c20-17
    (12-15-9-5-2-6-10-15)18(2
    1)13-16(19(22)23)11-14-7-
    3-1-4-8-14/h1-10,16-18,21
    H,11-13,20H2,(H,22,23)/t1
    6-,17+,18+/m1/s1;
    FXTZKZFWIYSHRP-SQNIBIBYSA-N    		 c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)C(=O)O;
    O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2; N[
    C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc2cccc
    c2)C(O)=O; c1ccc(cc1)C[C@H](C[C@@H]([C@H
    ](Cc2ccccc2)N)O)C(=O)O; N[CH](Cc1ccccc1)
    [CH](O)C[CH](Cc2ccccc2)C(O)=O    		 (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
    37245
    PJK
    CHEMBL4637220    		 1 C12 H11 Cl F3 N O2 InChI=1S/C12H11ClF3NO2/c1
    3-10-2-1-8(5-9(10)12(14,1
    5)16)17-4-3-7(6-17)11(18)
    19/h1-2,5,7H,3-4,6H2,(H,1
    8,19)/t7-/m0/s1;
    XTYYFZCQCKEYKG-ZETCQYMHSA-N    		 c1cc(c(cc1N2CCC(C2)C(=O)O)C(F)(F)F)Cl; O
    C(=O)[CH]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F)F;
    OC(=O)[C@H]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F
    )F; c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(
    F)F)Cl    		 (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
    37246
    PJL    		 2 C6 H7 N O4 InChI=1S/C6H7NO4/c8-4-2-5
    (9)7-3-1-6(10)11/h2-4,8H,
    1H2,(H,10,11)/b4-2+,7-3+;
    FVWUPCWGBLBUEE-JKEDICHKSA-N    		 C(/C=N/C(=O)/C=C/O)C(=O)O; O\C=C\C(=O)N=
    CCC(O)=O; C(C=NC(=O)C=CO)C(=O)O; OC=CC(=
    O)N=CCC(O)=O    		 (3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid
    37247
    PJM
    CHEMBL4522116    		 2 C36 H23 Cl F3 N7 O2 InChI=1S/C36H23ClF3N7O2/c
    37-30-16-24(21-5-8-27(38)
    9-6-21)7-10-29(30)32(18-4
    7-12-11-41-20-47)44-34(48
    )22-1-3-23(4-2-22)35-45-4
    6-36(49-35)26-13-25(14-28
    (39)15-26)33-31(40)17-42-
    19-43-33/h1-17,19-20,32H,
    18H2,(H,44,48)/t32-/m0/s1;
    ZSDQWZVUVIKSDR-YTTGMZPUSA-N    		 Fc1ccc(cc1)c2ccc([CH](Cn3ccnc3)NC(=O)c4c
    cc(cc4)c5oc(nn5)c6cc(F)cc(c6)c7ncncc7F)c
    (Cl)c2; c1(ncncc1F)c2cc(F)cc(c2)c3oc(nn3
    )c4ccc(cc4)C(=O)NC(Cn5ccnc5)c6c(Cl)cc(cc
    6)c7ccc(F)cc7; c1cc(ccc1c2nnc(o2)c3cc(cc
    (c3)F)c4c(cncn4)F)C(=O)N[C@@H](Cn5ccnc5)
    c6ccc(cc6Cl)c7ccc(cc7)F; c1cc(ccc1c2nnc(
    o2)c3cc(cc(c3)F)c4c(cncn4)F)C(=O)NC(Cn5c
    cnc5)c6ccc(cc6Cl)c7ccc(cc7)F; Fc1ccc(cc1
    )c2ccc([C@H](Cn3ccnc3)NC(=O)c4ccc(cc4)c5
    oc(nn5)c6cc(F)cc(c6)c7ncncc7F)c(Cl)c2    		 N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
    37248
    PJN    		 1 C23 H16 N2 O6 InChI=1S/C23H16N2O6/c26-1
    8-9-5-4-8-17(18)24-20(14-
    10-12-16(13-11-14)25(30)3
    1)19(22(28)23(24)29)21(27
    )15-6-2-1-3-7-15/h1-13,20
    ,26,28H/t20-/m1/s1;
    UQZFYWKUHIJIEJ-HXUWFJFHSA-N    		 Oc1ccccc1N2[C@H](c3ccc(cc3)[N](=O)=O)C(=
    C(O)C2=O)C(=O)c4ccccc4; c1ccc(cc1)C(=O)C
    2=C(C(=O)N(C2c3ccc(cc3)N(=O)=O)c4ccccc4O
    )O; Oc1ccccc1N2[CH](c3ccc(cc3)[N](=O)=O)
    C(=C(O)C2=O)C(=O)c4ccccc4; c1ccc(cc1)C(=
    O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)N(=O)=O)c
    4ccccc4O)O    		 (2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one
    37249
    PJO
    CHEMBL232201
    DB13277
    ZINC000003875456    		 2 C17 H12 I2 O3 InChI=1S/C17H12I2O3/c1-2-
    13-15(10-5-3-4-6-14(10)22
    -13)16(20)9-7-11(18)17(21
    )12(19)8-9/h3-8,21H,2H2,1
    H3;
    CZCHIEJNWPNBDE-UHFFFAOYSA-N    		 CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I;
    CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3    		 Benziodarone;
    Amplivix;
    Dilafurane
    37250
    PJP
    ZINC000000028303    		 1 C11 H17 N O2 S InChI=1S/C11H17NO2S/c1-4-
    12(5-2)15(13,14)11-8-6-10
    (3)7-9-11/h6-9H,4-5H2,1-3
    H3;
    AOJBACHWNDMRQP-UHFFFAOYSA-N    		 CCN(CC)S(=O)(=O)c1ccc(cc1)C; CCN(CC)[S](
    =O)(=O)c1ccc(C)cc1; CCN(CC)S(c1ccc(cc1)C
    )(=O)=O    		 N,N-diethyl-4-methylbenzene-1-sulfonamide
    37251
    PJQ
    CHEMBL4466522
    DB21710    		 11 C23 H20 Cl F3 N4 O5 InChI=1S/C23H20ClF3N4O5/c
    1-29-19-18(20(33)30(22(29
    )34)10-3-11-32)31(13-14-6
    -8-15(24)9-7-14)21(28-19)
    35-16-4-2-5-17(12-16)36-2
    3(25,26)27/h2,4-9,12,32H,
    3,10-11,13H2,1H3;
    PRJHEJGMSOBHTO-UHFFFAOYSA-N    		 CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(
    Oc4cccc(OC(F)(F)F)c4)nc12; CN1c2c(n(c(n2
    )Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O
    )N(C1=O)CCCO    		 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
    37252
    PJR    		 3 C24 H40 F2 N3 O8 S InChI=1S/C24H38F2N3O8S/c1
    -13(2)9-18(21(31)28-19(22
    (32)38(34,35)36)11-15-5-8
    -27-20(15)30)29-23(33)37-
    12-16-10-17(16)14-3-6-24(
    25,26)7-4-14/h13-19,22,32
    H,3-12H2,1-2H3,(H3-2,27,2
    8,29,30,31,33,34,35,36)/q
    -1/p+2/t15-,16+,17+,18-,1
    9-,22-/m0/s1;
    ACNPODIUBZVYHB-WUOGMODZSA-P    		 CC(C)C[C@H](NC(=O)OC[C@H]1C[C@@H]1C2CCC(
    F)(F)CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C
    @@H](O)[S+](O)(O)=O; CC(C)C[CH](NC(=O)OC
    [CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[C
    H]3CCNC3=O)[CH](O)[S+](O)(O)=O; CC(C)CC(
    C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=
    O)OCC2CC2C3CCC(CC3)(F)F; CC(C)C[C@@H](C(
    =O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)[S+]
    (=O)(O)O)NC(=O)OC[C@H]2C[C@@H]2C3CCC(CC3
    )(F)F    		 [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    37253
    PJS
    ZINC000048708335    		 1 C14 H13 Cl F N3 O InChI=1S/C14H13ClFN3O/c1-
    9-17-7-6-13(18-9)14(20)19
    (2)8-10-11(15)4-3-5-12(10
    )16/h3-7H,8H2,1-2H3;
    MOTYBLMYPYOWBD-UHFFFAOYSA-N    		 Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F; CN(C
    c1c(F)cccc1Cl)C(=O)c2ccnc(C)n2; Cc1nc(cc
    n1)C(N(Cc2c(F)cccc2Cl)C)=O    		 N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide
    37254
    PJT    		 1 C20 H21 N3 O3 S InChI=1S/C20H21N3O3S/c1-1
    3-12-16-17(24)20(25)6-7-2
    3(19(20)21-18(16)27-13)15
    -4-2-14(3-5-15)22-8-10-26
    -11-9-22/h2-5,12,25H,6-11
    H2,1H3/t20-/m1/s1;
    KUIAFBSRBMWQQP-HXUWFJFHSA-N    		 Cc1sc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccc(c
    c4)N5CCOCC5; Cc1cc2c(s1)N=C3[C@](C2=O)(C
    CN3c4ccc(cc4)N5CCOCC5)O; Cc1sc2N=C3N(CC[
    C]3(O)C(=O)c2c1)c4ccc(cc4)N5CCOCC5; Cc1c
    c2c(s1)N=C3C(C2=O)(CCN3c4ccc(cc4)N5CCOCC
    5)O    		 (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one
    37255
    PJU
    CHEMBL5219830    		 1 C22 H25 Cl F2 N6 O3 InChI=1S/C22H25ClF2N6O3/c
    23-19-10-17(27-22(26)28-1
    9)20-15(11-31(29-20)21(24
    )25)9-14-3-1-2-4-18(14)34
    -8-6-30-5-7-33-13-16(30)1
    2-32/h1-4,10-11,16,21,32H
    ,5-9,12-13H2,(H2,26,27,28
    )/t16-/m1/s1;
    XVGSKZXXLKUEIO-MRXNPFEDSA-N    		 c1ccc(c(c1)Cc2cn(nc2c3cc(nc(n3)N)Cl)C(F)
    F)OCCN4CCOC[C@H]4CO; Nc1nc(Cl)cc(n1)c2nn
    (cc2Cc3ccccc3OCCN4CCOC[C@H]4CO)C(F)F; Nc
    1nc(Cl)cc(n1)c2nn(cc2Cc3ccccc3OCCN4CCOC[
    CH]4CO)C(F)F; c1ccc(c(c1)Cc2cn(nc2c3cc(n
    c(n3)N)Cl)C(F)F)OCCN4CCOCC4CO    		 [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol
    37256
    PJV
    ZINC000052815764    		 1 C10 H7 Br N2 O InChI=1S/C10H7BrN2O/c11-8
    -4-1-2-5-9(8)14-10-6-3-7-
    12-13-10/h1-7H;
    PESLFQDAIUALFG-UHFFFAOYSA-N    		 c1ccc(c(c1)Oc2cccnn2)Br; Brc1ccccc1Oc2cc
    cnn2; c1(Br)ccccc1Oc2cccnn2    		 3-(2-bromophenoxy)pyridazine
    37257
    PJW
    CHEMBL1616388    		 2 C12 H8 I InChI=1S/C12H9I/c1-3-7-11
    -9(5-1)10-6-2-4-8-12(10)1
    3-11/h1-8,13H;
    PEWVMQDYYUSPRM-UHFFFAOYSA-N    		 c1ccc2c(c1)-c3ccccc3I2; [I]1c2ccccc2c3cc
    ccc13    		 benzo[b][1]benziodole
    37258
    PJX    		 4 C20 H18 Cl N3 O InChI=1S/C20H18ClN3O/c1-2
    4-9-8-16(17-10-14(21)6-7-
    19(17)24)20(25)23-18-12-2
    2-11-13-4-2-3-5-15(13)18/
    h2-7,10-12,16H,8-9H2,1H3,
    (H,23,25)/t16-/m1/s1;
    NIZLDWOVHDTVKM-MRXNPFEDSA-N    		 Clc1ccc2c(c1)C(CCN2C)C(=O)Nc1cncc2ccccc2
    1; CN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3c
    ccc4; CN1CC[C@@H](C(=O)Nc2cncc3ccccc23)c
    4cc(Cl)ccc14; CN1CC[C@H](c2c1ccc(c2)Cl)C
    (=O)Nc3cncc4c3cccc4; CN1CC[CH](C(=O)Nc2c
    ncc3ccccc23)c4cc(Cl)ccc14    		 (4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
    37259
    PJY
    ZINC000000092203    		 1 C9 H12 N2 O S InChI=1S/C9H12N2OS/c1-11(
    2)9(12)7-5-4-6-10-8(7)13-
    3/h4-6H,1-3H3;
    KORZBTDVYBSAMM-UHFFFAOYSA-N    		 CSc1c(cccn1)C(=O)N(C)C; CSc1ncccc1C(=O)N
    (C)C; CN(C)C(=O)c1cccnc1SC    		 N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide
    37260
    PJZ
    ZINC000263620847    		 1 C30 H48 O4 InChI=1S/C30H48O4/c1-4-6-
    8-10-12-14-15-16-18-19-21
    -23-25-29(31)33-27-28(3)3
    4-30(32)26-24-22-20-17-13
    -11-9-7-5-2/h6,8,10,12,14
    -16,18-19,21,28H,4-5,7,9,
    11,13,17,20,22-27H2,1-3H3
    /b8-6+,12-10+,15-14+,18-1
    6+,21-19+/t28-/m1/s1;
    ONKSLGBBXPETKB-WGIZECGSSA-N    		 CCCCCCCCCCCC(=O)OC(C)COC(=O)CCC=CC=CC=CC
    =CC=CCC; CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/
    C=C/C=C/C=C/C=C/C=C/CC; CCCCCCCCCCCC(=O)
    O[C@H](C)COC(=O)CC\C=C\C=C\C=C\C=C\C=C\C
    C; CCCCCCCCCCCC(=O)O[CH](C)COC(=O)CCC=CC
    =CC=CC=CC=CCC; O=C(OC(C)COC(=O)CC\C=C\C=
    C\C=C\C=C\C=C\CC)CCCCCCCCCCC    		 (2R)-2-(dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-pentadeca-4,6,8,10,12-pentaenoate
    37261
    PK0
    CHEMBL2177238
    ZINC000043176168    		 1 C19 H14 F3 N3 O3 InChI=1S/C19H14F3N3O3/c1-
    18(12-4-7-14(26)8-5-12)16
    (27)25(17(28)24(18)2)13-6
    -3-11(10-23)15(9-13)19(20
    ,21)22/h3-9,26H,1-2H3/t18
    -/m1/s1;
    IHPVXUVRRPAUIQ-GOSISDBHSA-N    		 CN1C(=O)N(c2ccc(C#N)c(c2)C(F)(F)F)C(=O)[
    C]1(C)c3ccc(O)cc3; C[C@]1(C(=O)N(C(=O)N1
    C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O; F
    C(F)(F)c3cc(N2C(=O)N(C)C(c1ccc(O)cc1)(C2
    =O)C)ccc3C#N; CC1(C(=O)N(C(=O)N1C)c2ccc(
    c(c2)C(F)(F)F)C#N)c3ccc(cc3)O; CN1C(=O)N
    (c2ccc(C#N)c(c2)C(F)(F)F)C(=O)[C@@]1(C)c
    3ccc(O)cc3    		 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
    37262
    PK1
    CHEMBL2177230
    ZINC000095575041    		 1 C17 H14 Cl2 N2 O2 S InChI=1S/C17H14Cl2N2O2S/c
    1-17(10-3-6-12(22)7-4-10)
    15(23)21(16(24)20(17)2)11
    -5-8-13(18)14(19)9-11/h3-
    9,22H,1-2H3/t17-/m1/s1;
    YPONBLYNQFHCLA-QGZVFWFLSA-N    		 CN1C(=S)N(C(=O)[C@@]1(C)c2ccc(O)cc2)c3cc
    c(Cl)c(Cl)c3; CN1C(=S)N(C(=O)[C]1(C)c2cc
    c(O)cc2)c3ccc(Cl)c(Cl)c3; Clc3ccc(N2C(=S
    )N(C)C(c1ccc(O)cc1)(C2=O)C)cc3Cl; CC1(C(
    =O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3
    )O; C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl
    )Cl)c3ccc(cc3)O    		 (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one
    37263
    PK2
    ZINC000039195957    		 2 C19 H27 N7 O InChI=1S/C19H27N7O/c1-21-
    19-23-14-9-13-15(24-18(20
    )26-17(13)27)12(16(14)25-
    19)7-8-22-10-11-5-3-2-4-6
    -11/h9,11,22H,2-8,10H2,1H
    3,(H2,21,23,25)(H3,20,24,
    26,27);
    ZKRVOXSNLYAMLM-UHFFFAOYSA-N    		 O=C1c3c(N=C(N)N1)c(c2nc(nc2c3)NC)CCNCC4C
    CCCC4; CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC
    4)N=C(NC3=O)N; CNc1[nH]c2cc3C(=O)NC(=Nc3
    c(CCNCC4CCCCC4)c2n1)N    		 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
    37264
    PK3
    ZINC000039196469    		 1 C12 H14 N6 O2 InChI=1S/C12H14N6O2/c1-14
    -12-15-7-4-6-8(16-11(13)1
    8-10(6)20)5(2-3-19)9(7)17
    -12/h4,19H,2-3H2,1H3,(H2,
    14,15,17)(H3,13,16,18,20);
    VKUWLKQBGXDONE-UHFFFAOYSA-N    		 O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCO)N; CNc1
    [nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N; CNc1[
    nH]c2c(CCO)c3N=C(N)NC(=O)c3cc2n1    		 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
    37265
    PK4
    ZINC000273215815    		 8 C8 H10 F N O2 S InChI=1S/C8H10FNO2S/c1-6-
    4-3-5-7(8(6)9)13(11,12)10
    -2/h3-5,10H,1-2H3;
    PXJRMCHXJXWNJG-UHFFFAOYSA-N    		 Cc1cccc(c1F)S(=O)(=O)NC; CNS(c1c(c(C)ccc
    1)F)(=O)=O; CN[S](=O)(=O)c1cccc(C)c1F    		 2-fluoro-N,3-dimethylbenzene-1-sulfonamide
    37266
    PK5    		 2 C27 H37 Cl N6 O3 InChI=1S/C27H37ClN6O3/c1-
    3-22-24(34-16-19(28)6-9-2
    3(34)30-22)26(36)29-14-18
    -4-7-20(8-5-18)32-12-10-2
    1(11-13-32)33-15-17(2)25(
    35)31-27(33)37/h4-5,7-8,1
    5,19,21-24,30H,3,6,9-14,1
    6H2,1-2H3,(H,29,36)(H,31,
    35,37);
    ZMLCAZKJSUZKPA-UHFFFAOYSA-N    		 CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4
    CCC(CC4)N5C=C(C(=O)NC5=O)C; CCC1NC2CCC(C
    l)CN2C1C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(
    C)C(=O)NC5=O    		 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide
    37267
    PK6
    ZINC000000249469    		 4 C5 H7 N O2 S2 InChI=1S/C5H7NO2S2/c1-6-1
    0(7,8)5-3-2-4-9-5/h2-4,6H
    ,1H3;
    CTIGHRXLNNYNGU-UHFFFAOYSA-N    		 CNS(=O)(=O)c1cccs1; CN[S](=O)(=O)c1sccc1 N-methyl-2-thiophenesulfonamide
    37268
    PK7
    ZINC000000167020    		 1 C7 H7 Cl F N InChI=1S/C7H7ClFN/c8-6-3-
    5(4-10)1-2-7(6)9/h1-3H,4,
    10H2;
    LQAUXDMGRBWDIU-UHFFFAOYSA-N    		 NCc1ccc(F)c(Cl)c1; C(c1ccc(F)c(c1)Cl)N;
    c1cc(c(cc1CN)Cl)F    		 1-(3-chloro-4-fluorophenyl)methanamine
    37269
    PK8    		 1 C5 H4 N O S Zn InChI=1S/C5H5NOS.Zn/c7-6-
    4-2-1-3-5(6)8;/h1-4,8H;/q
    ;+2/p-1;
    PURMLSMXFJKREH-UHFFFAOYSA-M    		 O1[Zn]Sc2cccc[n+]12; c1cc[n+]2c(c1)S[Zn]
    O2    		 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene
    37270
    PK9
    CHEMBL3814075
    ZINC000121986305    		 2 C17 H27 N3 O3 InChI=1S/C17H27N3O3/c1-17
    (2,3)23-16(22)19-11-6-4-5
    -9-15(21)20-13-14-8-7-10-
    18-12-14/h7-8,10,12H,4-6,
    9,11,13H2,1-3H3,(H,19,22)
    (H,20,21);
    LDXDSDSWWMTDPA-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1; O=C
    (OC(C)(C)C)NCCCCCC(=O)NCc1cccnc1    		 tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate
    37271
    PKA
    CHEMBL416715
    ZINC000003870481    		 4 C21 H21 Cl N2 O InChI=1S/C21H21ClN2O/c1-4
    -14(2)24(3)21(25)19-13-15
    -9-5-6-10-16(15)20(23-19)
    17-11-7-8-12-18(17)22/h5-
    14H,4H2,1-3H3/t14-/m1/s1;
    RAVIZVQZGXBOQO-CQSZACIVSA-N    		 Clc1ccccc1c3nc(cc2c3cccc2)C(=O)N(C(C)CC)
    C; CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c
    3ccccc3Cl; CCC(C)N(C)C(=O)c1cc2ccccc2c(n
    1)c3ccccc3Cl; CC[CH](C)N(C)C(=O)c1cc2ccc
    cc2c(n1)c3ccccc3Cl    		 N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
    37272
    PKB
    CHEMBL188426
    ZINC000013582631    		 1 C20 H17 F3 N6 O2 InChI=1S/C20H17F3N6O2/c1-
    3-31-18-5-4-17-15(11-25-2
    9(17)28-18)16-6-7-24-19(2
    7-16)26-13-8-12(20(21,22)
    23)9-14(10-13)30-2/h4-11H
    ,3H2,1-2H3,(H,24,26,27);
    FXUBIYKZSFWJQZ-UHFFFAOYSA-N    		 CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)
    OC)C(F)(F)F; CCOc1ccc2n(ncc2c3ccnc(Nc4cc
    (OC)cc(c4)C(F)(F)F)n3)n1    		 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
    37273
    PKC
    ZINC000038292779    		 0 C10 H16 N2 O InChI=1S/C10H16N2O/c11-7-
    10(13)9(12)6-8-4-2-1-3-5-
    8/h1-5,9-10,13H,6-7,11-12
    H2/t9-,10+/m0/s1;
    GBGREWJCXCRWFB-VHSXEESVSA-N    		 NC[C@@H](O)[C@@H](N)Cc1ccccc1; c1ccc(cc1
    )CC(C(CN)O)N; c1ccc(cc1)C[C@@H]([C@@H](C
    N)O)N; NC[CH](O)[CH](N)Cc1ccccc1; OC(C(N
    )Cc1ccccc1)CN    		 (2R,3S)-1,3-diamino-4-phenylbutan-2-ol
    37274
    PKD
    ZINC000005894238    		 1 C11 H10 Cl N O3 S InChI=1S/C11H10ClNO3S/c12
    -8-3-1-7(2-4-8)10(14)13-6
    -17-5-9(13)11(15)16/h1-4,
    9H,5-6H2,(H,15,16)/t9-/m1
    /s1;
    SUAAPVQQVPKSHG-SECBINFHSA-N    		 c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl; OC(
    =O)[CH]1CSCN1C(=O)c2ccc(Cl)cc2; C(C1CSCN
    1C(c2ccc(cc2)Cl)=O)(O)=O; c1cc(ccc1C(=O)
    N2CSCC2C(=O)O)Cl; OC(=O)[C@H]1CSCN1C(=O)
    c2ccc(Cl)cc2    		 (4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
    37275
    PKE
    CHEMBL5722987    		 2 C20 H21 N7 O3 S InChI=1S/C20H21N7O3S/c1-2
    7(31(2,29)30)19-13(4-3-8-
    21-19)12-23-17-7-9-22-20(
    26-17)24-15-5-6-16-14(10-
    15)11-18(28)25-16/h3-10H,
    11-12H2,1-2H3,(H,25,28)(H
    2,22,23,24,26);
    BTIZXJFJJCRTBP-UHFFFAOYSA-N    		 CN(c1c(cccn1)CNc2ccnc(n2)Nc3ccc4c(c3)CC(
    =O)N4)S(=O)(=O)C; CN(c1ncccc1CNc2ccnc(Nc
    3ccc4NC(=O)Cc4c3)n2)[S](C)(=O)=O    		 ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
    37276
    PKF
    DB01989    		 1 C36 H52 N6 O9 P InChI=1S/C36H51N6O9P/c1-2
    5(34(45)41-21-12-19-30(41
    )35(46)50-2)40-52(48,49)3
    1(23-26-13-5-3-6-14-26)39
    -32(43)28(17-9-10-20-37)3
    8-33(44)29-18-11-22-42(29
    )36(47)51-24-27-15-7-4-8-
    16-27/h3-8,13-16,25,28-31
    H,9-12,17-24,37H2,1-2H3,(
    H,38,44)(H,39,43)(H2,40,4
    8,49)/p+1/t25-,28-,29-,30
    -,31+/m0/s1;
    JVJRALIDWYDPLY-HEPRJOMSSA-O    		 COC(=O)[CH]1CCCN1C(=O)[CH](C)N[P](O)(=O)
    [CH](Cc2ccccc2)NC(=O)[CH](CCCC[NH3+])NC(
    =O)[CH]3CCCN3C(=O)OCc4ccccc4; C[C@@H](C(
    =O)N1CCC[C@H]1C(=O)OC)N[P@@](=O)([C@H](C
    c2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C
    @@H]3CCCN3C(=O)OCc4ccccc4)O; COC(=O)[C@@
    H]1CCCN1C(=O)[C@H](C)N[P@@](O)(=O)[C@H](
    Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[
    C@@H]3CCCN3C(=O)OCc4ccccc4; CC(C(=O)N1CC
    CC1C(=O)OC)NP(=O)(C(Cc2ccccc2)NC(=O)C(CC
    CC[NH3+])NC(=O)C3CCCN3C(=O)OCc4ccccc4)O;
    O=C(NC(C(=O)NC(Cc1ccccc1)P(=O)(O)NC(C(=
    O)N2C(C(=O)OC)CCC2)C)CCCC[NH3+])C4N(C(=O
    )OCc3ccccc3)CCC4    		 CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-PRO-OME
    37277
    PKG
    CHEMBL4642419    		 1 C28 H28 N4 O3 InChI=1S/C28H28N4O3/c1-3-
    32-25-12-11-23(18(2)27(25
    )29-30-32)24(16-26(33)34)
    21-10-9-19-13-14-31(17-22
    (19)15-21)28(35)20-7-5-4-
    6-8-20/h4-12,15,24H,3,13-
    14,16-17H2,1-2H3,(H,33,34
    )/t24-/m0/s1;
    AUCYBCJRRYAJGN-DEOSSOPVSA-N    		 c12CCN(Cc1cc(cc2)C(c4c(C)c3nnn(c3cc4)CC)
    CC(O)=O)C(=O)c5ccccc5; CCn1c2ccc(c(c2nn1
    )C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O
    )c5ccccc5; CCn1c2ccc(c(c2nn1)C)C(CC(=O)O
    )c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5; CCn1nn
    c2c(C)c(ccc12)[CH](CC(O)=O)c3ccc4CCN(Cc4
    c3)C(=O)c5ccccc5; CCn1nnc2c(C)c(ccc12)[C
    @@H](CC(O)=O)c3ccc4CCN(Cc4c3)C(=O)c5cccc
    c5    		 (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid
    37278
    PKH    		 1 C21 H23 Cl N5 O S InChI=1S/C21H22ClN5OS/c22
    -15-7-12(18-10-24-9-17(25
    -18)11-1-2-11)3-5-14(15)2
    0(28)26-16-8-13-4-6-19(16
    )27(13)21(23)29/h3,5,7,9-
    11,13,16,19H,1-2,4,6,8H2,
    (H3,23,26,28,29)/p+1/t13-
    ,16+,19+/m0/s1;
    KZSNYGBGGXEVJT-URKNILKWSA-O    		 NC(S)=[N+]1[CH]2CC[CH]1[CH](C2)NC(=O)c3c
    cc(cc3Cl)c4cncc(n4)C5CC5; c1cc(c(cc1c2cn
    cc(n2)C3CC3)Cl)C(=O)NC4CC5CCC4[N+]5=C(N)
    S; N\C(S)=[N+]1\[C@H]2CC[C@@H]1[C@@H](C2
    )NC(=O)c3ccc(cc3Cl)c4cncc(n4)C5CC5; N/C(
    S)=[N+]1/C2CC(NC(=O)c3ccc(cc3Cl)c3cncc(n
    3)C3CC3)C1CC2; c1cc(c(cc1c2cncc(n2)C3CC3
    )Cl)C(=O)N[C@@H]4C[C@@H]\5CC[C@H]4/[N+]5
    =C(\N)/S    		 ~{N}-[(1~{R},2~{R},4~{S},7~{E})-7-[azanyl(sulfanyl)methylidene]-7$l^{4}-azabicyclo[2.2.1]heptan-2-yl]-2-chloranyl-4-(6-cyclopropylpyrazin-2-yl)benzamide
    37279
    PKJ
    CHEMBL3342402
    ZINC000000801901    		 2 C20 H16 N4 O3 S2 InChI=1S/C20H16N4O3S2/c1-
    12-2-4-13(5-3-12)15-9-28-
    19-22-23-20(24(15)19)29-1
    0-18(25)21-14-6-7-16-17(8
    -14)27-11-26-16/h2-9H,10-
    11H2,1H3,(H,21,25);
    XYXNYQAJSYUYNZ-UHFFFAOYSA-N    		 Cc1ccc(cc1)c2csc3nnc(SCC(=O)Nc4ccc5OCOc5
    c4)n23; Cc1ccc(cc1)c2csc3n2c(nn3)SCC(=O)
    Nc4ccc5c(c4)OCO5; O=C(Nc2ccc1OCOc1c2)CSc
    3nnc4scc(n34)c5ccc(cc5)C    		 N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
    37280
    PKK
    CHEMBL5422596    		 2 C17 H12 I2 O4 InChI=1S/C17H12I2O4/c1-2-
    13-15(10-4-3-9(20)7-14(10
    )23-13)16(21)8-5-11(18)17
    (22)12(19)6-8/h3-7,20,22H
    ,2H2,1H3;
    YOSYHCQGAMQBMM-UHFFFAOYSA-N    		 CCc1oc2cc(O)ccc2c1C(=O)c3cc(I)c(O)c(I)c3
    ; CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)I
    )O)I    		 [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
    37281
    PKL
    CHEMBL3342393
    ZINC000098174436    		 2 C21 H18 Cl N3 O S InChI=1S/C21H18ClN3OS/c1-
    14-5-7-16(8-6-14)19-13-27
    -21-24-12-18(25(19)21)20(
    26)23-10-9-15-3-2-4-17(22
    )11-15/h2-8,11-13H,9-10H2
    ,1H3,(H,23,26);
    XLEXBEMTJAGGPY-UHFFFAOYSA-N    		 Clc1cccc(c1)CCNC(=O)c3cnc4scc(c2ccc(cc2)
    C)n34; Cc1ccc(cc1)c2csc3n2c(cn3)C(=O)NCC
    c4cccc(c4)Cl; Cc1ccc(cc1)c2csc3ncc(n23)C
    (=O)NCCc4cccc(Cl)c4    		 N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
    37282
    PKM    		 11 C13 H21 N O10 InChI=1S/C13H21NO10/c1-5(
    16)14-9-8(23-6(2)17)3-13(
    22,12(20)21)24-11(9)10(19
    )7(18)4-15/h7-11,15,18-19
    ,22H,3-4H2,1-2H3,(H,14,16
    )(H,20,21)/t7-,8+,9-,10-,
    11-,13-/m1/s1;
    LVBIMVQYUKOENY-CYBLFPARSA-N    		 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)OC
    (=O)C; CC(=O)N[CH]1[CH](C[C](O)(O[CH]1[C
    H](O)[CH](O)CO)C(O)=O)OC(C)=O; C(=O)(O)C
    1(O)CC(OC(=O)C)C(C(O1)C(C(O)CO)O)NC(C)=O
    ; CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@
    H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C; CC(=
    O)N[C@@H]1[C@H](C[C@@](O)(O[C@H]1[C@H](O
    )[C@H](O)CO)C(O)=O)OC(C)=O    		 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
    4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
    4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosonic acid;
    4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid;
    4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-galacto-non-2-ulosonic acid
    37283
    PKN
    CHEMBL79155
    ZINC000002570110    		 5 C5 H5 N O2 InChI=1S/C5H5NO2/c7-5(8)4
    -1-2-6-3-4/h1-3,6H,(H,7,8
    );
    DOYOPBSXEIZLRE-UHFFFAOYSA-N    		 c1c[nH]cc1C(=O)O; OC(=O)c1c[nH]cc1; O=C(
    O)c1cc[NH]c1    		 1H-pyrrole-3-carboxylic acid
    37284
    PKP    		 16 C21 H18 Cl N O3 S InChI=1S/C21H18ClNO3S/c1-
    21(2)10-16(24)19(17(25)11
    -21)12-3-6-14(7-4-12)26-2
    0-23-15-8-5-13(22)9-18(15
    )27-20/h3-9,24H,10-11H2,1
    -2H3;
    POUJNUFBEAPAJW-UHFFFAOYSA-N    		 C1C(C)(C)CC(=C(C1=O)c2ccc(cc2)Oc3nc4c(s3
    )cc(cc4)Cl)O; CC1(CC(=C(C(=O)C1)c2ccc(cc
    2)Oc3nc4ccc(cc4s3)Cl)O)C; CC1(C)CC(=C(C(
    =O)C1)c2ccc(Oc3sc4cc(Cl)ccc4n3)cc2)O    		 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one
    37285
    PKQ
    CHEMBL1767079
    ZINC000038518209    		 2 C17 H12 Br2 O4 InChI=1S/C17H12Br2O4/c1-2
    -13-15(10-4-3-9(20)7-14(1
    0)23-13)16(21)8-5-11(18)1
    7(22)12(19)6-8/h3-7,20,22
    H,2H2,1H3;
    FEXBXMFVRKZOOZ-UHFFFAOYSA-N    		 CCc1oc2cc(O)ccc2c1C(=O)c3cc(Br)c(O)c(Br)
    c3; CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3
    )Br)O)Br    		 [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
    37286
    PKR    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-7-4-
    2-3-5(7)6(8)9/h5H,2-4H2,1
    H3,(H,8,9)/t5-/m0/s1;
    CWLQUGTUXBXTLF-YFKPBYRVSA-N    		 CN1CCCC1C(=O)O; CN1CCC[C@H]1C(O)=O; O=C(
    O)C1N(C)CCC1; CN1CCC[CH]1C(O)=O; C[N@@]1
    CCC[C@H]1C(=O)O    		 (2S)-1-methylpyrrolidine-2-carbaldehyde
    37287
    PKS
    ZINC000014655970    		 6 C24 H35 N O3 InChI=1S/C24H35NO3/c1-8-1
    8(4)24(27)19(5)14-17(3)11
    -9-10-16(2)12-13-21-20(6)
    22(26)15-23(25-21)28-7/h8
    -9,11-12,14-15,19,24,27H,
    10,13H2,1-7H3,(H,25,26)/b
    11-9+,16-12+,17-14+,18-8+
    /t19-,24+/m1/s1;
    RESCEXRHBPSAAM-HWMDAMIQSA-N    		 CC(C(O)C(C)=[C@H]C)\C=C(\C=C\CC(=[C@H]Cc
    1nc(cc(O)c1C)OC)C)C; C/C=C(\C)/[C@@H]([C
    @H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(cc(n1)O
    C)O)C)/C)O; COc1cc(O)c(C)c(CC=C(C)CC=CC(
    C)=C[CH](C)[CH](O)C(C)=CC)n1; COc1cc(O)c
    (C)c(C/C=C(C)/C/C=C/C(C)=C/[C@@H](C)[C@@
    H](O)/C(C)=C/C)n1; CC=C(C)C(C(C)C=C(C)C=
    CCC(=CCc1c(c(cc(n1)OC)O)C)C)O    		 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol
    37288
    PKT
    CHEMBL3814877
    ZINC000263620672    		 1 C25 H32 N4 O3 S InChI=1S/C25H32N4O3S/c1-2
    5(2,3)32-24(31)29-20(13-1
    9-16-27-22-9-5-4-8-21(19)
    22)17-33-12-10-23(30)28-1
    5-18-7-6-11-26-14-18/h4-9
    ,11,14,16,20,27H,10,12-13
    ,15,17H2,1-3H3,(H,28,30)(
    H,29,31)/t20-/m0/s1;
    KSORMZFPXQKUAB-FQEVSTJZSA-N    		 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)
    CSCCC(=O)NCc3cccnc3; O=C(OC(C)(C)C)NC(CS
    CCC(=O)NCc1cccnc1)Cc3c2ccccc2nc3; CC(C)(
    C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSCCC(=O)NC
    c3cccnc3; CC(C)(C)OC(=O)N[C@H](CSCCC(=O)
    NCc1cccnc1)Cc2c[nH]c3ccccc23; CC(C)(C)OC
    (=O)N[CH](CSCCC(=O)NCc1cccnc1)Cc2c[nH]c3
    ccccc23    		 tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
    37289
    PKU
    CHEMBL4077137
    ZINC000004038467    		 2 C6 H7 Br N2 O InChI=1S/C6H7BrN2O/c1-8-6
    (10)5-2-4(7)3-9-5/h2-3,9H
    ,1H3,(H,8,10);
    HQGRBJIXXLIGLE-UHFFFAOYSA-N    		 CNC(=O)c1[nH]cc(Br)c1; CNC(=O)c1cc(c[nH]
    1)Br    		 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide
    37290
    PKV    		 4 C11 H16 B N4 O7 P S InChI=1S/C11H16BN4O7PS/c1
    -9-2-4-11(5-3-9)25(21,22)
    13-6-10-7-16(15-14-10)8-1
    2(17)23-24(18,19)20/h2-5,
    7,13,17H,6,8H2,1H3,(H2,18
    ,19,20);
    YPLPGLUGELKLDN-UHFFFAOYSA-N    		 B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP
    (=O)(O)O; Cc1ccc(cc1)[S](=O)(=O)NCc2cn(C
    B(O)O[P](O)(O)=O)nn2    		 [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
    37291
    PKW    		 1 C17 H15 Cl N4 O2 InChI=1S/C17H15ClN4O2/c1-
    22-9-20-13-7-19-8-14(16(1
    3)22)21-17(23)11-4-5-24-1
    5-3-2-10(18)6-12(11)15/h2
    -3,6-9,11H,4-5H2,1H3,(H,2
    1,23)/t11-/m1/s1;
    BKYVVDKZFPPWFC-LLVKDONJSA-N    		 Cn1cnc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12
    ; Cn1cnc2c1c(cnc2)NC(=O)C3CCOc4c3cc(cc4)
    Cl; Cn1cnc2c1c(cnc2)NC(=O)[C@@H]3CCOc4c3
    cc(cc4)Cl; Cn1cnc2cncc(NC(=O)[CH]3CCOc4c
    cc(Cl)cc34)c12; Cn1cnc2cncc(NC(=O)[C@@H]
    3CCOc4ccc(Cl)cc34)c12    		 (4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    37292
    PKX    		 2 C32 H34 N6 O4 InChI=1S/C32H34N6O4/c1-19
    -13-22(17-33)14-20(2)29(1
    9)42-31-25-15-27(40-3)28(
    41-4)16-26(25)36-32(37-31
    )35-24-9-11-38(12-10-24)1
    8-21-5-7-23(8-6-21)30(34)
    39/h5-8,13-16,24H,9-12,18
    H2,1-4H3,(H2,34,39)(H,35,
    36,37);
    AYMBEDDCWNANIW-UHFFFAOYSA-N    		 Cc1cc(cc(c1Oc2c3cc(c(cc3nc(n2)NC4CCN(CC4
    )Cc5ccc(cc5)C(=O)N)OC)OC)C)C#N; Cc1cc(C#
    N)cc(C)c1Oc1nc(nc2cc(OC)c(OC)cc21)NC1CCN
    (Cc2ccc(cc2)C(N)=O)CC1; COc1cc2nc(NC3CCN
    (CC3)Cc4ccc(cc4)C(N)=O)nc(Oc5c(C)cc(cc5C
    )C#N)c2cc1OC    		 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dimethoxyquinazolin-2-yl]amino}piperidin-1-yl)methyl]benzamide
    37293
    PKY    		 4 C10 H12 B N4 O6 P InChI=1S/C10H12BN4O6P/c12
    -10(16)8-3-1-2-7(4-8)9-5-
    15(14-13-9)6-11(17)21-22(
    18,19)20/h1-5,17H,6H2,(H2
    ,12,16)(H2,18,19,20);
    FKHVACRDBKDASW-UHFFFAOYSA-N    		 NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)n
    n2; B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=
    O)(O)O    		 [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
    37294
    PKZ    		 41 C37 H66 N7 O17 P3 S InChI=1S/C37H66N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-28(46)65-21-
    20-39-27(45)18-19-40-35(4
    9)32(48)37(2,3)23-58-64(5
    5,56)61-63(53,54)57-22-26
    -31(60-62(50,51)52)30(47)
    36(59-26)44-25-43-29-33(3
    8)41-24-42-34(29)44/h24-2
    6,30-32,36,47-48H,4-23H2,
    1-3H3,(H,39,45)(H,40,49)(
    H,53,54)(H,55,56)(H2,38,4
    1,42)(H2,50,51,52)/t26-,3
    0-,31-,32+,36-/m1/s1;
    MNBKLUUYKPBKDU-BBECNAHFSA-N    		 CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C
    (C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCCCCCCC
    CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)
    COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H](
    [C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O;
    CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C
    H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH
    ]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c
    (N)ncnc23; CCCCCCCCCCCCCCCC(=O)SCCNC(=O)
    CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](
    O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P]
    (O)(O)=O)n2cnc3c(N)ncnc23; C(CC(SCCNC(CC
    NC(C(C(C)(COP(OP(OCC3C(C(C(n2c1ncnc(c1nc
    2)N)O3)O)OP(O)(O)=O)(=O)O)(O)=O)C)O)=O)=
    O)=O)CCCCCCCCCCCCC    		 Palmitoyl-CoA
    37295
    PL0
    CHEMBL14047
    ZINC000004276940    		 4 C7 H9 N3 InChI=1S/C7H9N3/c8-7(9)10
    -6-4-2-1-3-5-6/h1-5H,(H4,
    8,9,10);
    QRJZGVVKGFIGLI-UHFFFAOYSA-N    		 NC(=N)Nc1ccccc1; [N@H]=C(Nc1ccccc1)N; [H
    ]N=C(N)Nc1ccccc1; [H]/N=C(/N)\Nc1ccccc1    		 1-phenylguanidine
    37296
    PL1    		 0 C48 H68 Co N17 O12 S2 InChI=1S/C48H67N17O10S2.C
    o.H2O2/c1-22-35(62-42(65-
    40(22)51)29(16-33(50)67)5
    7-17-28(49)41(52)70)46(74
    )64-37(39(69)30-18-53-21-
    58-30)47(75)59-25(4)38(68
    )23(2)43(71)63-36(26(5)66
    )45(73)56-15-12-34-60-32(
    20-76-34)48-61-31(19-77-4
    8)44(72)55-14-9-13-54-24(
    3)27-10-7-6-8-11-27;;1-2/
    h6-8,10-11,18-21,23-26,28
    -29,36-39,54,57,66,68-69H
    ,9,12-17,49H2,1-5H3,(H2,5
    0,67)(H2,52,70)(H,53,58)(
    H,55,72)(H,56,73)(H,59,75
    )(H,63,71)(H,64,74)(H2,51
    ,62,65);;1-2H/q;+2;/p-1/t
    23-,24-,25+,26+,28-,29-,3
    6-,37-,38-,39-;;/m0../s1;
    ZRTJCPBCZBKABC-KKVQSTLKSA-M    		 C[CH](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)
    NC(=O)[CH](NC(=O)c1c(C)c(N)nc([CH](CC(N)
    =O)NC[CH](N)C(N)=O)[n+]1[Co]OO)[CH](O)c2
    c[nH]cn2)C(=O)NCCc3scc(n3)c4scc(n4)C(=O)
    NCCCN[CH](C)c5ccccc5; O=C(N)C(N)CNC(c1nc
    (N)c(c([n+]1[Co]OO)C(=O)NC(C(=O)NC(C)C(O
    )C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NC
    CCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)
    C)CC(=O)N; Cc1c([n+](c(nc1N)[C@H](CC(=O)
    N)NC[C@@H](C(=O)N)N)[Co]OO)C(=O)N[C@@H](
    [C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([
    C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc
    3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5cc
    ccc5)O; Cc1c([n+](c(nc1N)C(CC(=O)N)NCC(C
    (=O)N)N)[Co]OO)C(=O)NC(C(c2c[nH]cn2)O)C(
    =O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc3nc
    (cs3)c4nc(cs4)C(=O)NCCCNC(C)c5ccccc5)O;
    C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[
    C@@H](C)NC(=O)[C@@H](NC(=O)c1c(C)c(N)nc(
    [C@H](CC(N)=O)NC[C@H](N)C(N)=O)[n+]1[Co]
    OO)[C@@H](O)c2c[nH]cn2)C(=O)NCCc3scc(n3)
    c4scc(n4)C(=O)NCCCN[C@@H](C)c5ccccc5    		 COBALT (III)-DEGLYCOPEPLEOMYCIN
    37297
    PL2
    ZINC000016052261    		 14 C13 H24 N5 O5 P InChI=1S/C13H24N5O5P/c1-9
    -12(19)11(7-16-4-2-3-5-17
    -13(14)15)10(6-18-9)8-23-
    24(20,21)22/h6,16,19H,2-5
    ,7-8H2,1H3,(H4,14,15,17)(
    H2,20,21,22);
    SIKJBFNFPRPKQR-UHFFFAOYSA-N    		 [H]/N=C(/N)\NCCCCNCc1c(cnc(c1O)C)COP(=O)
    (O)O; Cc1ncc(CO[P](O)(O)=O)c(CNCCCCNC(N)
    =N)c1O; [H]N=C(N)NCCCCNCc1c(cnc(c1O)C)CO
    P(=O)(O)O; O=P(O)(O)OCc1cnc(c(O)c1CNCCCC
    NC(=[N@H])N)C    		 (4-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
    37298
    PL3
    CHEMBL706
    DB09494
    ZINC000008214519    		 15 C16 H34 O InChI=1S/C16H34O/c1-2-3-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16-17/h17H,2-16H2,1H3;
    BXWNKGSJHAJOGX-UHFFFAOYSA-N    		 OCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCO HEXADECAN-1-OL
    37299
    PL4
    ZINC000058660314    		 4 C15 H24 N3 O9 P InChI=1S/C15H24N3O9P/c1-8
    -13(19)10(9(5-17-8)7-27-2
    8(24,25)26)6-18-12(15(22)
    23)4-2-3-11(16)14(20)21/h
    5,11-12,18-19H,2-4,6-7,16
    H2,1H3,(H,20,21)(H,22,23)
    (H2,24,25,26)/t11-,12-/m0
    /s1;
    AEPLLCAFHXWECU-RYUDHWBXSA-N    		 O=C(O)C(N)CCCC(C(=O)O)NCc1c(cnc(c1O)C)CO
    P(=O)(O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C
    @@H](CCC[C@@H](C(=O)O)N)C(=O)O)O; Cc1c(c
    (c(cn1)COP(=O)(O)O)CNC(CCCC(C(=O)O)N)C(=
    O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](C
    CC[C@H](N)C(O)=O)C(O)=O)c1O; Cc1ncc(CO[P
    ](O)(O)=O)c(CN[CH](CCC[CH](N)C(O)=O)C(O)
    =O)c1O    		 (2S,6S)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid
    37300
    PL5
    ZINC000058650202    		 2 C15 H22 N3 O9 P InChI=1S/C15H22N3O9P/c1-8
    -13(19)10(9(5-17-8)7-27-2
    8(24,25)26)6-18-12(15(22)
    23)4-2-3-11(16)14(20)21/h
    5-6,11-12,19H,2-4,7,16H2,
    1H3,(H,20,21)(H,22,23)(H2
    ,24,25,26)/b18-6+/t11-,12
    -/m0/s1;
    VHNMKXLQZMEZSG-NTQSYZAISA-N    		 O=C(O)C(N)CCCC(/N=C/c1c(cnc(c1O)C)COP(=O
    )(O)O)C(=O)O; Cc1c(c(c(cn1)COP(=O)(O)O)C
    =NC(CCCC(C(=O)O)N)C(=O)O)O; Cc1ncc(CO[P]
    (O)(O)=O)c(C=N[CH](CCC[CH](N)C(O)=O)C(O)
    =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C
    @@H](CCC[C@@H](C(=O)O)N)C(=O)O)O; Cc1ncc
    (CO[P](O)(O)=O)c(C=N[C@@H](CCC[C@H](N)C(
    O)=O)C(O)=O)c1O    		 (2S,6S)-2-amino-6-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid
    37301
    PL6
    ZINC000058651782    		 17 C13 H17 N2 O9 P InChI=1S/C13H17N2O9P/c1-7
    -12(18)9(8(4-14-7)6-24-25
    (21,22)23)5-15-10(13(19)2
    0)2-3-11(16)17/h4-5,10,18
    H,2-3,6H2,1H3,(H,16,17)(H
    ,19,20)(H2,21,22,23)/b15-
    5+/t10-/m0/s1;
    ZZRWFCMLYWHYGX-XSFFOXFNSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CCC(O)=
    O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C
    =NC(CCC(=O)O)C(=O)O)O; Cc1c(c(c(cn1)COP(
    =O)(O)O)\C=N\[C@@H](CCC(=O)O)C(=O)O)O; O
    =C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CC
    C(=O)O; Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C
    CC(O)=O)C(O)=O)c1O    		 (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid
    37302
    PL7
    DB08401
    ZINC000053683126    		 1 C16 H18 N2 O9 InChI=1S/C16H18N2O9/c19-1
    3(9-26-10-4-2-1-3-5-10)17
    -12(16(24)25)8-27-18-11(1
    5(22)23)6-7-14(20)21/h1-5
    ,12H,6-9H2,(H,17,19)(H,20
    ,21)(H,22,23)(H,24,25)/b1
    8-11+/t12-/m0/s1;
    LDNKNKRRFZRLIG-HWQJWEFDSA-N    		 OC(=O)CC\C(=N/OC[C@H](NC(=O)COc1ccccc1)C
    (O)=O)C(O)=O; c1ccc(cc1)OCC(=O)NC(CON=C(
    CCC(=O)O)C(=O)O)C(=O)O; c1ccc(cc1)OCC(=O
    )N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O
    ; OC(=O)CCC(=NOC[CH](NC(=O)COc1ccccc1)C(
    O)=O)C(O)=O; O=C(O)CCC(=N\OCC(C(=O)O)NC(
    =O)COc1ccccc1)/C(=O)O    		 (2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID;
    PHENYLACETYL LACTIVICIN
    37303
    PL8
    ZINC000098209305    		 4 C16 H22 N3 O7 P InChI=1S/C16H22N3O7P/c1-1
    0-15(21)13(11(7-17-10)9-2
    6-27(23,24)25)8-18-14-5-4
    -12(3-2-6-20)19-16(14)22/
    h4-5,7,18,20-21H,2-3,6,8-
    9H2,1H3,(H,19,22)(H2,23,2
    4,25);
    DNUFYYJENFLUSM-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O
    )CCCO)O; Cc1ncc(CO[P](O)(O)=O)c(CNC2=CC=
    C(CCCO)NC2=O)c1O; O=C2C(NCc1c(cnc(c1O)C)
    COP(=O)(O)O)=CC=C(N2)CCCO    		 [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
    37304
    PL9    		 0 C53 H80 O2 InChI=1S/C53H80O2/c1-40(2
    )21-13-22-41(3)23-14-24-4
    2(4)25-15-26-43(5)27-16-2
    8-44(6)29-17-30-45(7)31-1
    8-32-46(8)33-19-34-47(9)3
    5-20-36-48(10)37-38-51-39
    -52(54)49(11)50(12)53(51)
    55/h21,23,25,27,29,31,33,
    35,37,39H,13-20,22,24,26,
    28,30,32,34,36,38H2,1-12H
    3;
    FKUYMLZIRPABFK-UHFFFAOYSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC
    CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(=O
    )C(=C(C)C1=O)C; CC1=C(C(=O)C(=CC1=O)CC=C
    (C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C
    (C)CCC=C(C)CCC=C(C)CCC=C(C)C)C; O=C1C(=C
    C(=O)C(=C1C)C)C\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)CC\C=C(/C)CC\C=C(/C)C    		 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE;
    PLASTOQUINONE 9
    37305
    PLA
    ZINC000003870760    		 17 C13 H19 N2 O9 P InChI=1S/C13H19N2O9P/c1-7
    -11(18)9(8(4-14-7)6-24-25
    (21,22)23)5-15-13(2,12(19
    )20)3-10(16)17/h4,15,18H,
    3,5-6H2,1-2H3,(H,16,17)(H
    ,19,20)(H2,21,22,23)/t13-
    /m0/s1;
    ZFKRUCNEKPIDBK-ZDUSSCGKSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CN[C@@](C)(CC(O)=
    O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C
    NC(C)(CC(=O)O)C(=O)O)O; Cc1c(c(c(cn1)COP
    (=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O; O=
    C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CC(
    =O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C](C)(CC
    (O)=O)C(O)=O)c1O    		 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID;
    N-PYRIDOXYL-2-METHYLASPARTIC ACID-5-MONOPHOSPHATE
    37306
    PLB
    CHEMBL1204498
    DB08402
    ZINC000012358153    		 7 C18 H11 Cl2 N3 O4 InChI=1S/C18H11Cl2N3O4/c1
    9-10-2-4-12(14(20)8-10)16
    (24)23-15-5-3-11(9-13(15)
    17(25)26)27-18-21-6-1-7-2
    2-18/h1-9H,(H,23,24)(H,25
    ,26);
    VNDRRWBKNSHALL-UHFFFAOYSA-N    		 OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c3ccc(Cl)
    cc3Cl; Clc1ccc(c(Cl)c1)C(=O)Nc3c(C(=O)O)
    cc(Oc2ncccn2)cc3; c1cnc(nc1)Oc2ccc(c(c2)
    C(=O)O)NC(=O)c3ccc(cc3Cl)Cl    		 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID;
    5-(2-PYRIMIDINYLOXY)-2-BENZOYLAMINOBENZOIC ACID
    37307
    PLC
    DB02777
    ZINC000014880487    		 0 C32 H65 N O8 P InChI=1S/C32H64NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -31(34)38-28-30(29-40-42(
    36,37)39-27-26-33(3,4)5)4
    1-32(35)25-23-21-19-17-15
    -13-11-9-7-2/h30H,6-29H2,
    1-5H3/p+1/t30-/m1/s1;
    IJFVSSZAOYLHEE-SSEXGKCCSA-O    		 CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N
    +](C)(C)C)OC(=O)CCCCCCCCCCC; O=C(OCC(OC(
    =O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)
    CCCCCCCCCCC; CCCCCCCCCCCC(=O)OC[C@H](CO[
    P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC
    CCC; CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N
    +](C)(C)C)OC(=O)CCCCCCCCCCC; CCCCCCCCCCC
    C(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C
    )OC(=O)CCCCCCCCCCC    		 DIUNDECYL PHOSPHATIDYL CHOLINE
    37308
    PLD    		 0 C50 H101 N O8 P InChI=1S/C50H100NO8P/c1-6
    -8-10-12-14-16-18-20-22-2
    4-26-28-30-32-34-36-38-40
    -42-49(52)56-46-48(47-58-
    60(54,55)57-45-44-51(3,4)
    5)59-50(53)43-41-39-37-35
    -33-31-29-27-25-23-21-19-
    17-15-13-11-9-7-2/h48H,6-
    47H2,1-5H3/p+1/t48-/m1/s1;
    QFFSGJSMHPWZOB-QSCHNALKSA-O    		 CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@]
    (=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC
    CCCCCCCC; O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC
    CCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCC
    CCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCC(=O)OCC
    (COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC
    CCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCC(=O)O
    C[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)C
    CCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCC
    CC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C
    )OC(=O)CCCCCCCCCCCCCCCCCCCC    		 di-heneicosanoyl phosphatidyl choline
    37309
    PLE
    CHEMBL40422
    DB02386    		 0 C5 H14 N O3 P InChI=1S/C5H14NO3P/c1-4(2
    )3-5(6)10(7,8)9/h4-5H,3,6
    H2,1-2H3,(H2,7,8,9)/t5-/m
    1/s1;
    HGCAUCAWEADMPM-RXMQYKEDSA-N    		 CC(C)C[CH](N)[P](O)(O)=O; CC(C)C[C@H](N)
    P(=O)(O)O; CC(C)CC(N)P(=O)(O)O; CC(C)C[C
    @H](N)[P](O)(O)=O; O=P(O)(O)C(N)CC(C)C    		 [(1R)-1-amino-3-methylbutyl]phosphonic acid
    37310
    PLF
    ZINC000098209307    		 0 C9 H14 N4 O2 InChI=1S/C9H14N4O2/c1-6(9
    (14)15)13-5-8(11-12-13)7-
    3-2-4-10-7/h5-7,10H,2-4H2
    ,1H3,(H,14,15)/t6-,7-/m0/
    s1;
    QCMZXGNUTSEEHK-BQBZGAKWSA-N    		 CC(C(=O)O)n1cc(nn1)C2CCCN2; O=C(O)C(n1nn
    c(c1)C2NCCC2)C; C[C@@H](C(=O)O)n1cc(nn1)
    [C@@H]2CCCN2; C[CH](n1cc(nn1)[CH]2CCCN2)
    C(O)=O; C[C@H](n1cc(nn1)[C@@H]2CCCN2)C(O
    )=O    		 2-[5-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
    37311
    PLG
    DB02824
    ZINC000002046831    		 276 C10 H15 N2 O7 P InChI=1S/C10H15N2O7P/c1-6
    -10(15)8(3-11-4-9(13)14)7
    (2-12-6)5-19-20(16,17)18/
    h2,11,15H,3-5H2,1H3,(H,13
    ,14)(H2,16,17,18);
    FEVQWBMNLWUBTF-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CNCC(O)=O)c1O; O=
    P(O)(O)OCc1cnc(c(O)c1CNCC(=O)O)C; Cc1c(c
    (c(cn1)COP(=O)(O)O)CNCC(=O)O)O    		 N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE];
    N-PYRIDOXYL-GLYCINE-5-MONOPHOSPHATE
    37312
    PLH
    CHEMBL11306
    DB08403    		 2 C18 H27 N3 O4 InChI=1S/C18H27N3O4/c1-12
    (2)9-14(11-16(22)21-25)17
    (23)20-15(18(24)19-3)10-1
    3-7-5-4-6-8-13/h4-8,12,14
    -15,25H,9-11H2,1-3H3,(H,1
    9,24)(H,20,23)(H,21,22)/t
    14-,15+/m1/s1;
    MOPRTFSMCQNUCT-CABCVRRESA-N    		 CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccccc1)C(=O)
    NC; CNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(
    C)C)CC(=O)NO; O=C(NO)CC(C(=O)NC(C(=O)NC)
    Cc1ccccc1)CC(C)C; CNC(=O)[C@H](Cc1ccccc1
    )NC(=O)[C@H](CC(C)C)CC(=O)NO; CC(C)C[C@H
    ](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
    C    		 METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID
    37313
    PLI
    ZINC000058638361    		 5 C11 H15 N2 O7 P InChI=1S/C11H15N2O7P/c1-6
    -10(14)9(4-13-7(2)11(15)1
    6)8(3-12-6)5-20-21(17,18)
    19/h3-4,12,14H,5H2,1-2H3,
    (H,15,16)(H2,17,18,19)/b9
    -4-,13-7+;
    ADVVJYVQWSKPQC-ZAQQZXBOSA-N    		 CC1=C(O)C(=CN=C(C)C(O)=O)C(=CN1)CO[P](O)
    (O)=O; CC1=C(C(=CN=C(C)C(=O)O)C(=CN1)COP
    (=O)(O)O)O; CC1=C(/C(=C\N=C(/C)\C(=O)O)/
    C(=CN1)COP(=O)(O)O)O; CC1=C(O)C(=C\N=C(C
    )C(O)=O)/C(=CN1)CO[P](O)(O)=O; O=C(O)/C(
    =N/C=C1\C(O)=C(NC=C1COP(=O)(O)O)C)C    		 (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID
    37314
    PLJ
    ZINC000053151192    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-9-6(
    8)5-3-2-4-7-5/h5,7H,2-4H2
    ,1H3/t5-/m0/s1;
    BLWYXBNNBYXPPL-YFKPBYRVSA-N    		 COC(=O)[CH]1CCCN1; COC(=O)C1CCCN1; COC(=
    O)[C@@H]1CCCN1; O=C(OC)C1NCCC1    		 methyl L-prolinate
    37315
    PLK
    ZINC000098209308    		 5 C15 H25 N2 O7 P InChI=1S/C15H25N2O7P/c1-9
    (2)4-12(5-14(18)19)17-7-1
    3-11(8-24-25(21,22)23)6-1
    6-10(3)15(13)20/h6,9,12,1
    7,20H,4-5,7-8H2,1-3H3,(H,
    18,19)(H2,21,22,23)/t12-/
    m1/s1;
    YMKBKDGGJWGJOL-GFCCVEGCSA-N    		 CC(C)C[C@H](CC(O)=O)NCc1c(O)c(C)ncc1CO[P
    ](O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(
    CC(C)C)CC(=O)O)O; O=C(O)CC(NCc1c(cnc(c1O
    )C)COP(=O)(O)O)CC(C)C; CC(C)C[CH](CC(O)=
    O)NCc1c(O)c(C)ncc1CO[P](O)(O)=O; Cc1c(c(
    c(cn1)COP(=O)(O)O)CN[C@H](CC(C)C)CC(=O)O
    )O    		 (3R)-3-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-METHYLHEXANOIC ACID;
    R-3-amino-5-methylhexanoicacid-pyridoxal-5p-phosphate
    37316
    PLL    		 33 C3 H5 Pd InChI=1S/C3H5.Pd/c1-3-2;/
    h3H,1-2H2;;
    WTWGCTVOVPTEEU-UHFFFAOYSA-N    		 [Pd].CCC; C1C2[Pd]1C2; [Pd]21CC1C2 Palladium(II) allyl complex
    37317
    PLM
    CHEMBL82293
    DB03796
    ZINC000006072466    		 82 C16 H32 O2 InChI=1S/C16H32O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16(17)18/h2-15H2,1H3
    ,(H,17,18);
    IPCSVZSSVZVIGE-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCC(=O)O; O=C(O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCC(O)=O    		 PALMITIC ACID
    37318
    PLO
    CHEMBL253363
    DB02789
    ZINC000003861150    		 7 C21 H32 O2 InChI=1S/C21H32O2/c1-13(2
    2)17-6-7-18-16-5-4-14-12-
    15(23)8-10-20(14,2)19(16)
    9-11-21(17,18)3/h4,15-19,
    23H,5-12H2,1-3H3/t15-,16-
    ,17+,18-,19-,20-,21+/m0/s
    1;
    ORNBQBCIOKFOEO-QGVNFLHTSA-N    		 CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C
    ]4(C)[CH]3CC[C]12C; CC(=O)C1CCC2C1(CCC3C
    2CC=C4C3(CCC(C4)O)C)C; CC(=O)[C@H]1CC[C@
    @H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[
    C@@H](C4)O)C)C; CC(=O)[C@H]1CC[C@H]2[C@@
    H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]
    12C; O=C(C)C2C1(CCC3C(C1CC2)CC=C4C3(CCC(
    O)C4)C)C    		 (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE;
    PREGNENOLONE
    37319
    PLP
    CHEMBL82202
    DB00114
    ZINC000001532514    		 3640 C8 H10 N O6 P InChI=1S/C8H10NO6P/c1-5-8
    (11)7(3-10)6(2-9-5)4-15-1
    6(12,13)14/h2-3,11H,4H2,1
    H3,(H2,12,13,14);
    NGVDGCNFYWLIFO-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O; Cc1c(c(c
    (cn1)COP(=O)(O)O)C=O)O; O=P(O)(O)OCc1cnc
    (c(O)c1C=O)C    		 PYRIDOXAL-5'-PHOSPHATE;
    VITAMIN B6 Phosphate
    37320
    PLQ
    CHEMBL8320
    ZINC000000895247    		 20 C6 H4 O2 InChI=1S/C6H4O2/c7-5-1-2-
    6(8)4-3-5/h1-4H;
    AZQWKYJCGOJGHM-UHFFFAOYSA-N    		 O=C1C=CC(=O)C=C1; C1=CC(=O)C=CC1=O 1,4-benzoquinone;
    cyclohexa-2,5-diene-1,4-dione;
    QUINONE RING OF THE PLASTOQUINONE 9
    37321
    PLR
    CHEMBL1235333
    ZINC000001656021    		 99 C8 H12 N O5 P InChI=1S/C8H12NO5P/c1-5-7
    (4-14-15(11,12)13)3-9-6(2
    )8(5)10/h3,10H,4H2,1-2H3,
    (H2,11,12,13);
    RBCOYOYDYNXAFA-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C)c1O; O=P(O)(O)O
    Cc1cnc(c(O)c1C)C; Cc1c(cnc(c1O)C)COP(=O)
    (O)O    		 (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    4'-DEOXYPYRIDOXINE PHOSPHATE
    37322
    PLS
    ZINC000002047254    		 76 C11 H17 N2 O8 P InChI=1S/C11H17N2O8P/c1-6
    -10(15)8(3-13-9(4-14)11(1
    6)17)7(2-12-6)5-21-22(18,
    19)20/h2,9,13-15H,3-5H2,1
    H3,(H,16,17)(H2,18,19,20)
    /t9-/m0/s1;
    ODVKKQWXKRZJLG-VIFPVBQESA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CO)C(=O)O)O
    ; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C
    (=O)O)O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)
    (O)O)CO; Cc1ncc(CO[P](O)(O)=O)c(CN[CH](C
    O)C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CN[
    C@@H](CO)C(O)=O)c1O    		 [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE;
    PYRIDOXYL-SERINE-5-MONOPHOSPHATE
    37323
    PLT
    ZINC000038160238    		 4 C19 H20 N3 O7 P InChI=1S/C19H20N3O7P/c1-1
    1-18(23)15(13(8-20-11)10-
    29-30(26,27)28)9-22-17(19
    (24)25)6-12-7-21-16-5-3-2
    -4-14(12)16/h2-5,7-9,17,2
    1,23H,6,10H2,1H3,(H,24,25
    )(H2,26,27,28)/b22-9+/t17
    -/m0/s1;
    MFRRQHVPLFTBMS-NUYDQDRBSA-N    		 O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(C(=O)O)Cc3
    c2ccccc2nc3)C; Cc1c(c(c(cn1)COP(=O)(O)O)
    C=NC(Cc2c[nH]c3c2cccc3)C(=O)O)O; Cc1c(c(
    c(cn1)COP(=O)(O)O)\C=N\[C@@H](Cc2c[nH]c3
    c2cccc3)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c
    (C=N[CH](Cc2c[nH]c3ccccc23)C(O)=O)c1O; C
    c1ncc(CO[P](O)(O)=O)c(C=N[C@@H](Cc2c[nH]
    c3ccccc23)C(O)=O)c1O    		 [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
    37324
    PLU
    CHEMBL40422
    DB02386
    ZINC000002047807    		 6 C5 H14 N O3 P InChI=1S/C5H14NO3P/c1-4(2
    )3-5(6)10(7,8)9/h4-5H,3,6
    H2,1-2H3,(H2,7,8,9)/t5-/m
    1/s1;
    HGCAUCAWEADMPM-RXMQYKEDSA-N    		 CC(C)C[CH](N)[P](O)(O)=O; CC(C)C[C@H](N)
    P(=O)(O)O; CC(C)CC(N)P(=O)(O)O; CC(C)C[C
    @H](N)[P](O)(O)=O; O=P(O)(O)C(N)CC(C)C    		 LEUCINE PHOSPHONIC ACID
    37325
    PLV
    ZINC000002047394    		 4 C12 H19 N2 O8 P InChI=1S/C12H19N2O8P/c1-7
    -11(15)9(4-14-10(6-21-2)1
    2(16)17)8(3-13-7)5-22-23(
    18,19)20/h3,10,14-15H,4-6
    H2,1-2H3,(H,16,17)(H2,18,
    19,20)/t10-/m0/s1;
    DEHSEGNQBACQEW-JTQLQIEISA-N    		 COC[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C
    (O)=O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O
    )O)COC; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(COC
    )C(=O)O)O; COC[CH](NCc1c(O)c(C)ncc1CO[P]
    (O)(O)=O)C(O)=O; Cc1c(c(c(cn1)COP(=O)(O)
    O)CN[C@@H](COC)C(=O)O)O    		 N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-O-METHYL-L-SERINE;
    PYRIDOXYL-(O-METHYL-SERINE)-5-MONOPHOSPHATE
    37326
    PLW
    ZINC000098209309    		 0 C10 H18 N4 O2 InChI=1S/C10H18N4O2/c1-4-
    6(2)9(11)8-5-12-13-14(8)7
    (3)10(15)16/h5-7,9H,4,11H
    2,1-3H3,(H,15,16)/t6-,7-,
    9-/m0/s1;
    DLMMPFLEEKGBCE-ZKWXMUAHSA-N    		 CCC(C)C(c1cnnn1C(C)C(=O)O)N; CC[C@H](C)[
    C@H](N)c1cnnn1[C@@H](C)C(O)=O; CC[C@H](C
    )[C@@H](c1cnnn1[C@@H](C)C(=O)O)N; O=C(O)
    C(n1nncc1C(N)C(C)CC)C; CC[CH](C)[CH](N)c
    1cnnn1[CH](C)C(O)=O    		 (2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
    37327
    PLX
    ZINC000058638459    		 1085 C42 H89 N O8 P InChI=1S/C42H88NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -25-27-29-31-33-35-42(45)
    51-40(39-50-52(46,47)49-3
    7-36-43(3,4)5)38-48-41(44
    )34-32-30-28-26-24-22-19-
    17-15-13-11-9-7-2/h40-42,
    44-45H,6-39H2,1-5H3/p+1/t
    40-,41+,42+/m1/s1;
    YVNJQRQLQPWVSQ-IWSHAHEXSA-O    		 CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@H]
    (O)CCCCCCCCCCCCCCC)CO[P@@](O)(=O)OCC[N+]
    (C)(C)C; CCCCCCCCCCCCCCCCCC(O)OC(COC(CCC
    CCCCCCCCCCCC)O)COP(=O)(O)OCC[N+](C)(C)C;
    CCCCCCCCCCCCCCCCC[CH](O)O[CH](CO[CH](O)
    CCCCCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C
    )C; O=P(OCC(OC(O)CCCCCCCCCCCCCCCCC)COC(O
    )CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O; CCCC
    CCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CC
    CCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(
    C)C    		 (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL
    37328
    PLY
    CHEMBL1235338
    DB03381    		 0 C16 H32 O InChI=1/C16H32O/c1-2-3-4-
    5-6-7-8-9-10-11-12-13-14-
    15-16-17/h16H,2-15H2,1H3;
    NIOYUNMRJMEDGI-UHFFFAOYAM    		 O=CCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC=O PALMITOYL
    37329
    PLZ
    ZINC000013521244    		 14 C12 H19 N2 O7 P InChI=1S/C12H19N2O7P/c1-8
    -12(17)10(6-13-4-2-3-11(1
    5)16)9(5-14-8)7-21-22(18,
    19)20/h5,13,17H,2-4,6-7H2
    ,1H3,(H,15,16)(H2,18,19,2
    0);
    DOHWOHSLOVXAFH-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O;
    Cc1ncc(CO[P](O)(O)=O)c(CNCCCC(O)=O)c1O;
    O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C    		 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
    37330
    PM0    		 1 C53 H72 O24 InChI=1S/C53H72O24/c1-18-
    29(73-34-14-30(43(58)21(4
    )69-34)74-33-13-28(55)42(
    57)20(3)68-33)12-26-10-25
    -11-27-48(67-9)47(62)38(1
    9(2)54)50(64)53(27,51(65)
    40(25)46(61)39(26)41(18)5
    6)77-36-16-32(45(60)23(6)
    71-36)75-35-15-31(44(59)2
    2(5)70-35)76-37-17-52(8,6
    6)49(63)24(7)72-37/h10,12
    ,20-24,27-28,30-37,42-45,
    48-49,55-63,66H,11,13-17H
    2,1-9H3/t20-,21-,22-,23-,
    24-,27+,28-,30-,31-,32-,3
    3+,34+,35+,36+,37+,42-,43
    -,44+,45-,48+,49-,52+,53-
    /m1/s1;
    HCTADUCAPFYREF-OFWAWROCSA-N    		 Cc1c(cc2cc3c(c(c2c1O)O)C(=O)C4(C(C3)C(C(
    =C(C4=O)C(=O)C)O)OC)OC5CC(C(C(O5)C)O)OC6
    CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)(C)O)OC8C
    C(C(C(O8)C)O)OC9CC(C(C(O9)C)O)O; Cc1c(cc
    2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@
    @H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H](
    [C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H](
    [C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O
    7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8
    )C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O
    ; CO[CH]1[CH]2Cc3cc4cc(O[CH]5C[CH](O[CH]
    6C[CH](O)[CH](O)[CH](C)O6)[CH](O)[CH](C)
    O5)c(C)c(O)c4c(O)c3C(=O)[C]2(O[CH]7C[CH]
    (O[CH]8C[CH](O[CH]9C[C](C)(O)[CH](O)[CH]
    (C)O9)[CH](O)[CH](C)O8)[CH](O)[CH](C)O7)
    C(=O)C(=C1O)C(C)=O; CO[C@H]1[C@@H]2Cc3cc
    4cc(O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@H
    ](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)c(C)
    c(O)c4c(O)c3C(=O)[C@]2(O[C@H]7C[C@@H](O[
    C@H]8C[C@@H](O[C@H]9C[C@](C)(O)[C@H](O)[
    C@@H](C)O9)[C@@H](O)[C@@H](C)O8)[C@H](O)
    [C@@H](C)O7)C(=O)C(=C1O)C(C)=O; O=C8c4c(
    cc3cc(OC2OC(C)C(O)C(OC1OC(C)C(O)C(O)C1)C
    2)c(c(O)c3c4O)C)CC9C8(OC7OC(C(O)C(OC6OC(
    C)C(O)C(OC5OC(C)C(O)C(O)(C)C5)C6)C7)C)C(
    =O)C(C(=O)C)=C(O)C9OC    		 premithramycin B;
    (1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy} -2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D- arabino-hexopyranoside
    37331
    PM1
    CHEMBL189607
    DB04006    		 1 C21 H13 F2 N3 O2 InChI=1S/C21H13F2N3O2/c22
    -14-7-4-8-15(23)17(14)19(
    27)13-9-10-16-25-21(24)18
    (26(16)11-13)20(28)12-5-2
    -1-3-6-12/h1-11H,24H2;
    WUGJIPFLBOATGL-UHFFFAOYSA-N    		 Fc1cccc(F)c1C(=O)c2ccc3nc(c(n3c2)C(=O)c4
    ccccc4)N; c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3
    )C(=O)c4c(cccc4F)F)N; Nc1nc2ccc(cn2c1C(=
    O)c3ccccc3)C(=O)c4c(F)cccc4F    		 [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE
    37332
    PM2
    DB04764
    ZINC000012080875    		 6 C26 H29 N3 O InChI=1S/C26H29N3O/c27-17
    -21-7-4-8-24(15-21)23-11-
    13-29(14-12-23)26(30)25-1
    6-22(18-28-19-25)10-9-20-
    5-2-1-3-6-20/h1-8,15-16,1
    8-19,23H,9-14,17,27H2;
    CCLHROFBSWWOQO-UHFFFAOYSA-N    		 O=C(c1cc(cnc1)CCc2ccccc2)N4CCC(c3cccc(c3
    )CN)CC4; c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CC
    C(CC3)c4cccc(c4)CN; NCc1cccc(c1)C2CCN(CC
    2)C(=O)c3cncc(CCc4ccccc4)c3    		 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE;
    [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE
    37333
    PM3
    ZINC000001550959    		 0 C10 H14 N O5 P InChI=1S/C10H14NO5P/c11-9
    (10(12)13)5-7-1-3-8(4-2-7
    )6-17(14,15)16/h1-4,9H,5-
    6,11H2,(H,12,13)(H2,14,15
    ,16)/t9-/m0/s1;
    SAQLLHDEEMZENJ-VIFPVBQESA-N    		 O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O; c1cc(cc
    c1CC(C(=O)O)N)CP(=O)(O)O; c1cc(ccc1C[C@@
    H](C(=O)O)N)CP(=O)(O)O; N[CH](Cc1ccc(C[P
    ](O)(O)=O)cc1)C(O)=O; N[C@@H](Cc1ccc(C[P
    ](O)(O)=O)cc1)C(O)=O    		 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID
    37334
    PM4
    DB08404
    ZINC000053683128    		 2 C17 H33 N2 O7 P S InChI=1S/C17H33N2O7PS/c1-
    4-5-6-7-14(21)28-11-10-18
    -13(20)8-9-19-16(23)15(22
    )17(2,3)12-26-27(24)25/h1
    5,22,27H,4-12H2,1-3H3,(H,
    18,20)(H,19,23)(H,24,25)/
    t15-/m0/s1;
    RXYQLYCKZTXHTF-HNNXBMFYSA-N    		 CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(
    =O)O)O; CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H
    ](C(C)(C)CO[P@H](=O)O)O; CCCCCC(=O)SCCNC
    (=O)CCNC(=O)[C@H](O)C(C)(C)CO[PH](O)=O;
    CCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C
    )CO[PH](O)=O; O=C(SCCNC(=O)CCNC(=O)C(O)C
    (C)(C)COP(=O)O)CCCCC    		 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE
    37335
    PM5
    DB08405
    ZINC000053683133    		 2 C18 H35 N2 O7 P S InChI=1S/C18H35N2O7PS/c1-
    4-5-6-7-8-15(22)29-12-11-
    19-14(21)9-10-20-17(24)16
    (23)18(2,3)13-27-28(25)26
    /h16,23,28H,4-13H2,1-3H3,
    (H,19,21)(H,20,24)(H,25,2
    6)/t16-/m0/s1;
    IPSBILXXAVXCDA-INIZCTEOSA-N    		 CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP
    (=O)O)O; CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@
    @H](C(C)(C)CO[P@H](=O)O)O; O=C(SCCNC(=O)
    CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCCC; CCCC
    CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)C
    O[PH](O)=O; CCCCCCC(=O)SCCNC(=O)CCNC(=O)
    [CH](O)C(C)(C)CO[PH](O)=O    		 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE
    37336
    PM6
    CHEMBL1425
    DB01033
    ZINC000004658290    		 6 C5 H4 N4 S InChI=1S/C5H4N4S/c10-5-3-
    4(7-1-6-3)8-2-9-5/h1-2H,(
    H2,6,7,8,9,10);
    GLVAUDGFNGKCSF-UHFFFAOYSA-N    		 c1[nH]c2c(n1)c(ncn2)S; Sc1ncnc2[nH]cnc12
    ; n2c1c(ncn1)c(nc2)S    		 9H-purine-6-thiol;
    6-Mercaptopurine
    37337
    PM7
    CHEMBL461324
    ZINC000040392159    		 14 C21 H25 N3 O InChI=1S/C21H25N3O/c1-19(
    2)16-11-21-8-5-9-24(21)12
    -20(16,23-18(21)25)10-14-
    13-6-3-4-7-15(13)22-17(14
    )19/h3-4,6-7,16,22H,5,8-1
    2H2,1-2H3,(H,23,25)/t16-,
    20+,21-/m0/s1;
    LBTZXCFDJFHPMI-DQLDELGASA-N    		 CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c1[n
    H]c6ccccc56)NC4=O; N2C(=O)C61CCCN1CC23C(
    C(c5c(C3)c4c(cccc4)n5)(C)C)C6; CC1(C)[CH
    ]2C[C]34CCCN3C[C]2(Cc5c1[nH]c6ccccc56)NC
    4=O; CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1
    C[C@@]6(CCCN6C4)C(=O)N5)C; CC1(c2c(c3ccc
    cc3[nH]2)CC45C1CC6(CCCN6C4)C(=O)N5)C    		 (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one;
    premalbrancheamide E
    37338
    PM8
    ZINC000058660945    		 15 C21 H41 N2 O7 P S InChI=1S/C21H41N2O7PS/c1-
    4-5-6-7-8-9-10-11-18(25)3
    2-15-14-22-17(24)12-13-23
    -20(27)19(26)21(2,3)16-30
    -31(28)29/h19,26,31H,4-16
    H2,1-3H3,(H,22,24)(H,23,2
    7)(H,28,29)/t19-/m0/s1;
    BPRKYNVKIAROET-IBGZPJMESA-N    		 CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C
    (C)(C)CO[PH](O)=O; O=C(SCCNC(=O)CCNC(=O)
    C(O)C(C)(C)COP(=O)O)CCCCCCCCC; CCCCCCCCC
    C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)O)
    O; CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H]
    (C(C)(C)CO[P@H](=O)O)O; CCCCCCCCCC(=O)SC
    CNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)=O    		 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE
    37339
    PM9
    ZINC000058638491    		 2 C13 H19 N2 O7 P S InChI=1S/C13H19N2O7PS/c1-
    8-12(16)10(6-15-11(13(17)
    18)3-4-24-2)9(5-14-8)7-22
    -23(19,20)21/h5-6,14,16H,
    3-4,7H2,1-2H3,(H,17,18)(H
    2,19,20,21)/b10-6-,15-11+;
    UNHRYMFMFMQCNK-JNVWRRHBSA-N    		 CC1=C(/C(=C\N=C(/CCSC)\C(=O)O)/C(=CN1)CO
    P(=O)(O)O)O; CSCCC(=NC=C1C(=C(C)NC=C1CO[
    P](O)(O)=O)O)C(O)=O; CC1=C(C(=CN=C(CCSC)
    C(=O)O)C(=CN1)COP(=O)(O)O)O; CSCCC(=N\C=
    C1/C(=C(C)NC=C1CO[P](O)(O)=O)O)C(O)=O; O
    =C(O)/C(=N/C=C1\C(O)=C(NC=C1COP(=O)(O)O)
    C)CCSC    		 (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}-4-(METHYLSULFANYL)BUTANOIC ACID
    37340
    PMA
    CHEMBL1235346
    DB02749
    ZINC000000391925    		 4 C10 H6 O8 InChI=1S/C10H6O8/c11-7(12
    )3-1-4(8(13)14)6(10(17)18
    )2-5(3)9(15)16/h1-2H,(H,1
    1,12)(H,13,14)(H,15,16)(H
    ,17,18);
    CYIDZMCFTVVTJO-UHFFFAOYSA-N    		 OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O; O=
    C(O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O; c1c(
    c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O    		 PYROMELLITIC ACID
    37341
    PMB
    DB02983    		 14 C6 H5 Hg O3 S InChI=1S/C6H5O3S.Hg/c7-10
    (8,9)6-4-2-1-3-5-6;/h2-5H
    ,(H,7,8,9);;
    KQAOIKIZSJJTII-UHFFFAOYSA-N    		 c1cc(ccc1S(=O)(=O)O)[Hg]; O[S](=O)(=O)c1
    ccc([Hg])cc1; [Hg]c1ccc(cc1)S(=O)(=O)O    		 PARA-MERCURY-BENZENESULFONIC ACID
    37342
    PMC
    CHEMBL354773
    DB04406    		 24 C7 H8 N O5 P InChI=1S/C7H8NO5P/c9-7(10
    )6-5(2-1-3-8-6)4-14(11,12
    )13/h1-3H,4H2,(H,9,10)(H2
    ,11,12,13);
    ROSWJUKEABEPFJ-UHFFFAOYSA-N    		 OC(=O)c1ncccc1C[P](O)(O)=O; O=C(O)c1nccc
    c1CP(=O)(O)O; c1cc(c(nc1)C(=O)O)CP(=O)(O
    )O    		 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID
    37343
    PMD
    CHEMBL301769
    DB08406
    ZINC000002043425    		 1 C21 H17 N7 InChI=1S/C21H17N7/c22-19-
    18-20(27-21(23)26-19)24-1
    1-15(25-18)12-28-16-7-3-1
    -5-13(16)9-10-14-6-2-4-8-
    17(14)28/h1-11H,12H2,(H4,
    22,23,24,26,27);
    NXCCIJQEAKMFGW-UHFFFAOYSA-N    		 n1cc(nc2c1nc(nc2N)N)CN5c3ccccc3C=Cc4c5cc
    cc4; c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4
    )c(nc(n5)N)N; Nc1nc(N)c2nc(CN3c4ccccc4C=
    Cc5ccccc35)cnc2n1    		 [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE
    37344
    PME
    CHEMBL171679
    DB00168
    ZINC000001532132    		 4 C14 H18 N2 O5 InChI=1S/C14H18N2O5/c1-21
    -14(20)11(7-9-5-3-2-4-6-9
    )16-13(19)10(15)8-12(17)1
    8/h2-6,10-11H,7-8,15H2,1H
    3,(H,16,19)(H,17,18)/t10-
    ,11-/m0/s1;
    IAOZJIPTCAWIRG-QWRGUYRKSA-N    		 COC(=O)[CH](Cc1ccccc1)NC(=O)[CH](N)CC(O)
    =O; COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](
    N)CC(O)=O; COC(=O)C(Cc1ccccc1)NC(=O)C(CC
    (=O)O)N; O=C(O)CC(N)C(=O)NC(C(=O)OC)Cc1c
    cccc1; COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H
    ](CC(=O)O)N    		 N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER;
    ASPARTAME
    37345
    PMF
    CHEMBL190503
    ZINC000008220691    		 3 C7 H7 F O2 S InChI=1S/C7H7FO2S/c8-11(9
    ,10)6-7-4-2-1-3-5-7/h1-5H
    ,6H2;
    YBYRMVIVWMBXKQ-UHFFFAOYSA-N    		 c1ccc(cc1)CS(=O)(=O)F; F[S](=O)(=O)Cc1cc
    ccc1; O=S(F)(=O)Cc1ccccc1    		 phenylmethylsulfonyl fluoride;
    PMSF
    37346
    PMG
    DB04765
    ZINC000012504501    		 4 C14 H21 N2 O9 P InChI=1S/C14H21N2O9P/c1-8
    -12(19)10(9(5-15-8)7-25-2
    6(22,23)24)6-16-14(2,13(2
    0)21)4-3-11(17)18/h5,16,1
    9H,3-4,6-7H2,1-2H3,(H,17,
    18)(H,20,21)(H2,22,23,24)
    /t14-/m0/s1;
    CNIVMJHNGQZEAY-AWEZNQCLSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CN[C@@](C)(CCC(O)
    =O)C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CN
    [C](C)(CCC(O)=O)C(O)=O)c1O; Cc1c(c(c(cn1
    )COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)
    O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(
    C)CCC(=O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CNC
    (C)(CCC(=O)O)C(=O)O)O    		 N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-2-METHYL-L-GLUTAMIC ACID;
    N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE
    37347
    PMH
    DB03097
    ZINC000002046808    		 8 C11 H14 N3 O7 P InChI=1S/C11H14N3O7P/c1-6
    -10(15)8(3-13-9-5-20-14-1
    1(9)16)7(2-12-6)4-21-22(1
    7,18)19/h2,5,13,15H,3-4H2
    ,1H3,(H,14,16)(H2,17,18,1
    9);
    PXWFNGNWQUPGPJ-UHFFFAOYSA-N    		 O=P(O)(O)OCc1c(c(O)c(nc1)C)CNc2conc2O; C
    c1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O; Cc
    1ncc(CO[P](O)(O)=O)c(CNc2conc2O)c1O    		 (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    PMP-HYDROXYISOXAZOLE;
    PYRIDOXAMINE-5-PHOSPHATE-HYDROXYISOXAZOLE
    37348
    PMI
    ZINC000013525586    		 16 C9 H12 N O3 P InChI=1S/C9H12NO3P/c10-9(
    14(11,12)13)5-7-3-1-2-4-8
    (7)6-9/h1-4H,5-6,10H2,(H2
    ,11,12,13);
    YJFRDRWPYDVEIH-UHFFFAOYSA-N    		 NC1(Cc2ccccc2C1)[P](O)(O)=O; O=P(O)(O)C2
    (N)Cc1ccccc1C2; c1ccc2c(c1)CC(C2)(N)P(=O
    )(O)O    		 (2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID;
    2-AMINOINDAN-2-PHOSPHONIC ACID
    37349
    PMJ
    CHEMBL1809211
    ZINC000003925356    		 4 C23 H32 N8 O4 S InChI=1S/C23H32N8O4S/c24-
    21(25)18-10-8-16(9-11-18)
    13-29-20(32)14-30-22(33)1
    9(7-4-12-28-23(26)27)31-3
    6(34,35)15-17-5-2-1-3-6-1
    7/h1-3,5-6,8-11,19,31H,4,
    7,12-15H2,(H3,24,25)(H,29
    ,32)(H,30,33)(H4,26,27,28
    )/t19-/m1/s1;
    MVMUALCRWZYTQR-LJQANCHMSA-N    		 NC(=N)NCCC[C@@H](N[S](=O)(=O)Cc1ccccc1)C
    (=O)NCC(=O)NCc2ccc(cc2)C(N)=N; c1ccc(cc1
    )CS(=O)(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCc
    2ccc(cc2)C(=N)N; NC(=N)NCCC[CH](N[S](=O)
    (=O)Cc1ccccc1)C(=O)NCC(=O)NCc2ccc(cc2)C(
    N)=N; [H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[
    C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc2cccc
    c2)\\N; O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C
    (=[N@H])N)cc1)CCCNC(=[N@H])N)Cc2ccccc2    		 N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide
    37350
    PMK
    ZINC000213029846    		 1 C32 H67 O4 P InChI=1S/C32H67O4P/c1-7-8
    -9-10-11-17-28(2)18-12-19
    -29(3)20-13-21-30(4)22-14
    -23-31(5)24-15-25-32(6)26
    -16-27-36-37(33,34)35/h28
    -32H,7-27H2,1-6H3,(H2,33,
    34,35)/t28-,29+,30+,31+,3
    2-/m1/s1;
    WLNOCCJMGSEDAT-GCIGRYLYSA-N    		 CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
    CCOP(=O)(O)O; O=P(OCCCC(CCCC(C)CCCC(C)CC
    CC(C)CCCC(C)CCCCCCC)C)(O)O; CCCCCCC[CH](
    C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](
    C)CCCO[P](O)(O)=O; CCCCCCC[C@@H](C)CCC[C
    @H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)
    CCCOP(=O)(O)O; CCCCCCC[C@@H](C)CCC[C@H](
    C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCO
    [P](O)(O)=O    		 (4R,8S,16S,20R)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
    37351
    PML
    CHEMBL1235351
    DB01856
    ZINC000001529489    		 11 C7 H12 O4 InChI=1S/C7H12O4/c8-6(9)4
    -2-1-3-5-7(10)11/h1-5H2,(
    H,8,9)(H,10,11);
    WLJVNTCWHIRURA-UHFFFAOYSA-N    		 OC(=O)CCCCCC(O)=O; O=C(O)CCCCCC(=O)O; C(
    CCC(=O)O)CCC(=O)O    		 PIMELIC ACID
    37352
    PMM
    CHEMBL1159902
    DB03592
    ZINC000005973848    		 9 C7 H8 N5 O5 P InChI=1S/C7H8N5O5P/c8-7-1
    1-5-4(6(13)12-7)10-3(1-9-
    5)2-17-18(14,15)16/h1H,2H
    2,(H2,14,15,16)(H3,8,9,11
    ,12,13);
    AJXFJEHKGGCFNM-UHFFFAOYSA-N    		 NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1; c1c
    (nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O; O=P(O)
    (O)OCc1nc2C(=O)NC(=Nc2nc1)N    		 PTERIN-6-YL-METHYL-MONOPHOSPHATE
    37353
    PMN
    CHEMBL411278
    DB08407
    ZINC000029050726    		 4 C24 H27 N O7 InChI=1S/C24H27NO7/c1-22(
    7-6-17(28)25-18-14(26)4-3
    -13(19(18)29)21(30)31)16(
    27)5-8-24-10-12-9-15(20(2
    2)24)32-23(12,2)11-24/h3-
    5,8,12,15,20,26,29H,6-7,9
    -11H2,1-2H3,(H,25,28)(H,3
    0,31)/t12-,15+,20+,22-,23
    +,24+/m1/s1;
    CSOMAHTTWTVBFL-OFBLZTNGSA-N    		 C[C]12C[C]34C[CH]1C[CH](O2)[CH]3[C](C)(C
    CC(=O)Nc5c(O)ccc(C(O)=O)c5O)C(=O)C=C4; C
    [C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C
    (=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O
    )O2; CC12CC34CC1CC(C3C(C(=O)C=C4)(C)CCC(
    =O)Nc5c(ccc(c5O)C(=O)O)O)O2; O=C(O)c1c(O
    )c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC53CC2(OC(
    CC2C3)C45)C)C; C[C@]12C[C@]34C[C@H]1C[C@
    H](O2)[C@H]3[C@](C)(CCC(=O)Nc5c(O)ccc(C(
    O)=O)c5O)C(=O)C=C4    		 PLATENSIMYCIN
    37354
    PMO
    DB04176
    ZINC000005889652    		 1 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c1-2
    1-7-2-3-9-8(4-7)14-6-15(9
    )13-12(17)11(16)10(23-13)
    5-22-24(18,19)20/h2-4,6,1
    0-13,16-17H,5H2,1H3,(H2,1
    8,19,20)/t10-,11-,12-,13+
    /m1/s1;
    VYUPJUKSTVHSQI-LPWJVIDDSA-N    		 O=P(O)(O)OCC3OC(n2cnc1cc(OC)ccc12)C(O)C3
    O; COc1ccc2c(c1)ncn2C3C(C(C(O3)COP(=O)(O
    )O)O)O; COc1ccc2n(cnc2c1)[CH]3O[CH](CO[P
    ](O)(O)=O)[CH](O)[CH]3O; COc1ccc2c(c1)nc
    n2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(
    O)O)O)O; COc1ccc2n(cnc2c1)[C@H]3O[C@H](C
    O[P](O)(O)=O)[C@@H](O)[C@H]3O    		 N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE;
    PHOSPORIC ACID MONO-[3,4-DIHYDROXY-5-(5-METHOXY-BENZOIMIDAZOL-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
    37355
    PMP
    CHEMBL1235353
    DB02142
    ZINC000001532708    		 329 C8 H13 N2 O5 P InChI=1S/C8H13N2O5P/c1-5-
    8(11)7(2-9)6(3-10-5)4-15-
    16(12,13)14/h3,11H,2,4,9H
    2,1H3,(H2,12,13,14);
    ZMJGSOSNSPKHNH-UHFFFAOYSA-N    		 O=P(O)(O)OCc1cnc(c(O)c1CN)C; Cc1c(c(c(cn
    1)COP(=O)(O)O)CN)O; Cc1ncc(CO[P](O)(O)=O
    )c(CN)c1O    		 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
    PYRIDOXAMINE-5'-PHOSPHATE
    37356
    PMQ
    ZINC000011535717    		 2 C8 H9 N O2 InChI=1S/C8H9NO2/c10-8(11
    )9-6-7-4-2-1-3-5-7/h1-5,9
    H,6H2,(H,10,11);
    RRIWSQXXBIFKQM-UHFFFAOYSA-N    		 OC(=O)NCc1ccccc1; c1ccc(cc1)CNC(=O)O; O=
    C(O)NCc1ccccc1    		 benzylcarbamic acid
    37357
    PMR    		 79 C35 H32 Mg N4 O5 InChI=1S/C35H34N4O5.Mg/c1
    -8-19-15(3)22-12-24-17(5)
    21(10-11-28(40)41)32(38-2
    4)30-31(35(43)44-7)34(42)
    29-18(6)25(39-33(29)30)14
    -27-20(9-2)16(4)23(37-27)
    13-26(19)36-22;/h8,12-14,
    31H,1,9-11H2,2-7H3,(H3,36
    ,37,38,39,40,41,42);/q;+4
    /p-2/b22-12-,23-13-,24-12
    -,25-14-,26-13-,27-14-,32
    -30-;/t31-;/m1./s1;
    ZHFORNQMLKGQNN-KKNVGXODSA-L    		 CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8
    c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)C(C(=O)c8c
    7C)C(=O)OC)C)C=C)C; CCC1=C(c2cc3c(c(c4n3
    [Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9C
    CC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C
    )C; CCC1=C(C)C2=[N+]3C1=Cc4n5c6C(=C7C(=C
    (C)C8=[N+]7[Mg]35[N]9C(=C8)C(=C(C=C)C9=C
    2)C)CCC(O)=O)[CH](C(=O)OC)C(=O)c6c4C; CC
    C1=C(C)C2=[N@+]3C1=Cc4n5c6C(=C7C(=C(C)C8
    =[N@+]7[Mg]35[N@]9C(=C8)C(=C(C=C)C9=C2)C
    )CCC(O)=O)[C@@H](C(=O)OC)C(=O)c6c4C    		 Protochlorophyllide
    37358
    PMS
    CHEMBL1171433
    DB03297
    ZINC000001593155    		 0 C7 H8 O3 S InChI=1S/C7H8O3S/c8-11(9,
    10)6-7-4-2-1-3-5-7/h1-5H,
    6H2,(H,8,9,10);
    NIXKBAZVOQAHGC-UHFFFAOYSA-N    		 c1ccc(cc1)CS(=O)(=O)O; O=S(=O)(O)Cc1cccc
    c1; O[S](=O)(=O)Cc1ccccc1    		 phenylmethanesulfonic acid
    37359
    PMT
    ZINC000016051552    		 5 C18 H30 N4 O15 P2 InChI=1S/C18H30N4O15P2/c1
    -18(2,8-35-38(29,30)31)14
    (26)15(27)20-5-3-11(23)37
    -39(32,33)34-7-9-12(24)13
    (25)16(36-9)22-6-4-10(19)
    21-17(22)28/h4,6,9,12-14,
    16,24-26H,3,5,7-8H2,1-2H3
    ,(H,20,27)(H,32,33)(H2,19
    ,21,28)(H2,29,30,31)/t9-,
    12-,13-,14+,16-/m1/s1;
    JURRMAHLXBVXRF-FIEZRUJPSA-N    		 CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)
    O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2
    C=CC(=NC2=O)N; CC(C)(COP(=O)(O)O)[C@H](C
    (=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O; C
    C(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O
    )O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@
    H]1O)N2C=CC(=NC2=O)N; O=P(O)(O)OCC(C)(C)
    C(O)C(=O)NCCC(=O)OP(=O)(O)OCC2OC(N1C(=O)
    N=C(N)C=C1)C(O)C2O; CC(C)(COP(=O)(O)O)C(
    C(=O)NCCC(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=C
    C(=NC2=O)N)O)O)O    		 PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER;
    4'-PHOSPHOPANTOTHENOYL- CYTIDINE-5'-MONOPHOSPHATE
    37360
    PMU
    CHEMBL1800452
    ZINC000072109034    		 1 C17 H22 N4 O3 InChI=1S/C17H22N4O3/c1-9(
    2)12-6-13(20-17(18)19-12)
    11-5-10(3-4-14(11)22)21-7
    -15(23)16(24)8-21/h3-6,9,
    15-16,22-24H,7-8H2,1-2H3,
    (H2,18,19,20)/t15-,16-/m0
    /s1;
    VIUGBRHEHAGOFV-HOTGVXAUSA-N    		 CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3CC(C(C3)O
    )O; CC(C)c1cc(nc(N)n1)c2cc(ccc2O)N3C[C@H
    ](O)[C@@H](O)C3; CC(C)c1cc(nc(N)n1)c2cc(
    ccc2O)N3C[CH](O)[CH](O)C3; CC(C)c1cc(nc(
    n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O;
    n1c(cc(nc1N)c2c(O)ccc(c2)N3CC(O)C(O)C3)C
    (C)C    		 (3S,4S)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol
    37361
    PMV
    ZINC000001532853    		 11 C6 H13 O7 P InChI=1S/C6H13O7P/c1-6(9,
    4-5(7)8)2-3-13-14(10,11)1
    2/h9H,2-4H2,1H3,(H,7,8)(H
    2,10,11,12)/t6-/m1/s1;
    OKZYCXHTTZZYSK-ZCFIWIBFSA-N    		 CC(CCOP(=O)(O)O)(CC(=O)O)O; C[C](O)(CCO[
    P](O)(O)=O)CC(O)=O; C[C@@](O)(CCO[P](O)(
    O)=O)CC(O)=O; C[C@@](CCOP(=O)(O)O)(CC(=O
    )O)O; O=P(O)(O)OCCC(O)(C)CC(=O)O    		 (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID;
    PHOSPHOMEVALONATE
    37362
    PMW
    CHEMBL5075205    		 2 C22 H23 Cl N4 O2 S InChI=1S/C22H23ClN4O2S/c1
    -6-16(22(28)29-5)19-20-26
    -25-13(4)27(20)21-17(11(2
    )12(3)30-21)18(24-19)14-7
    -9-15(23)10-8-14/h7-10,16
    ,19H,6H2,1-5H3/t16-,19+/m
    1/s1;
    WLKVOOMXHSBIOW-APWZRJJASA-N    		 CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)C(
    =N1)c4ccc(cc4)Cl)C)C(=O)OC; CC[CH]([CH]1
    N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc1
    4)C(=O)OC; CCC(C1c2nnc(n2-c3c(c(c(s3)C)C
    )C(=N1)c4ccc(cc4)Cl)C)C(=O)OC; CC[C@H]([
    C@@H]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(
    C)nnc14)C(=O)OC    		 methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate
    37363
    PMX
    CHEMBL463134
    ZINC000013347539    		 1 C14 H14 Cl N O6 InChI=1S/C14H14ClNO6/c1-2
    2-13(19)5-4-12(18)16-10(1
    4(20)21)7-8-2-3-11(17)9(1
    5)6-8/h2-6,10,17H,7H2,1H3
    ,(H,16,18)(H,20,21)/b5-4+
    /t10-/m0/s1;
    KCOKHEIACSQLBQ-YEZKRMTDSA-N    		 COC(=O)C=CC(=O)N[CH](Cc1ccc(O)c(Cl)c1)C(
    O)=O; Clc1cc(ccc1O)CC(C(=O)O)NC(=O)\C=C\
    C(=O)OC; COC(=O)C=CC(=O)NC(Cc1ccc(c(c1)C
    l)O)C(=O)O; COC(=O)\C=C\C(=O)N[C@@H](Cc1
    ccc(O)c(Cl)c1)C(O)=O; COC(=O)/C=C/C(=O)N
    [C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O    		 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine;
    (+)-Xylariamide A
    37364
    PMY    		 0 C48 H67 N17 O10 S2 InChI=1S/C48H67N17O10S2/c
    1-22-35(62-42(65-40(22)51
    )29(16-33(50)67)57-17-28(
    49)41(52)70)46(74)64-37(3
    9(69)30-18-53-21-58-30)47
    (75)59-25(4)38(68)23(2)43
    (71)63-36(26(5)66)45(73)5
    6-15-12-34-60-32(20-76-34
    )48-61-31(19-77-48)44(72)
    55-14-9-13-54-24(3)27-10-
    7-6-8-11-27/h6-8,10-11,18
    -21,23-26,28-29,36-39,54,
    57,66,68-69H,9,12-17,49H2
    ,1-5H3,(H2,50,67)(H2,52,7
    0)(H,53,58)(H,55,72)(H,56
    ,73)(H,59,75)(H,63,71)(H,
    64,74)(H2,51,62,65)/t23-,
    24-,25+,26+,28-,29-,36-,3
    7-,38-,39-/m0/s1;
    RTKDONJKKYUNIT-HJVYYLMSSA-N    		 O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O
    )NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4n
    c(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O
    )c5ncnc5)C)CC(=O)N; Cc1c(nc(nc1N)C(CC(=O
    )N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)O)C
    (=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc3n
    c(cs3)c4nc(cs4)C(=O)NCCCNC(C)c5ccccc5)O;
    C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)
    [C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1
    C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](
    O)c2c[nH]cn2)C(=O)NCCc3scc(n3)c4scc(n4)C
    (=O)NCCCN[C@@H](C)c5ccccc5; C[CH](O)[CH]
    (NC(=O)[CH](C)[CH](O)[CH](C)NC(=O)[CH](N
    C(=O)c1nc(nc(N)c1C)[CH](CC(N)=O)NC[CH](N
    )C(N)=O)[CH](O)c2c[nH]cn2)C(=O)NCCc3scc(
    n3)c4scc(n4)C(=O)NCCCN[CH](C)c5ccccc5; C
    c1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)
    N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O
    )N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@
    @H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)N
    CCCN[C@@H](C)c5ccccc5)O    		 AGLYCON OF PEPLOMYCIN;
    AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]-PROPYL]BLEOMYCINAMIDE
    37365
    PMZ
    CHEMBL39560
    DB01614
    ZINC000000057198    		 1 C19 H22 N2 O S InChI=1S/C19H22N2OS/c1-14
    (22)15-9-10-19-17(13-15)2
    1(12-6-11-20(2)3)16-7-4-5
    -8-18(16)23-19/h4-5,7-10,
    13H,6,11-12H2,1-3H3;
    NOSIYYJFMPDDSA-UHFFFAOYSA-N    		 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O; O=
    C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C; CC
    (=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C    		 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE;
    ACETYLPROMAZINE
    37366
    PN0
    CHEMBL75094
    DB05100
    ZINC000000580328    		 8 C18 H21 N3 O5 S2 InChI=1S/C18H21N3O5S2/c1-
    18(2)16(17(22)20-23)21(11
    -12-27-18)28(24,25)15-5-3
    -13(4-6-15)26-14-7-9-19-1
    0-8-14/h3-10,16,23H,11-12
    H2,1-2H3,(H,20,22)/t16-/m
    0/s1;
    YKPYIPVDTNNYCN-INIZCTEOSA-N    		 CC1(C(N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc
    3)C(=O)NO)C; O=S(=O)(N1C(C(=O)NO)C(SCC1)
    (C)C)c3ccc(Oc2ccncc2)cc3; CC1(C)SCCN([C@
    H]1C(=O)NO)[S](=O)(=O)c2ccc(Oc3ccncc3)cc
    2; CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)
    Oc3ccncc3)C(=O)NO)C; CC1(C)SCCN([CH]1C(=
    O)NO)[S](=O)(=O)c2ccc(Oc3ccncc3)cc2    		 Prinomastat;
    (3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide
    37367
    PN1
    ZINC000004062610    		 2 C16 H19 N3 O4 S InChI=1S/C16H19N3O4S/c1-1
    6(2)11(15(22)23)19-13(21)
    10(14(19)24-16)18-12(20)9
    (17)8-6-4-3-5-7-8/h3-7,9-
    11,14H,17H2,1-2H3,(H,18,2
    0)(H,22,23)/t9-,10+,11-,1
    4+/m0/s1;
    AVKUERGKIZMTKX-BBGACYKPSA-N    		 O=C(O)C2N3C(=O)C(NC(=O)C(c1ccccc1)N)C3SC
    2(C)C; CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccc
    cc3)N)C(=O)O)C; CC1([C@@H](N2[C@H](S1)[C
    @@H](C2=O)NC(=O)[C@H](c3ccccc3)N)C(=O)O)
    C; CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3
    ccccc3)C(=O)N2[C@H]1C(O)=O; CC1(C)S[CH]2
    [CH](NC(=O)[CH](N)c3ccccc3)C(=O)N2[CH]1C
    (O)=O    		 (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
    37368
    PN2
    ZINC000033409231    		 0 C14 H26 N3 O8 P S InChI=1S/C14H26N3O8PS/c1-
    14(2,9-25-26(22,23)24-8-1
    0(15)7-18)12(20)13(21)17-
    4-3-11(19)16-5-6-27/h12,2
    0,27H,3-6,8-9,15H2,1-2H3,
    (H,16,19)(H,17,21)(H,22,2
    3)/t12-/m0/s1;
    ZGRYNLLRYMHWCW-LBPRGKRZSA-N    		 CC(C)(CO[P@@](O)(=O)OCC(N)=C=O)[C@@H](O)
    C(=O)NCCC(=O)NCCS; CC(C)(CO[P](O)(=O)OCC
    (N)=C=O)[CH](O)C(=O)NCCC(=O)NCCS; CC(C)(
    COP(=O)(O)OCC(=C=O)N)C(C(=O)NCCC(=O)NCCS
    )O; CC(C)(CO[P@](=O)(O)OCC(=C=O)N)[C@H](
    C(=O)NCCC(=O)NCCS)O; O=C(NCCS)CCNC(=O)C(
    O)C(C)(C)COP(=O)(O)OCC(=C=O)/N    		 4'-(3-AMINOPROPIONIC) PHOSPHOPANTETHEINE;
    2-AMINO-3-(HYDROXY-(3-HYDROXY-3-[2-(MERCAPTO-ETHYLCARBAMOYL]-2,2-DIMETHYL-PROPOXY-PHOSPHORYLOXY)-PROPIONIC ACID
    37369
    PN3
    ZINC000033977105    		 3 C15 H22 N2 O4 InChI=1S/C15H22N2O4/c1-15
    (2,3)21-14(19)16-13(10-17
    (20)11-18)9-12-7-5-4-6-8-
    12/h4-8,11,13,20H,9-10H2,
    1-3H3,(H,16,19)/t13-/m0/s
    1;
    WLOCWKYZMRXKHU-ZDUSSCGKSA-N    		 CC(C)(C)OC(=O)N[CH](CN(O)C=O)Cc1ccccc1;
    O=CN(O)CC(NC(=O)OC(C)(C)C)Cc1ccccc1; CC(
    C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O; C
    C(C)(C)OC(=O)N[C@H](CN(O)C=O)Cc1ccccc1;
    CC(C)(C)OC(=O)NC(Cc1ccccc1)CN(C=O)O    		 tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
    37370
    PN4
    CHEMBL447943
    ZINC000006716044    		 7 C14 H28 N2 O4 InChI=1S/C14H28N2O4/c1-4-
    5-6-8-15-11(18)7-9-16-13(
    20)12(19)14(2,3)10-17/h12
    ,17,19H,4-10H2,1-3H3,(H,1
    5,18)(H,16,20)/t12-/m0/s1;
    HWNKKPMQPCHGBA-LBPRGKRZSA-N    		 CCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO; CC
    CCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO; O=C(N
    CCC(=O)NCCCCC)C(O)C(C)(C)CO; CCCCCNC(=O)
    CCNC(=O)C(C(C)(C)CO)O; CCCCCNC(=O)CCNC(=
    O)[C@@H](C(C)(C)CO)O    		 (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide;
    N-Pentylpantothenamide
    37371
    PN5
    DB08408
    ZINC000013522155    		 2 C16 H30 N2 O5 S InChI=1S/C16H30N2O5S/c1-1
    5(2,3)14(22)23-10-16(4,5)
    12(20)13(21)18-7-6-11(19)
    17-8-9-24/h12,20,24H,6-10
    H2,1-5H3,(H,17,19)(H,18,2
    1)/t12-/m0/s1;
    KVQSHCZSRKQWCB-LBPRGKRZSA-N    		 CC(C)(C)C(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC
    (=O)NCCS; CC(C)(C)C(=O)OCC(C)(C)[CH](O)C
    (=O)NCCC(=O)NCCS; O=C(NCCS)CCNC(=O)C(O)C
    (C)(C)COC(=O)C(C)(C)C; CC(C)(C)C(=O)OCC(
    C)(C)C(C(=O)NCCC(=O)NCCS)O; CC(C)(C)C(=O
    )OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O    		 (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate
    37372
    PN6
    CHEMBL1096380
    DB05992
    ZINC000003819466    		 6 C19 H20 N4 O2 InChI=1S/C19H20N4O2/c1-19
    (2,3)16-13(20-11-21-16)10
    -15-18(25)22-14(17(24)23-
    15)9-12-7-5-4-6-8-12/h4-1
    1H,1-3H3,(H,20,21)(H,22,2
    5)(H,23,24)/b14-9-,15-10-;
    UNRCMCRRFYFGFX-TYPNBTCFSA-N    		 CC(C)(C)c1[nH]cnc1C=C2NC(=O)C(NC2=O)=Cc3
    ccccc3; [C@H](c1ncnc1C(C)(C)C)=C2NC(=O)C
    (NC2=O)=[C@H]c3ccccc3; CC(C)(C)c1c(nc[nH
    ]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2;
    CC(C)(C)c1c(nc[nH]1)C=C2C(=O)NC(=Cc3ccc
    cc3)C(=O)N2; CC(C)(C)c1[nH]cnc1/C=C/2NC(
    =O)C(/NC/2=O)=C/c3ccccc3    		 (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;
    Plinabulin
    37373
    PN7    		 26 C11 H23 N2 O7 P S InChI=1S/C11H23N2O7PS/c1-
    11(2,7-20-21(17,18)19)9(1
    5)10(16)13-4-3-8(14)12-5-
    6-22/h9,15,22H,3-7H2,1-2H
    3,(H,12,14)(H,13,16)(H2,1
    7,18,19)/t9-/m1/s1;
    JDMUPRLRUUMCTL-SECBINFHSA-N    		 OC(C(C)(COP(O)(O)=O)C)C(=O)NCCC(NCCS)=O;
    CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
    ; CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=
    O)NCCS; CC(C)(CO[P](O)(O)=O)[C@H](O)C(=O
    )NCCC(=O)NCCS; CC(C)(COP(=O)(O)O)[C@@H](
    C(=O)NCCC(=O)NCCS)O    		 N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
    37374
    PN8    		 2 C7 H14 N3 O4 InChI=1S/C7H14N3O4/c8-10-
    9-2-3-4(11)1-5(12)7(14)6(
    3)13/h3-7,9,11-14H,1-2H2/
    t3-,4-,5-,6+,7+/m0/s1;
    FBFTWYYGVGMNEW-YPPKRKOXSA-N    		 O[C@H]1C[C@H](O)[C@H](CN[N]#N)[C@@H](O)[
    C@@H]1O; O[CH]1C[CH](O)[CH](CN[N]#N)[CH]
    (O)[CH]1O; C1[C@@H]([C@@H]([C@H]([C@@H](
    [C@H]1O)O)O)CN[N]#N)O; C1C(C(C(C(C1O)O)O
    )CN[N]#N)O    		 (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
    37375
    PN9
    ZINC000058638491    		 3 C13 H19 N2 O7 P S InChI=1S/C13H19N2O7PS/c1-
    8-12(16)10(6-15-11(13(17)
    18)3-4-24-2)9(5-14-8)7-22
    -23(19,20)21/h5-6,14,16H,
    3-4,7H2,1-2H3,(H,17,18)(H
    2,19,20,21)/b10-6-,15-11+;
    UNHRYMFMFMQCNK-JNVWRRHBSA-N    		 CSCCC(=[NH+]C=C1C(=C(C)NC=C1CO[P](O)(O)=
    O)[O-])C(O)=O; CC1=C(C(=C[NH+]=C(CCSC)C(
    =O)O)C(=CN1)COP(=O)(O)O)[O-]; CC1=C(/C(=
    C\[NH+]=C(/CCSC)\C(=O)O)/C(=CN1)COP(=O)(
    O)O)[O-]; CSCCC(=[NH+]\C=C1/C(=C(C)NC=C1
    CO[P](O)(O)=O)[O-])C(O)=O; O=C(O)C(\CCSC
    )=[NH+]\C=C1/C([O-])=C(C)NC=C1COP(=O)(O)
    O    		 (4Z)-4-({[(1E)-1-carboxy-3-(methylsulfanyl)propylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate;
    PLP-Met adduct intermediate in zwitterionic form
    37376
    PNA
    CHEMBL1173567
    ZINC000004282153    		 6 C12 H15 N O8 InChI=1S/C12H15NO8/c14-5-
    8-9(15)10(16)11(17)12(21-
    8)20-7-3-1-6(2-4-7)13(18)
    19/h1-4,8-12,14-17H,5H2/t
    8-,9-,10+,11+,12+/m1/s1;
    IFBHRQDFSNCLOZ-GCHJQGSQSA-N    		 [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)c
    c2; c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H](
    [C@H]([C@@H]([C@H](O2)CO)O)O)O; c1cc(ccc
    1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O; OC
    [CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](
    O)[CH](O)[CH]1O; OC[C@H]1O[C@H](Oc2ccc(c
    c2)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@@H]
    1O    		 4-nitrophenyl alpha-D-mannopyranoside;
    4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE;
    4-nitrophenyl alpha-D-mannoside;
    4-nitrophenyl D-mannoside;
    4-nitrophenyl mannoside
    37377
    PNB
    DB08409    		 8 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c16-
    12(14-8-13(17)18)2-1-7-24
    (21,22)23-9-10-3-5-11(6-4
    -10)15(19)20/h3-6H,1-2,7-
    9H2,(H,14,16)(H,17,18)(H,
    21,22);
    LNMNPGKCSJFAGN-UHFFFAOYSA-N    		 c1cc(ccc1COP(=O)(CCCC(=O)NCC(=O)O)O)[N+]
    (=O)[O-]; O=C(O)CNC(=O)CCCP(=O)(OCc1ccc(
    cc1)[N+]([O-])=O)O; c1cc(ccc1CO[P@](=O)(
    CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]; OC(=O)C
    NC(=O)CCC[P](O)(=O)OCc1ccc(cc1)[N+]([O-]
    )=O; OC(=O)CNC(=O)CCC[P@@](O)(=O)OCc1ccc
    (cc1)[N+]([O-])=O    		 4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE
    37378
    PNC
    DB08410
    ZINC000002043202    		 2 C14 H17 N3 O6 InChI=1S/C14H17N3O6/c18-1
    2(2-1-3-13(19)16-9-14(20)
    21)15-8-10-4-6-11(7-5-10)
    17(22)23/h4-7H,1-3,8-9H2,
    (H,15,18)(H,16,19)(H,20,2
    1);
    UCFVFUIGNWHAJJ-UHFFFAOYSA-N    		 OC(=O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O
    -])=O; O=C(O)CNC(=O)CCCC(=O)NCc1ccc(cc1)
    [N+]([O-])=O; c1cc(ccc1CNC(=O)CCCC(=O)NC
    C(=O)O)[N+](=O)[O-]    		 PARA-NITROBENZYL GLUTARYL GLYCINIC ACID
    37379
    PND
    ZINC000003860923    		 2 C6 H7 N3 O2 InChI=1S/C6H7N3O2/c7-8-5-
    1-3-6(4-2-5)9(10)11/h1-4,
    8H,7H2;
    KMVPXBDOWDXXEN-UHFFFAOYSA-N    		 c1cc(ccc1NN)[N+](=O)[O-]; NNc1ccc(cc1)[N
    +]([O-])=O; [O-][N+](=O)c1ccc(NN)cc1    		 P-NITROPHENYLHYDRAZINE
    37380
    PNE
    DB08411
    ZINC000006491491    		 2 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c1-9
    (13(17)18)14-12(16)3-2-8-
    24(21,22)23-11-6-4-10(5-7
    -11)15(19)20/h4-7,9H,2-3,
    8H2,1H3,(H,14,16)(H,17,18
    )(H,21,22)/t9-/m1/s1;
    KBXXIYHMPQZHCH-SECBINFHSA-N    		 O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)N
    C(C(=O)O)C; C[CH](NC(=O)CCC[P](O)(=O)Oc1
    ccc(cc1)[N+]([O-])=O)C(O)=O; C[C@@H](NC(
    =O)CCC[P@](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
    )C(O)=O; CC(C(=O)O)NC(=O)CCCP(=O)(O)Oc1c
    cc(cc1)[N+](=O)[O-]; CC(C(=O)O)NC(=O)CCC
    [P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]    		 PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE
    37381
    PNF
    DB08412
    ZINC000006536225    		 2 C16 H23 N2 O8 P InChI=1S/C16H23N2O8P/c19-
    15(17-11-3-1-2-6-16(20)21
    )5-4-12-27(24,25)26-14-9-
    7-13(8-10-14)18(22)23/h7-
    10H,1-6,11-12H2,(H,17,19)
    (H,20,21)(H,24,25);
    WYHHVZLGTMCKOR-UHFFFAOYSA-N    		 OC(=O)CCCCCNC(=O)CCC[P](O)(=O)Oc1ccc(cc1
    )[N+]([O-])=O; c1cc(ccc1[N+](=O)[O-])OP(
    =O)(CCCC(=O)NCCCCCC(=O)O)O; c1cc(ccc1[N+
    ](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)
    O)O; OC(=O)CCCCCNC(=O)CCC[P@](O)(=O)Oc1c
    cc(cc1)[N+]([O-])=O; O=P(Oc1ccc(cc1)[N+]
    ([O-])=O)(O)CCCC(=O)NCCCCCC(=O)O    		 6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
    37382
    PNG
    CHEMBL1235365
    ZINC000004282228    		 10 C12 H15 N O8 InChI=1S/C12H15NO8/c14-5-
    8-9(15)10(16)11(17)12(21-
    8)20-7-3-1-6(2-4-7)13(18)
    19/h1-4,8-12,14-17H,5H2/t
    8-,9-,10+,11-,12+/m1/s1;
    IFBHRQDFSNCLOZ-ZIQFBCGOSA-N    		 OC[C@H]1O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[
    C@H](O)[C@@H](O)[C@@H]1O; [O-][N+](=O)c2
    ccc(OC1OC(C(O)C(O)C1O)CO)cc2; c1cc(ccc1[
    N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](
    [C@H](O2)CO)O)O)O; c1cc(ccc1[N+](=O)[O-]
    )OC2C(C(C(C(O2)CO)O)O)O; OC[CH]1O[CH](Oc
    2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]
    1O    		 4-nitrophenyl alpha-D-glucopyranoside;
    4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE;
    4-nitrophenyl alpha-D-glucoside;
    4-nitrophenyl D-glucoside;
    4-nitrophenyl glucoside
    37383
    PNH
    CHEMBL45345
    ZINC000000901192    		 4 C5 H10 O InChI=1S/C5H10O/c1-3-4-5(
    2)6/h3-4H2,1-2H3;
    XNLICIUVMPYHGG-UHFFFAOYSA-N    		 O=C(C)CCC; CCCC(C)=O; CCCC(=O)C pentan-2-one
    37384
    PNI    		 0 C44 H36 N8 Ni InChI=1S/C44H36N8.Ni/c1-4
    9-21-13-29(14-22-49)41-33
    -5-7-35(45-33)42(30-15-23
    -50(2)24-16-30)37-9-11-39
    (47-37)44(32-19-27-52(4)2
    8-20-32)40-12-10-38(48-40
    )43(36-8-6-34(41)46-36)31
    -17-25-51(3)26-18-31;/h5-
    28H,1-4H3;/q-4;+4;
    KZZFAYDWICISAM-UHFFFAOYSA-N    		 c76/C(c%11n4c(/C(c1n5c(cc1)/C(=C2/C=CN(C
    =C2)C)c3ccc/9n3[Ni]45n6c(cc7)C\9=C8/C=CN
    (C=C8)C)=C%10/C=CN(C=C%10)C)cc%11)=C%12\
    C=CN(C=C%12)C; CN1C=CC(=C2c3ccc4n3[Ni]56
    n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2
    C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C
    =C1; CN1C=CC(C=C1)=C2c3ccc4n3[Ni]56n7c2c
    cc7C(=C8C=CN(C)C=C8)c9ccc(n59)C(=C%10C=C
    N(C)C=C%10)c%11ccc(n6%11)C4=C%12C=CN(C)C
    =C%12    		 TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL
    37385
    PNJ    		 4 C12 H16 N2 O7 InChI=1S/C12H16N2O7/c13-9
    -11(17)10(16)8(5-15)21-12
    (9)20-7-3-1-6(2-4-7)14(18
    )19/h1-4,8-12,15-17H,5,13
    H2/t8-,9-,10-,11-,12-/m1/
    s1;
    ZRNBGANFPXCMFT-LZQZFOIKSA-N    		 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H
    ]([C@@H]([C@H](O2)CO)O)O)N; c1cc(ccc1[N+
    ](=O)[O-])OC2C(C(C(C(O2)CO)O)O)N; N[CH]1
    [CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[
    N+]([O-])=O; N[C@@H]1[C@@H](O)[C@H](O)[C
    @@H](CO)O[C@H]1Oc2ccc(cc2)[N+]([O-])=O    		 4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside;
    PNP-BETA-D-GLUCOSAMINE;
    4-nitrophenyl 2-amino-2-deoxy-beta-D-glucoside;
    4-nitrophenyl 2-amino-2-deoxy-D-glucoside;
    4-nitrophenyl 2-amino-2-deoxy-glucoside
    37386
    PNK
    CHEMBL1235368
    ZINC000004576930    		 10 C16 H20 N2 O5 S InChI=1S/C16H20N2O5S/c1-1
    6(2)12(15(22)23)18-13(24-
    16)11(14(20)21)17-10(19)8
    -9-6-4-3-5-7-9/h3-7,11-13
    ,18H,8H2,1-2H3,(H,17,19)(
    H,20,21)(H,22,23)/t11-,12
    -,13+/m0/s1;
    HCYWNSXLUZRKJX-RWMBFGLXSA-N    		 CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)Cc2c
    cccc2)C(O)=O; CC1(C)S[C@@H](N[C@H]1C(O)=
    O)[C@H](NC(=O)Cc2ccccc2)C(O)=O; CC1(C(NC
    (S1)C(C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C; C
    C1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)
    Cc2ccccc2)C(=O)O)C; O=C(NC(C(=O)O)C1SC(C
    (N1)C(=O)O)(C)C)Cc2ccccc2    		 (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
    Penicillin, hydroxylated form
    37387
    PNL
    CHEMBL275626    		 0 C3 H6 O InChI=1/C3H6O/c1-2-3-4/h3
    H,2H2,1H3;
    NBBJYMSMWIIQGU-UHFFFAOYAZ    		 CCC=O; O=CCC PROPANAL
    37388
    PNM
    ZINC000006591277    		 49 C16 H20 N2 O4 S InChI=1S/C16H20N2O4S/c1-1
    6(2)13(15(21)22)18-14(23-
    16)11(9-19)17-12(20)8-10-
    6-4-3-5-7-10/h3-7,9,11,13
    -14,18H,8H2,1-2H3,(H,17,2
    0)(H,21,22)/t11-,13+,14-/
    m1/s1;
    OGFZUTGOGYUTKZ-KWCYVHTRSA-N    		 CC1(C(NC(S1)C(C=O)NC(=O)Cc2ccccc2)C(=O)O
    )C; CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=
    O)Cc2ccccc2)C(=O)O)C; O=C(NC(C=O)C1SC(C(
    N1)C(=O)O)(C)C)Cc2ccccc2; CC1(C)S[C@@H](
    N[C@H]1C(O)=O)[C@H](NC(=O)Cc2ccccc2)C=O;
    CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)Cc2
    ccccc2)C=O    		 OPEN FORM - PENICILLIN G
    37389
    PNN
    CHEMBL29
    DB01053
    ZINC000003871701    		 14 C16 H18 N2 O4 S InChI=1S/C16H18N2O4S/c1-1
    6(2)12(15(21)22)18-13(20)
    11(14(18)23-16)17-10(19)8
    -9-6-4-3-5-7-9/h3-7,11-12
    ,14H,8H2,1-2H3,(H,17,19)(
    H,21,22)/t11-,12+,14-/m1/
    s1;
    JGSARLDLIJGVTE-MBNYWOFBSA-N    		 CC1(C)S[CH]2[CH](NC(=O)Cc3ccccc3)C(=O)N2
    [CH]1C(O)=O; CC1(C)S[C@@H]2[C@H](NC(=O)C
    c3ccccc3)C(=O)N2[C@H]1C(O)=O; CC1(C(N2C(
    S1)C(C2=O)NC(=O)Cc3ccccc3)C(=O)O)C; CC1(
    [C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3c
    cccc3)C(=O)O)C; O=C(O)C2N3C(=O)C(NC(=O)C
    c1ccccc1)C3SC2(C)C    		 PENICILLIN G
    37390
    PNO    		 0 C H6 N O2 P InChI=1S/CH6NO2P/c1-5(2,3
    )4/h1H3,(H3,2,3,4);
    XQJNSUNTLIFUSQ-UHFFFAOYSA-N    		 O=P(O)(N)C; CP(=O)(N)O; C[P@](=O)(N)O; C
    [P@](N)(O)=O; C[P](N)(O)=O    		 P-METHYL AMINOPHOSPHINIC ACID
    37391
    PNP
    DB08413    		 8 C7 H8 N O5 P InChI=1S/C7H8NO5P/c1-14(1
    1,12)13-7-4-2-6(3-5-7)8(9
    )10/h2-5H,1H3,(H,11,12);
    VJPXTXIEAOSJBR-UHFFFAOYSA-N    		 CP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]; O=P(Oc
    1ccc(cc1)[N+]([O-])=O)(O)C; C[P@@](=O)(O
    )Oc1ccc(cc1)[N+](=O)[O-]; C[P](O)(=O)Oc1
    ccc(cc1)[N+]([O-])=O; C[P@](O)(=O)Oc1ccc
    (cc1)[N+]([O-])=O    		 METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER;
    4-NITROPHENYL HYDROGEN METHYLPHOSPHONATE
    37392
    PNQ    		 1 C8 H11 Be F3 N2 O9 P2 InChI=1S/C8H12N2O9P2.Be.3
    FH/c11-10(12)8-3-1-7(2-4-
    8)9-5-6-18-21(16,17)19-20
    (13,14)15;;;;/h1-4,9H,5-6
    H2,(H,16,17)(H2,13,14,15)
    ;;3*1H/q;+4;;;/p-4;
    VQFXKFKMXDVHLH-UHFFFAOYSA-J    		 [Be](OP(=O)(O)OP(=O)(O)OCCNc1ccc(cc1)[N+
    ](=O)[O-])(F)(F)F; O[P](=O)(OCCNc1ccc(cc
    1)[N+]([O-])=O)O[P](O)(=O)O[Be](F)(F)F;
    [Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(
    cc1)[N+](=O)[O-])(F)(F)F; O[P@](=O)(OCCN
    c1ccc(cc1)[N+]([O-])=O)O[P@@](O)(=O)O[Be
    ](F)(F)F    		 P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
    37393
    PNR
    ZINC000076945641    		 3 C22 H35 N O4 InChI=1S/C22H35NO4/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-22(24)27-21-18-16-2
    0(17-19-21)23(25)26/h16-1
    9H,2-15H2,1H3;
    LVZSQWIWCANHPF-UHFFFAOYSA-N    		 O=C(Oc1ccc(cc1)[N+]([O-])=O)CCCCCCCCCCCC
    CCC; CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]
    (=O)[O-]; CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1
    )[N+]([O-])=O    		 4-nitrophenyl hexadecanoate;
    paranitrophenyl palmitate
    37394
    PNS
    DB03912    		 232 C11 H23 N2 O7 P S InChI=1S/C11H23N2O7PS/c1-
    11(2,7-20-21(17,18)19)9(1
    5)10(16)13-4-3-8(14)12-5-
    6-22/h9,15,22H,3-7H2,1-2H
    3,(H,12,14)(H,13,16)(H2,1
    7,18,19)/t9-/m0/s1;
    JDMUPRLRUUMCTL-VIFPVBQESA-N    		 CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=
    O)NCCS; O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(
    =O)(O)O; CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=
    O)NCCS)O; CC(C)(COP(=O)(O)O)[C@H](C(=O)N
    CCC(=O)NCCS)O; CC(C)(CO[P](O)(O)=O)[CH](
    O)C(=O)NCCC(=O)NCCS    		 4'-PHOSPHOPANTETHEINE
    37395
    PNT
    CHEMBL55
    DB00738
    ZINC000001530775    		 14 C19 H24 N4 O2 InChI=1S/C19H24N4O2/c20-1
    8(21)14-4-8-16(9-5-14)24-
    12-2-1-3-13-25-17-10-6-15
    (7-11-17)19(22)23/h4-11H,
    1-3,12-13H2,(H3,20,21)(H3
    ,22,23);
    XDRYMKDFEDOLFX-UHFFFAOYSA-N    		 O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N
    @H])N)cc2; NC(=N)c1ccc(OCCCCCOc2ccc(cc2)
    C(N)=N)cc1; c1cc(ccc1C(=N)N)OCCCCCOc2ccc
    (cc2)C(=N)N    		 1,5-BIS(4-AMIDINOPHENOXY)PENTANE
    37396
    PNU
    CHEMBL280541
    DB08414    		 2 C13 H11 Cl N4 O S InChI=1S/C13H11ClN4OS/c1-
    7(20-13-17-11(14)5-12(15)
    18-13)9-4-8-2-3-19-10(8)6
    -16-9/h2-7H,1H3,(H2,15,17
    ,18)/t7-/m0/s1;
    ATCRIOJPQXDFNY-ZETCQYMHSA-N    		 CC(c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N; C[C@H
    ](Sc1nc(N)cc(Cl)n1)c2cc3ccoc3cn2; C[C@@H
    ](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N; C[CH](
    Sc1nc(N)cc(Cl)n1)c2cc3ccoc3cn2; Clc1nc(n
    c(N)c1)SC(c2ncc3occc3c2)C    		 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE
    37397
    PNV
    CHEMBL615
    DB00417
    ZINC000003831282    		 4 C16 H18 N2 O5 S InChI=1S/C16H18N2O5S/c1-1
    6(2)12(15(21)22)18-13(20)
    11(14(18)24-16)17-10(19)8
    -23-9-6-4-3-5-7-9/h3-7,11
    -12,14H,8H2,1-2H3,(H,17,1
    9)(H,21,22)/t11-,12+,14-/
    m1/s1;
    BPLBGHOLXOTWMN-MBNYWOFBSA-N    		 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)
    COc3ccccc3)C(=O)O)C; CC1(C)S[CH]2[CH](NC
    (=O)COc3ccccc3)C(=O)N2[CH]1C(O)=O; CC1(C
    (N2C(S1)C(C2=O)NC(=O)COc3ccccc3)C(=O)O)C
    ; c1c(cccc1)OCC(NC2C(N3C2SC(C)(C)C3C(=O)
    O)=O)=O; CC1(C)S[C@@H]2[C@H](NC(=O)COc3c
    cccc3)C(=O)N2[C@H]1C(O)=O    		 (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID;
    PENICILLIN V
    37398
    PNW
    CHEMBL152723
    ZINC000004028812    		 4 C12 H15 N O8 InChI=1S/C12H15NO8/c14-5-
    8-9(15)10(16)11(17)12(21-
    8)20-7-3-1-6(2-4-7)13(18)
    19/h1-4,8-12,14-17H,5H2/t
    8-,9-,10+,11-,12-/m1/s1;
    IFBHRQDFSNCLOZ-RMPHRYRLSA-N    		 [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)c
    c2; c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H](
    [C@H]([C@@H]([C@H](O2)CO)O)O)O; OC[C@H]1
    O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)
    [C@@H](O)[C@@H]1O; c1cc(ccc1[N+](=O)[O-]
    )OC2C(C(C(C(O2)CO)O)O)O; OC[CH]1O[CH](Oc
    2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]
    1O    		 4-nitrophenyl beta-D-glucopyranoside;
    4'-NITROPHENYL-BETA-D-GLUCOPYRANOSIDE;
    4-nitrophenyl beta-D-glucoside;
    4-nitrophenyl D-glucoside;
    4-nitrophenyl glucoside
    37399
    PNX
    CHEMBL628
    DB00806
    ZINC000001530776    		 19 C13 H18 N4 O3 InChI=1S/C13H18N4O3/c1-9(
    18)6-4-5-7-17-12(19)10-11
    (14-8-15(10)2)16(3)13(17)
    20/h8H,4-7H2,1-3H3;
    BYPFEZZEUUWMEJ-UHFFFAOYSA-N    		 Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12; O
    =C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)C)C; CC(=
    O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C    		 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE;
    PENTOXIFYLLINE
    37400
    PNY
    CHEMBL1738861
    ZINC000003869684    		 8 C11 H22 N2 O4 S InChI=1S/C11H22N2O4S/c1-1
    1(2,7-14)9(16)10(17)13-4-
    3-8(15)12-5-6-18/h9,14,16
    ,18H,3-7H2,1-2H3,(H,12,15
    )(H,13,17)/t9-/m0/s1;
    ZNXZGRMVNNHPCA-VIFPVBQESA-N    		 CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCS; CC(C)
    (CO)[C@H](C(=O)NCCC(=O)NCCS)O; CC(C)(CO)
    [C@@H](O)C(=O)NCCC(=O)NCCS; CC(C)(CO)C(C
    (=O)NCCC(=O)NCCS)O; O=C(NCCS)CCNC(=O)C(O
    )C(C)(C)CO    		 (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide;
    pantetheine;
    (R)-2,4-Dihydroxy-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethylbutanamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).