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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    17201 CN3
    ZINC000098208749    		 0 C36 H68 O17 P2 InChI=1S/C36H68O17P2/c1-5
    -9-11-13-15-16-18-19-22-3
    4(39)47-27-32(53-36(41)23
    -20-17-14-12-10-6-2)29-51
    -55(44,45)49-25-30(37)24-
    48-54(42,43)50-28-31(26-4
    6-33(38)8-4)52-35(40)21-7
    -3/h30-32,37H,5-29H2,1-4H
    3,(H,42,43)(H,44,45)/t30-
    ,31-,32-/m1/s1;
    FMNZIMGRZPIVKW-XWHIBYANSA-N    		 CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)
    (O)OCC(COC(=O)CC)OC(=O)CCC)O)OC(=O)CCCCC
    CCC; CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(
    O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(=O
    )CC)OC(=O)CCC)O)OC(=O)CCCCCCCC; CCCCCCCC
    CCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO
    [P@](O)(=O)OC[C@@H](COC(=O)CC)OC(=O)CCC)
    OC(=O)CCCCCCCC; O=C(OC(COP(=O)(OCC(O)COP
    (=O)(O)OCC(OC(=O)CCC)COC(=O)CC)O)COC(=O)
    CCCCCCCCCC)CCCCCCCC; CCCCCCCCCCC(=O)OC[C
    H](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[C
    H](COC(=O)CC)OC(=O)CCC)OC(=O)CCCCCCCC    		 (2R,5S,11R,14R)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate;
    CARDIOLIPIN
    17202 CN4
    CHEMBL4166074    		 4 C30 H32 F3 N3 O3 S InChI=1S/C30H32F3N3O3S/c3
    1-22-10-6-20(7-11-22)27(2
    1-8-12-23(32)13-9-21)17-3
    0(37)35-29-5-1-4-28(33)26
    (29)15-14-25-18-34-24-3-2
    -16-40(38,39)36(25)19-24/
    h1,4-13,24-25,27,34H,2-3,
    14-19H2,(H,35,37)/t24-,25
    +/m1/s1;
    AXPVBKYLWIKBKW-RPBOFIJWSA-N    		 c1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(
    =O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F
    ; c1cc(c(c(c1)F)CCC2CNC3CCCS(=O)(=O)N2C3
    )NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F; C1C(N
    2CC(N1)CCCS2(=O)=O)CCc3c(F)cccc3NC(=O)CC
    (c4ccc(cc4)F)c5ccc(cc5)F; Fc1ccc(cc1)C(C
    C(=O)Nc2cccc(F)c2CC[CH]3CN[CH]4CCC[S](=O
    )(=O)[N]3C4)c5ccc(F)cc5; Fc1ccc(cc1)C(CC
    (=O)Nc2cccc(F)c2CC[C@H]3CN[C@@H]4CCC[S](
    =O)(=O)[N@]3C4)c5ccc(F)cc5    		 N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
    17203 CN5
    ZINC000058631942    		 11 C26 H52 O13 P2 InChI=1S/C26H52O13P2/c1-3
    -4-5-6-7-8-9-10-11-12-13-
    14-17-26(29)35-19-16-21-3
    7-41(32,33)39-23-25(28)22
    -38-40(30,31)36-20-15-18-
    34-24(2)27/h25,28H,3-23H2
    ,1-2H3,(H,30,31)(H,32,33)
    /t25-/m0/s1;
    UKWPDXFRXMWSMQ-VWLOTQADSA-N    		 CCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC(COP(
    =O)(O)OCCCOC(=O)C)O; O=C(OCCCOP(=O)(OCC(
    O)COP(=O)(O)OCCCOC(=O)C)O)CCCCCCCCCCCCCC
    ; CCCCCCCCCCCCCCC(=O)OCCCO[P](O)(=O)OC[C
    H](O)CO[P](O)(=O)OCCCOC(C)=O; CCCCCCCCCC
    CCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](
    =O)(O)OCCCOC(=O)C)O; CCCCCCCCCCCCCCC(=O)
    OCCCO[P@@](O)(=O)OC[C@@H](O)CO[P@@](O)(=
    O)OCCCOC(C)=O    		 (5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate;
    CARDIOLIPIN
    17204 CN6
    ZINC000098208750    		 0 C31 H58 O17 P2 InChI=1S/C31H58O17P2/c1-5
    -9-10-11-12-13-14-15-18-2
    9(34)42-22-27(48-31(36)17
    -7-3)24-46-50(39,40)44-20
    -25(32)19-43-49(37,38)45-
    23-26(21-41-28(33)8-4)47-
    30(35)16-6-2/h25-27,32H,5
    -24H2,1-4H3,(H,37,38)(H,3
    9,40)/t25-,26-,27-/m1/s1;
    OCYQEYZGHKBQOW-ZONZVBGPSA-N    		 CCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OC[
    C@H](O)CO[P@@](O)(=O)OC[C@@H](COC(=O)CC)
    OC(=O)CCC)OC(=O)CCC; CCCCCCCCCCC(=O)OCC(
    COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CC)OC
    (=O)CCC)O)OC(=O)CCC; CCCCCCCCCCC(=O)OC[C
    @H](CO[P@](=O)(O)OC[C@@H](CO[P@](=O)(O)O
    C[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC;
    CCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH
    ](O)CO[P](O)(=O)OC[CH](COC(=O)CC)OC(=O)C
    CC)OC(=O)CCC; O=C(OC(COP(=O)(OCC(O)COP(=
    O)(O)OCC(OC(=O)CCC)COC(=O)CCCCCCCCCC)O)C
    OC(=O)CC)CCC    		 (2R,5R,11S,14R)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
    17205 CN7
    CHEMBL3417694
    ZINC000143977927    		 1 C35 H36 N2 O4 InChI=1S/C35H36N2O4/c1-25
    -9-2-4-12-27(25)29-14-7-1
    5-30-31(16-8-22-41-32-17-
    6-11-26-10-3-5-13-28(26)3
    2)34(35(38)39)37(33(29)30
    )19-18-36-20-23-40-24-21-
    36/h2-7,9-15,17H,8,16,18-
    24H2,1H3,(H,38,39);
    ZFODCXXHTZVRJL-UHFFFAOYSA-N    		 Cc1ccccc1c2cccc3c(CCCOc4cccc5ccccc45)c(n
    (CCN6CCOCC6)c23)C(O)=O; c1ccc(c(c1)C)c2c
    5c(ccc2)c(CCCOc4cccc3ccccc34)c(C(O)=O)n5
    CCN6CCOCC6; Cc1ccccc1c2cccc3c2n(c(c3CCCO
    c4cccc5c4cccc5)C(=O)O)CCN6CCOCC6    		 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid
    17206 CN8
    ZINC000213028450    		 5 C22 H32 N8 O3 S InChI=1S/C22H32N8O3S/c1-3
    -24-21(32)19-10-15(12-26-
    19)27-22(33)18(23-2)11-16
    -13-30(29-28-16)9-8-25-20
    (31)14-4-6-17(34)7-5-14/h
    4-7,13,15,18-19,23,26,34H
    ,3,8-12H2,1-2H3,(H,24,32)
    (H,25,31)(H,27,33)/t15-,1
    8-,19-/m0/s1;
    VTNMGGUGQYETGZ-SNRMKQJTSA-N    		 CCNC(=O)[C@@H]1C[C@@H](CN1)NC(=O)[C@H](C
    c2cn(nn2)CCNC(=O)c3ccc(cc3)S)NC; CCNC(=O
    )[CH]1C[CH](CN1)NC(=O)[CH](Cc2cn(CCNC(=O
    )c3ccc(S)cc3)nn2)NC; CCNC(=O)[C@@H]1C[C@
    @H](CN1)NC(=O)[C@H](Cc2cn(CCNC(=O)c3ccc(
    S)cc3)nn2)NC; CCNC(=O)C1CC(CN1)NC(=O)C(C
    c2cn(nn2)CCNC(=O)c3ccc(cc3)S)NC; O=C(NCC
    )C3NCC(NC(=O)C(NC)Cc1nnn(c1)CCNC(=O)c2cc
    c(S)cc2)C3    		 (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide
    17207 CN9
    CHEMBL12014
    ZINC000006069162    		 2 C12 H10 N2 InChI=1S/C12H10N2/c1-8-12
    -10(6-7-13-8)9-4-2-3-5-11
    (9)14-12/h2-7,14H,1H3;
    PSFDQSOCUJVVGF-UHFFFAOYSA-N    		 Cc1c2c(ccn1)c3ccccc3[nH]2; Cc1nccc2c3ccc
    cc3[NH]c21; Cc1nccc2c1[nH]c3ccccc23    		 1-methyl-9H-pyrido[3,4-b]indole;
    harmane
    17208 CNA
    CHEMBL5220997
    DB02498
    ZINC000024666703    		 32 C22 H30 N7 O13 P2 InChI=1S/C22H29N7O13P2/c2
    3-19-14-21(26-8-25-19)29(
    9-27-14)22-18(33)17(32)13
    (41-22)7-40-44(37,38)42-4
    3(35,36)39-6-11-4-12(16(3
    1)15(11)30)28-3-1-2-10(5-
    28)20(24)34/h1-3,5,8-9,11
    -13,15-18,22,30-33H,4,6-7
    H2,(H5-,23,24,25,26,34,35
    ,36,37,38)/p+1/t11-,12-,1
    3-,15-,16+,17-,18-,22-/m1
    /s1;
    DGPLSUKWXXSBCU-VGXGLJSLSA-O    		 O=C(N)c1ccc[n+](c1)C2CC(C(O)C2O)COP(=O)(
    O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C
    5O; c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([
    C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@
    H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(
    =O)N; NC(=O)c1ccc[n+](c1)[CH]2C[CH](CO[P
    ](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[
    CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; c1
    cc(c[n+](c1)C2CC(C(C2O)O)COP(=O)(O)OP(=O
    )(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)C(=O
    )N; NC(=O)c1ccc[n+](c1)[C@@H]2C[C@H](CO[
    P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H]
    (O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C
    @H]2O    		 CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE
    17209 CNB 4 Fe3 H8 O11 InChI=1S/3Fe.8H2O.3O/h;;;
    8*1H2;;;/q+2;2*+3;;;;;;;;
    ;;;/p-8;
    HGBUJFYYDTXMPV-UHFFFAOYSA-F    		 O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O;
    O[Fe]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O)O1
    ; O[Fe@@]1(O)O[Fe](O)(O)(O)O[Fe](O)(O)(O
    )O1    		 OXO-IRON CLUSTER 1
    17210 CNC 59 C63 H89 Co N14 O14 P InChI=1S/C62H90N13O14P.CN
    .Co/c1-29-20-39-40(21-30(
    29)2)75(28-70-39)57-52(84
    )53(41(27-76)87-57)89-90(
    85,86)88-31(3)26-69-49(83
    )18-19-59(8)37(22-46(66)8
    0)56-62(11)61(10,25-48(68
    )82)36(14-17-45(65)79)51(
    74-62)33(5)55-60(9,24-47(
    67)81)34(12-15-43(63)77)3
    8(71-55)23-42-58(6,7)35(1
    3-16-44(64)78)50(72-42)32
    (4)54(59)73-56;1-2;/h20-2
    1,23,28,31,34-37,41,52-53
    ,56-57,76,84H,12-19,22,24
    -27H2,1-11H3,(H15,63,64,6
    5,66,67,68,69,71,72,73,74
    ,77,78,79,80,81,82,83,85,
    86);;/q;;+3/p-1/t31-,34-,
    35-,36-,37+,41-,52-,53-,5
    6?,57+,59-,60+,61+,62+;;/
    m1../s1;
    SYZBZQWSWIJYAR-UVKKECPRSA-M    		 C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2
    [N]([Co++]C#N)C1=C(C)C3=NC(=CC4=NC(=C(C)
    C5=N[C]2(C)[C](C)(CC(N)=O)[CH]5CCC(N)=O)
    [C](C)(CC(N)=O)[CH]4CCC(N)=O)C(C)(C)[CH]
    3CCC(N)=O)O[P](O)(=O)O[CH]6[CH](O)[CH](O
    [CH]6CO)n7cnc8cc(C)c(C)cc78; C[C@H](CNC(
    =O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N@@](
    [Co++]C#N)C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N
    [C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O
    )[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C
    )[C@@H]3CCC(N)=O)O[P](O)(=O)O[C@H]6[C@@H
    ](O)[C@H](O[C@@H]6CO)n7cnc8cc(C)c(C)cc78
    ; NC(=O)CC1(C)C2=C(C)C=3C(CCC(N)=O)C(C)(
    CC(N)=O)C4(C)N=3[Co+2]35(C#N)N2=C(C=C2n3
    c(C(CCC(N)=O)C2(C)C)c(C)c2n5C4C(CC(N)=O)
    C2(C)CCC(=O)NCC(C)OP(=O)(O)OC2C(CO)OC(n3
    cnc4cc(C)c(C)cc43)C2O)C1CCC(N)=O; Cc1cc2
    c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C
    )CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89(
    N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)C(C2CCC(
    =O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)C#N)
    CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O; Cc1cc
    2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H]
    (O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C
    @@]4([C@H](C5[C@]6([C@@]([C@@H](C7=[N]6[
    Co+2]89(N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)
    [C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C([C@@H
    ]1CCC(=O)N)(C)C)C)C#N)CCC(=O)N)(C)CC(=O)
    N)C)CC(=O)N)C)O    		 CYANOCOBALAMIN
    17211 CND
    CHEMBL1231859
    DB03020
    ZINC000049771855    		 2 C21 H27 N7 O14 P2 InChI=1S/C21H27N7O14P2/c2
    2-18-12-20(26-6-25-18)28(
    7-27-12)21-16(32)14(30)11
    (41-21)5-39-44(36,37)42-4
    3(34,35)38-4-10-13(29)15(
    31)17(40-10)8-1-9(19(23)3
    3)3-24-2-8/h1-3,6-7,10-11
    ,13-17,21,29-32H,4-5H2,(H
    2,23,33)(H,34,35)(H,36,37
    )(H2,22,25,26)/t10-,11-,1
    3-,14-,15-,16-,17+,21-/m1
    /s1;
    UINNILASBHZOTM-KMXXXSRASA-N    		 c1c(c[nH+]cc1C(=O)N)C2C(C(C(O2)COP(=O)([
    O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N
    )O)O)O)O; NC(=O)c1c[nH+]cc(c1)[CH]2O[CH]
    (CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH](
    [CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[C
    H]2O; c1c(c[nH+]cc1C(=O)N)[C@H]2[C@@H]([
    C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O
    )OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4
    ncnc5N)O)O)O)O; NC(=O)c1c[nH+]cc(c1)[C@@
    H]2O[C@H](CO[P]([O-])(=O)O[P](O)(=O)OC[C
    @H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)nc
    nc45)[C@@H](O)[C@H]2O    		 5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDE
    17212 CNE
    CHEMBL81038
    ZINC000026494159    		 2 C31 H36 Cl F N2 O8 S InChI=1S/C31H36ClFN2O8S/c
    1-5-43-26-11-9-19(10-12-2
    9(40)42-4)13-20(26)14-27(
    37)35-30(18(2)3)31(41)34-
    24(15-28(38)39)25(36)17-4
    4-16-21-22(32)7-6-8-23(21
    )33/h6-13,18,24,30H,5,14-
    17H2,1-4H3,(H,34,41)(H,35
    ,37)(H,38,39)/b12-10+/t24
    -,30-/m0/s1;
    BBHZJDWNUYJWFP-FSJABKHUSA-N    		 CCOc1ccc(\C=C\C(=O)OC)cc1CC(=O)N[C@@H](C
    (C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2c(F)
    cccc2Cl; CCOc1ccc(cc1CC(=O)N[C@@H](C(C)C
    )C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2c(cccc2C
    l)F)\C=C\C(=O)OC; CCOc1ccc(C=CC(=O)OC)cc
    1CC(=O)N[CH](C(C)C)C(=O)N[CH](CC(O)=O)C(
    =O)CSCc2c(F)cccc2Cl; Clc1cccc(F)c1CSCC(=
    O)C(NC(=O)C(NC(=O)Cc2cc(\C=C\C(=O)OC)ccc
    2OCC)C(C)C)CC(=O)O; CCOc1ccc(cc1CC(=O)NC
    (C(C)C)C(=O)NC(CC(=O)O)C(=O)CSCc2c(cccc2
    Cl)F)C=CC(=O)OC    		 (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID
    17213 CNF 1 Fe3 H9 O12 InChI=1S/3Fe.9H2O.3O/h;;;
    9*1H2;;;/q+2;+3;+4;;;;;;;
    ;;;;;/p-9;
    IYMKJKNVMFFAIB-UHFFFAOYSA-E    		 O[Fe]1(O[Fe]2(O1[Fe](O2)(O)(O)(O)O)(O)O)
    (O)O; O[Fe]1(O[Fe]2([O@@]1[Fe](O2)(O)(O)
    (O)O)(O)O)(O)O; O[Fe](O)(O)O[Fe]1(O)(O)O
    [Fe](O)(O)(O)(O)O1    		 OXO-IRON CLUSTER 3
    17214 CNG 0 C10 H19 N O2 InChI=1S/C10H19NO2/c12-10
    (13)8-11-9-6-4-2-1-3-5-7-
    9/h9,11H,1-8H2,(H,12,13);
    PNKNDNFLQNMQJL-UHFFFAOYSA-N    		 OC(=O)CNC1CCCCCCC1; C1CCCC(CCC1)NCC(=O)O
    ; O=C(O)CNC1CCCCCCC1    		 N-cyclooctylglycine
    17215 CNH
    CHEMBL1231861
    DB02203
    ZINC000008217842    		 23 C4 H7 N O InChI=1S/C4H7NO/c1-4(2,6)
    3-5/h6H,1-2H3;
    MWFMGBPGAXYFAR-UHFFFAOYSA-N    		 CC(C)(O)C#N; CC(C)(C#N)O; N#CC(O)(C)C 2-HYDROXY-2-METHYLPROPANENITRILE;
    ACETONE CYANOHYDRIN
    17216 CNI
    CHEMBL9790
    ZINC000084403475    		 15 C9 H2 N4 O4 InChI=1S/C9H2N4O4/c10-3-4
    -1-5-6(2-7(4)13(16)17)12-
    9(15)8(14)11-5/h1-2H;
    IAWXTSMHXFRLQR-UHFFFAOYSA-N    		 [O-][N+](=O)C=1C(C#N)=CC2=NC(=O)C(=O)N=C
    2C=1; [O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2
    C=C1C#N; C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N
    +](=O)[O-])C#N    		 7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile
    17217 CNK
    CHEMBL4164542    		 1 C18 H19 N3 O5 InChI=1S/C18H19N3O5/c22-8
    -12-13(23)14(24)15(25)16(
    26-12)18-19-17(20-21-18)1
    1-7-3-5-9-4-1-2-6-10(9)11
    /h1-7,12-16,22-25H,8H2,(H
    ,19,20,21)/t12-,13-,14+,1
    5-,16-/m1/s1;
    UGWCMNZLMGJTJS-IBEHDNSVSA-N    		 c1ccc2c(c1)cccc2c3[nH]c(nn3)C4C(C(C(C(O4
    )CO)O)O)O; OC[C@H]1O[C@H]([C@H](O)[C@@H]
    (O)[C@@H]1O)c2[nH]c(nn2)c3cccc4ccccc34;
    OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]
    c(nn2)c3cccc4ccccc34; c1ccc2c(c1)cccc2c3
    [nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H
    ](O4)CO)O)O)O    		 (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
    17218 CNL
    CHEMBL1231862
    DB03852    		 7 C10 H18 O InChI=1S/C10H18O/c1-9(2)8
    -4-6-10(3,11-9)7-5-8/h8H,
    4-7H2,1-3H3/t8-,10+;
    WEEGYLXZBRQIMU-WAAGHKOSSA-N    		 CC1(C2CCC(O1)(CC2)C)C; CC12CCC(CC1)C(C)(
    C)O2; O2C1(CCC(CC1)C2(C)C)C    		 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE;
    1,8-CINEOLE
    17219 CNM 0 C2 H5 N O InChI=1/C2H5NO/c1-2(3)4/h
    1H3,(H2,3,4)/f/h3H2;
    DLFVBJFMPXGRIB-ZZOWFUDICC    		 O=C(N)C; CC(N)=O; CC(=O)N ACETAMIDE
    17220 CNN
    CHEMBL56279
    DB02679    		 8 C H2 N2 InChI=1S/CH2N2/c2-1-3/h2H
    2;
    XZMCDFZZKTWFGF-UHFFFAOYSA-N    		 NC#N; C(#N)N; N#CN CYANAMIDE
    17221 CNO
    ZINC000015628816    		 7 C30 H32 N2 O8 InChI=1S/C30H32N2O8/c1-29
    (2,27(35)36)39-23-12-8-19
    (9-13-23)16-25(33)31-21-6
    -5-7-22(18-21)32-26(34)17
    -20-10-14-24(15-11-20)40-
    30(3,4)28(37)38/h5-15,18H
    ,16-17H2,1-4H3,(H,31,33)(
    H,32,34)(H,35,36)(H,37,38
    );
    QRJRPWUABHMWAG-UHFFFAOYSA-N    		 O=C(O)C(Oc1ccc(cc1)CC(=O)Nc2cccc(c2)NC(=
    O)Cc3ccc(OC(C(=O)O)(C)C)cc3)(C)C; CC(C)(
    C(=O)O)Oc1ccc(cc1)CC(=O)Nc2cccc(c2)NC(=O
    )Cc3ccc(cc3)OC(C)(C)C(=O)O; CC(C)(Oc1ccc
    (CC(=O)Nc2cccc(NC(=O)Cc3ccc(OC(C)(C)C(O)
    =O)cc3)c2)cc1)C(O)=O    		 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID
    17222 CNP
    DB01716
    ZINC000005884139    		 1 C14 H23 N O8 InChI=1S/C14H23NO8/c1-3-4
    -14(13(21)22)5-8(18)10(15
    -7(2)17)12(23-14)11(20)9(
    19)6-16/h3,8-12,16,18-20H
    ,1,4-6H2,2H3,(H,15,17)(H,
    21,22)/t8-,9+,10+,11+,12+
    ,14+/m0/s1;
    IUGVDRFIVSPVGO-KXEMTNKZSA-N    		 O=C(O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)
    C\C=C; CC(=O)NC1C(CC(OC1C(C(CO)O)O)(CC=C
    )C(=O)O)O; CC(=O)N[C@@H]1[C@@H](O)C[C@@]
    (CC=C)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O;
    CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]
    ([C@@H](CO)O)O)(CC=C)C(=O)O)O; CC(=O)N[C
    H]1[CH](O)C[C](CC=C)(O[CH]1[CH](O)[CH](O
    )CO)C(O)=O    		 2-propenyl-N-acetyl-neuraminic acid;
    2-PROPENYL-N-ACETYL-NEURAMIC ACID
    17223 CNQ
    DB03509
    ZINC000001489510    		 8 C15 H10 Cl N3 O InChI=1S/C15H10ClN3O/c16-
    10-6-4-9(5-7-10)13-8-18-1
    2-3-1-2-11(15(17)20)14(12
    )19-13/h1-8H,(H2,17,20);
    FLYGLPYJEQPCFY-UHFFFAOYSA-N    		 NC(=O)c1cccc2ncc(nc12)c3ccc(Cl)cc3; c1cc
    (c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N; Clc3
    ccc(c1nc2c(cccc2nc1)C(=O)N)cc3    		 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE;
    2-(4-CHLOROPHENYL)-5-QUINOXALINECARBOXAMIDE
    17224 CNR
    ZINC000002034501    		 4 C3 H5 Cl O2 InChI=1S/C3H5ClO2/c1-2(4)
    3(5)6/h2H,1H3,(H,5,6)/t2-
    /m0/s1;
    GAWAYYRQGQZKCR-REOHCLBHSA-N    		 C[C@@H](C(=O)O)Cl; C[CH](Cl)C(O)=O; C[C@
    H](Cl)C(O)=O; ClC(C(=O)O)C; CC(C(=O)O)Cl    		 (2S)-2-CHLOROPROPANOIC ACID;
    2-MONOCHLOROPRAPANATE
    17225 CNS
    ZINC000014880345    		 3 C24 H48 O2 InChI=1S/C24H48O2/c1-3-5-
    7-9-10-11-12-13-14-15-16-
    17-19-21-23-26-24(25)22-2
    0-18-8-6-4-2/h3-23H2,1-2H
    3;
    DWMMZQMXUWUJME-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCOC(=O)CCCCCCC; O=C(OCCCC
    CCCCCCCCCCCC)CCCCCCC    		 HEXADECYL OCTANOATE
    17226 CNT
    ZINC000058638604    		 0 C10 H12 Cl N O3 InChI=1S/C10H12ClNO3/c1-1
    2-8(10(14)15)5-6-2-3-9(13
    )7(11)4-6/h2-4,8,12-13H,5
    H2,1H3,(H,14,15)/t8-/m0/s
    1;
    OSKAMZCUXJHCPJ-QMMMGPOBSA-N    		 CNC(Cc1ccc(c(c1)Cl)O)C(=O)O; CN[C@@H](Cc
    1ccc(O)c(Cl)c1)C(O)=O; CN[C@@H](Cc1ccc(c
    (c1)Cl)O)C(=O)O; Clc1cc(ccc1O)CC(C(=O)O)
    NC; CN[CH](Cc1ccc(O)c(Cl)c1)C(O)=O    		 N-METHYL-META-CHLORO-TYROSINE;
    N-METHYL-3-CHLORO-TYROSINE
    17227 CNU
    CHEMBL1164065
    ZINC000049802347    		 12 C10 H12 N3 O9 P InChI=1S/C10H12N3O9P/c11-
    1-4-2-13(10(17)12-8(4)16)
    9-7(15)6(14)5(22-9)3-21-2
    3(18,19)20/h2,5-7,9,14-15
    H,3H2,(H,12,16,17)(H2,18,
    19,20)/t5-,6-,7-,9-/m1/s1;
    BUHKUGLYORHFNN-JXOAFFINSA-N    		 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(
    O)=O)N2C=C(C#N)C(=O)NC2=O; C1=C(C(=O)NC(
    =O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O
    )(O)O)O)O)C#N; N#CC=1C(=O)NC(=O)N(C=1)C2
    OC(C(O)C2O)COP(=O)(O)O; C1=C(C(=O)NC(=O)
    N1C2C(C(C(O2)COP(=O)(O)O)O)O)C#N; O[CH]1
    [CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C#
    N)C(=O)NC2=O    		 5-CYANO-URIDINE-5'-MONOPHOSPHATE;
    5-cyano-UMP;
    5-cyanouridine 5'-(dihydrogen phosphate)
    17228 CNV
    CHEMBL15871
    ZINC000006072456    		 7 C3 H5 N InChI=1S/C3H5N/c1-2-3-4/h
    2H2,1H3;
    FVSKHRXBFJPNKK-UHFFFAOYSA-N    		 CCC#N; N#CCC propanenitrile
    17229 CNW
    CHEMBL1305980
    ZINC000000347561    		 0 C14 H16 N2 O3 InChI=1S/C14H16N2O3/c1-3-
    16(4-2)10-6-5-9-7-11(13(1
    5)17)14(18)19-12(9)8-10/h
    5-8H,3-4H2,1-2H3,(H2,15,1
    7);
    IFINBKWRDJSEGA-UHFFFAOYSA-N    		 CCN(CC)c1ccc2C=C(C(N)=O)C(=O)Oc2c1; CCN(
    CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N    		 7-diethylamino-2-oxo-chromene-3-carboxamide
    17230 CNX
    CHEMBL1231869
    ZINC000001577185    		 4 C7 H13 N InChI=1S/C7H13N/c1-2-3-4-
    5-6-7-8/h2-6H2,1H3;
    SDAXRHHPNYTELL-UHFFFAOYSA-N    		 N#CCCCCCC; CCCCCCC#N heptanenitrile;
    1-cyanohexane
    17231 CNY
    ZINC000098208752    		 0 C23 H44 N6 O12 InChI=1S/C23H44N6O12/c24-
    2-7-13(31)15(33)10(28)21(
    36-7)40-19-9-4-29-11-16(3
    4)14(32)8(3-25)37-22(11)3
    9-18-6(27)1-5(26)12(30)20
    (18)41-23(38-9)17(19)35/h
    5-23,29-35H,1-4,24-28H2/t
    5-,6+,7+,8-,9-,10-,11-,12
    +,13-,14-,15-,16-,17-,18-
    ,19-,20-,21-,22-,23+/m1/s
    1;
    DXIORKRGAWCDSD-LSWIJEOBSA-N    		 C1[C@H]([C@@H]([C@@H]2[C@@H]([C@H]1N)O[C
    @@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O
    )NC[C@@H]4[C@H]([C@H]([C@@H](O4)O2)O)O[C
    @@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)
    O)N)O)N; C1C(C(C2C(C1N)OC3C(C(C(C(O3)CN)
    O)O)NCC4C(C(C(O4)O2)O)OC5C(C(C(C(O5)CN)O
    )O)N)O)N; NC[CH]1O[CH](O[CH]2[CH](O)[CH]
    3O[CH]2CN[CH]4[CH](O)[CH](O)[CH](CN)O[CH
    ]4O[CH]5[CH](N)C[CH](N)[CH](O)[CH]5O3)[C
    H](N)[CH](O)[CH]1O; O1C(CN)C(O)C(O)C2NCC
    5OC(OC3C(OC12)C(N)CC(N)C3O)C(O)C5OC4OC(C
    N)C(O)C(O)C4N; NC[C@@H]1O[C@H](O[C@H]2[C
    @@H](O)[C@H]3O[C@@H]2CN[C@@H]4[C@@H](O)[
    C@H](O)[C@@H](CN)O[C@@H]4O[C@@H]5[C@@H](
    N)C[C@@H](N)[C@H](O)[C@H]5O3)[C@H](N)[C@
    @H](O)[C@@H]1O    		 13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-TETRAHYDROXYHEXADECAHYDRO-2H-7,10-EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE;
    CYCLIC NEOMYCIN
    17232 CNZ 3 C24 H28 N3 O7 S InChI=1S/C24H27N3O7S/c25-
    18(24(33)34)10-11-21(29)2
    7-19(23(32)26-12-22(30)31
    )13-35-14-20(28)17-8-6-16
    (7-9-17)15-4-2-1-3-5-15/h
    1-9,18-19H,10-14,25H2,(H,
    26,32)(H,27,29)(H,30,31)(
    H,33,34)/p+1/t18-,19-/m0/
    s1;
    JIZFTRGOFNRYSA-OALUTQOASA-O    		 [NH3+][C@@H](CCC(=O)N[C@@H](CSCC(=O)c1cc
    c(cc1)c2ccccc2)C(=O)NCC(O)=O)C(O)=O; [NH
    3+][CH](CCC(=O)N[CH](CSCC(=O)c1ccc(cc1)c
    2ccccc2)C(=O)NCC(O)=O)C(O)=O; c1ccc(cc1)
    c2ccc(cc2)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)
    CCC(C(=O)O)[NH3+]; c1ccc(cc1)c2ccc(cc2)C
    (=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@
    H](C(=O)O)[NH3+]    		 L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine
    17233 CO
    DB14205    		 2706 Co InChI=1S/Co/q+2;
    XLJKHNWPARRRJB-UHFFFAOYSA-N    		 [Co+2]; [Co++] COBALT (II) ION
    17234 CO0
    ZINC000031333535    		 4 C17 H14 N2 O2 InChI=1S/C17H14N2O2/c1-19
    -15(11-12-7-3-2-4-8-12)16
    (20)18-14-10-6-5-9-13(14)
    17(19)21/h2-11H,1H3,(H,18
    ,20)/b15-11-;
    FYVKHLSOIIPVEH-PTNGSMBKSA-N    		 CN1C(=O)c2ccccc2NC(=O)C1=Cc3ccccc3; CN1C
    (=Cc2ccccc2)C(=O)Nc3ccccc3C1=O; CN1/C(=C
    \c2ccccc2)/C(=O)Nc3ccccc3C1=O; CN1C(=O)c
    2ccccc2NC(=O)\C1=C\c3ccccc3    		 (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione
    17235 CO1
    CHEMBL434302    		 5 C27 H44 O2 InChI=1S/C27H44O2/c1-17(6
    -11-24-25(2,3)29-24)21-9-
    10-22-20-8-7-18-16-19(28)
    12-14-26(18,4)23(20)13-15
    -27(21,22)5/h7,17,19-24,2
    8H,6,8-16H2,1-5H3/t17-,19
    +,20+,21-,22+,23+,24+,26+
    ,27-/m1/s1;
    OSENKJZWYQXHBN-XVYZBDJZSA-N    		 CC(CCC1C(O1)(C)C)C2CCC3C2(CCC4C3CC=C5C4(
    CCC(C5)O)C)C; OC4CC3=CCC5C2C(C(C(CCC1OC1
    (C)C)C)CC2)(C)CCC5C3(C)CC4; C[CH](CC[CH]
    1OC1(C)C)[CH]2CC[CH]3[CH]4CC=C5C[CH](O)C
    C[C]5(C)[CH]4CC[C]23C; C[C@H](CC[C@@H]1O
    C1(C)C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H]
    (O)CC[C@]5(C)[C@H]4CC[C@]23C; C[C@H](CC[
    C@H]1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[
    C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C    		 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL;
    24,25(S)-EPOXYCHOLESTEROL
    17236 CO2
    CHEMBL1231871
    DB09157    		 16 C O2 InChI=1S/CO2/c2-1-3;
    CURLTUGMZLYLDI-UHFFFAOYSA-N    		 C(=O)=O; O=C=O CARBON DIOXIDE
    17237 CO3
    DB14531    		 851 C O3 InChI=1S/CH2O3/c2-1(3)4/h
    (H2,2,3,4)/p-2;
    BVKZGUZCCUSVTD-UHFFFAOYSA-L    		 C(=O)([O-])[O-]; [O-]C([O-])=O CARBONATE ION
    17238 CO4
    CHEMBL50514
    DB02104
    ZINC000012501589    		 2 C19 H24 N6 O3 InChI=1S/C19H24N6O3/c1-10
    -11(8-22-18-15(10)17(20)2
    3-19(21)24-18)9-25(2)12-6
    -13(26-3)16(28-5)14(7-12)
    27-4/h6-8H,9H2,1-5H3,(H4,
    20,21,22,23,24);
    PEGMMEYCSOZKIT-UHFFFAOYSA-N    		 n1cc(c(c2c1nc(nc2N)N)C)CN(c3cc(OC)c(OC)c
    (OC)c3)C; COc1cc(cc(OC)c1OC)N(C)Cc2cnc3n
    c(N)nc(N)c3c2C; Cc1c(cnc2c1c(nc(n2)N)N)C
    [N@@](C)c3cc(c(c(c3)OC)OC)OC; Cc1c(cnc2c
    1c(nc(n2)N)N)CN(C)c3cc(c(c(c3)OC)OC)OC    		 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE
    17239 CO5 0 Co H10 O5 InChI=1/Co.5H2O/h;5*1H2/q
    +3;;;;;/rCoH10O5/c2-1(3,4
    ,5)6/h2-6H2/q+3;
    WQCLVHOOOMCSBJ-CALKMUIRAC    		 [OH2][Co+3]([OH2])([OH2])([OH2])[OH2]; O
    |[Co+3](|O)(|O)(|O)|O    		 COBALT ION,5 WATERS COORDINATED
    17240 CO6 14 C25 H42 N7 O17 P3 S InChI=1S/C25H42N7O17P3S/c
    1-13(2)24(37)53-8-7-27-15
    (33)5-6-28-22(36)19(35)25
    (3,4)10-46-52(43,44)49-51
    (41,42)45-9-14-18(48-50(3
    8,39)40)17(34)23(47-14)32
    -12-31-16-20(26)29-11-30-
    21(16)32/h11-14,17-19,23,
    34-35H,5-10H2,1-4H3,(H,27
    ,33)(H,28,36)(H,41,42)(H,
    43,44)(H2,26,29,30)(H2,38
    ,39,40)/t14-,17-,18-,19+,
    23-/m1/s1;
    AEWHYWSPVRZHCT-NDZSKPAWSA-N    		 CC(C)C(=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; CC(C)C(=O)SCCNC(=O)CCNC(=O)[CH
    ](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; O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(
    C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc
    12)N)C(O)C3OP(=O)(O)O)C(C)C; CC(C)C(=O)S
    CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O
    )(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)
    (O)O)O; CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H
    ](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@
    H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)
    O)OP(=O)(O)O)O    		 ISOBUTYRYL-COENZYME A;
    IB-CO6
    17241 CO7
    ZINC000197047138    		 1 C25 H40 N7 O17 P3 S InChI=1S/C25H40N7O17P3S/c
    1-4-5-16(34)53-9-8-27-15(
    33)6-7-28-23(37)20(36)25(
    2,3)11-46-52(43,44)49-51(
    41,42)45-10-14-18(35)19(4
    8-50(38,39)40)24(47-14)32
    -13-31-17-21(26)29-12-30-
    22(17)32/h4-5,12-14,18-20
    ,24,35-36H,6-11H2,1-3H3,(
    H,27,33)(H,28,37)(H,41,42
    )(H,43,44)(H2,26,29,30)(H
    2,38,39,40)/b5-4+/t14-,18
    -,19-,20+,24-/m1/s1;
    BOZMQGABFDQJEL-PAXLJYGASA-N    		 O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(
    O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(
    =O)(O)O)C3O)/C=C/C; CC=CC(=O)SCCNC(=O)CC
    NC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(
    =O)OC[CH]1O[CH]([CH](O[P](O)(O)=O)[CH]1O
    )n2cnc3c(N)ncnc23; C/C=C/C(=O)SCCNC(=O)C
    CNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@
    ](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n
    2cnc3c2ncnc3N)OP(=O)(O)O)O)O; CC=CC(=O)S
    CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O
    )(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)OP(=O)(O
    )O)O)O; C\C=C\C(=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[P](O)(O)=O)[C@@H]1O)n2c
    nc3c(N)ncnc23
    17242 CO8
    DB02910
    ZINC000096014975    		 54 C29 H50 N7 O17 P3 S InChI=1S/C29H50N7O17P3S/c
    1-4-5-6-7-8-9-20(38)57-13
    -12-31-19(37)10-11-32-27(
    41)24(40)29(2,3)15-50-56(
    47,48)53-55(45,46)49-14-1
    8-23(52-54(42,43)44)22(39
    )28(51-18)36-17-35-21-25(
    30)33-16-34-26(21)36/h16-
    18,22-24,28,39-40H,4-15H2
    ,1-3H3,(H,31,37)(H,32,41)
    (H,45,46)(H,47,48)(H2,30,
    33,34)(H2,42,43,44)/t18-,
    22-,23-,24+,28-/m1/s1;
    KQMZYOXOBSXMII-CECATXLMSA-N    		 CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO
    P(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2nc
    nc3N)O)OP(=O)(O)O)O; O=C(SCCNC(=O)CCNC(=
    O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n
    2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCC
    ; CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(
    C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[
    C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP
    (=O)(O)O)O; CCCCCCCC(=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; CCCCCCCC(=O)SCCN
    C(=O)CCNC(=O)[CH](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    		 OCTANOYL-COENZYME A
    17243 CO9
    CHEMBL393164    		 1 C22 H25 N5 O5 InChI=1S/C22H25N5O5/c1-12
    (23)20-26-17(11-32-20)21(
    29)27-8-4-7-18(27)19(28)2
    5-16(22(30)31)9-13-10-24-
    15-6-3-2-5-14(13)15/h2-3,
    5-6,10-12,16,18,24H,4,7-9
    ,23H2,1H3,(H,25,28)(H,30,
    31)/t12-,16-,18-/m0/s1;
    FBRCDLGEWAXPMI-IWEFOYFVSA-N    		 C[C@@H](c1nc(co1)C(=O)N2CCC[C@H]2C(=O)N[
    C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)N; O=C(c1
    nc(oc1)C(N)C)N4C(C(=O)NC(C(=O)O)Cc3c2ccc
    cc2nc3)CCC4; C[CH](N)c1occ(n1)C(=O)N2CCC
    [CH]2C(=O)N[CH](Cc3c[nH]c4ccccc34)C(O)=O
    ; CC(c1nc(co1)C(=O)N2CCCC2C(=O)NC(Cc3c[n
    H]c4c3cccc4)C(=O)O)N; C[C@H](N)c1occ(n1)
    C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c
    cccc34)C(O)=O    		 1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL-4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN
    17244 COA
    CHEMBL1213327
    DB01992
    ZINC000008551087    		 2239 C21 H36 N7 O16 P3 S InChI=1S/C21H36N7O16P3S/c
    1-21(2,16(31)19(32)24-4-3
    -12(29)23-5-6-48)8-41-47(
    38,39)44-46(36,37)40-7-11
    -15(43-45(33,34)35)14(30)
    20(42-11)28-10-27-13-17(2
    2)25-9-26-18(13)28/h9-11,
    14-16,20,30-31,48H,3-8H2,
    1-2H3,(H,23,29)(H,24,32)(
    H,36,37)(H,38,39)(H2,22,2
    5,26)(H2,33,34,35)/t11-,1
    4-,15-,16+,20-/m1/s1;
    RGJOEKWQDUBAIZ-IBOSZNHHSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCS)O; CC(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@@H](O)C(=O)NCCC(
    =O)NCCS; CC(C)(CO[P@](=O)(O)O[P@@](=O)(O
    )OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2
    ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N
    CCS)O; CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[C
    H]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3
    c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS; O=C
    (NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O
    )(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)
    (O)O    		 COENZYME A
    17245 COB 27 C63 H91 Co N13 O14 P InChI=1S/C62H88N13O14P.CH
    3.Co/c1-29-20-39-40(21-30
    (29)2)75(28-70-39)57-52(8
    4)53(41(27-76)87-57)89-90
    (85,86)88-31(3)26-69-49(8
    3)18-19-59(8)37(22-46(66)
    80)56-62(11)61(10,25-48(6
    8)82)36(14-17-45(65)79)51
    (74-62)33(5)55-60(9,24-47
    (67)81)34(12-15-43(63)77)
    38(71-55)23-42-58(6,7)35(
    13-16-44(64)78)50(72-42)3
    2(4)54(59)73-56;;/h20-21,
    23,28,31,34-37,41,52-53,5
    7,76,84H,12-19,22,24-27H2
    ,1-11H3,(H2,63,77)(H2,64,
    78)(H2,65,79)(H2,66,80)(H
    2,67,81)(H2,68,82)(H,69,8
    3)(H,85,86);1H3;/q;;+1/b4
    2-23-,54-32-,55-33-;;/t31
    -,34-,35-,36-,37+,41-,52-
    ,53-,57+,59-,60+,61+,62+;
    ;/m1../s1;
    BMOGZGJBQIUQJG-BYLSPCLQSA-N    		 Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H](
    [C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O
    )CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+
    2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[
    C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H
    ]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC
    (=O)N)C)C)CC(=O)N)C)O; C[Co++]|12|3|N4=C
    5C=C6N|1=C([CH](CCC(N)=O)C6(C)C)C(=C7[N-
    ]2=C([CH](CC(N)=O)[C]7(C)CCC(=O)NC[CH](C
    )O[P](O)(=O)O[CH]8[CH](O)[CH](O[CH]8CO)n
    9cnc%10cc(C)c(C)cc9%10)[C]%11(C)N|3=C([C
    H](CCC(N)=O)[C]%11(C)CC(N)=O)C(=C4[C](C)
    (CC(N)=O)[CH]5CCC(N)=O)C)C; Cc1cc2c(cc1C
    )n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=
    O)CCC4(C(C5=[N-]6C4=C(C7=[N]8[Co+2]69([N
    ]1=C(C=C8C(C7CCC(=O)N)(C)C)C(C(C1=C(C1=[
    N]9C5(C(C1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(
    =O)N)CCC(=O)N)C)C)CC(=O)N)C)O; C[Co++]|1
    2|3|N4=C5C=C6N|1=C([C@@H](CCC(N)=O)C6(C)
    C)C(=C7[N@@-]2=C([C@H](CC(N)=O)[C@@]7(C)
    CCC(=O)NC[C@@H](C)O[P](O)(=O)O[C@H]8[C@@
    H](O)[C@H](O[C@@H]8CO)n9cnc%10cc(C)c(C)c
    c9%10)[C@]%11(C)N|3=C([C@@H](CCC(N)=O)[C
    @]%11(C)CC(N)=O)C(=C4[C@@](C)(CC(N)=O)[C
    @@H]5CCC(N)=O)C)C    		 CO-METHYLCOBALAMIN
    17246 COC
    CHEMBL370805
    DB00907
    ZINC000003875336    		 15 C17 H21 N O4 InChI=1S/C17H21NO4/c1-18-
    12-8-9-13(18)15(17(20)21-
    2)14(10-12)22-16(19)11-6-
    4-3-5-7-11/h3-7,12-15H,8-
    10H2,1-2H3/t12-,13+,14-,1
    5+/m0/s1;
    ZPUCINDJVBIVPJ-LJISPDSOSA-N    		 CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)OC;
    COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)O
    C(=O)c3ccccc3; COC(=O)[CH]1[CH](C[CH]2CC
    [CH]1N2C)OC(=O)c3ccccc3; C[N@]1[C@H]2CC[
    C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O
    )OC; O=C(OC)C3C1N(C)C(CC1)CC3OC(=O)c2ccc
    cc2    		 COCAINE
    17247 COD
    DB03170
    ZINC000008551261    		 50 C21 H35 N7 O13 P2 S InChI=1S/C21H35N7O13P2S/c
    1-21(2,16(32)19(33)24-4-3
    -12(29)23-5-6-44)8-39-43(
    36,37)41-42(34,35)38-7-11
    -14(30)15(31)20(40-11)28-
    10-27-13-17(22)25-9-26-18
    (13)28/h9-11,14-16,20,30-
    32,44H,3-8H2,1-2H3,(H,23,
    29)(H,24,33)(H,34,35)(H,3
    6,37)(H2,22,25,26)/t11-,1
    4-,15-,16+,20-/m1/s1;
    KDTSHFARGAKYJN-IBOSZNHHSA-N    		 CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H
    ]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O
    )O)[C@H](C(=O)NCCC(=O)NCCS)O; CC(C)(CO[P
    ](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[
    CH]1O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(
    =O)NCCS; CC(C)(CO[P@](O)(=O)O[P@](O)(=O)
    OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(
    N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCS; CC(
    C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc
    3c2ncnc3N)O)O)C(C(=O)NCCC(=O)NCCS)O; O=C
    (NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O
    )(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O    		 DEPHOSPHO COENZYME A
    17248 COE 0 C20 H22 N6 O6 InChI=1/C20H22N6O6/c1-26(
    8-11-9-32-18-15(11)16(21)
    24-20(22)25-18)12-4-2-10(
    3-5-12)17(29)23-13(19(30)
    31)6-7-14(27)28/h2-5,9,13
    H,6-8H2,1H3,(H,23,29)(H,2
    7,28)(H,30,31)(H4,21,22,2
    4,25)/t13-/m0/s1/f/h23,27
    ,30H,21-22H2;
    WXINNGCGSCFUCR-DUSIDQMFDW    		 O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2c3c(nc(nc
    3oc2)N)N)CCC(=O)O; C[N@](Cc1coc2c1c(nc(n
    2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(
    =O)O; CN(Cc1coc2nc(N)nc(N)c12)c3ccc(cc3)
    C(=O)N[CH](CCC(O)=O)C(O)=O; CN(Cc1coc2c1
    c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C
    (=O)O; CN(Cc1coc2nc(N)nc(N)c12)c3ccc(cc3
    )C(=O)N[C@@H](CCC(O)=O)C(O)=O    		 FURO[2,3D]PYRIMIDINE ANTIFOLATE
    17249 COF
    DB01969
    ZINC000195757942    		 3 C24 H37 F3 N7 O17 P3 S InChI=1S/C24H37F3N7O17P3S
    /c1-23(2,18(38)21(39)30-4
    -3-14(36)29-5-6-55-8-13(3
    5)24(25,26)27)9-48-54(45,
    46)51-53(43,44)47-7-12-17
    (50-52(40,41)42)16(37)22(
    49-12)34-11-33-15-19(28)3
    1-10-32-20(15)34/h10-12,1
    6-18,22,37-38H,3-9H2,1-2H
    3,(H,29,36)(H,30,39)(H,43
    ,44)(H,45,46)(H2,28,31,32
    )(H2,40,41,42)/t12-,16-,1
    7-,18+,22-/m1/s1;
    XDIQTPZOIIYCTR-GRFIIANRSA-N    		 CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]
    1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)
    OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)
    C(F)(F)F)O; CC(C)(CO[P](O)(=O)O[P](O)(=O
    )OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n
    2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS
    CC(=O)C(F)(F)F; CC(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@@H](O)C(=
    O)NCCC(=O)NCCSCC(=O)C(F)(F)F; FC(F)(F)C(
    =O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(
    O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C
    3OP(=O)(O)O; CC(C)(COP(=O)(O)OP(=O)(O)OC
    C1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C
    (C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O    		 TRIFLUOROACETONYL COENZYME A
    17250 COG
    CHEMBL325434
    DB02427
    ZINC000002047759    		 1 C18 H21 N5 O2 InChI=1S/C18H21N5O2/c1-23
    (10-11-8-13(24-2)5-7-16(1
    1)25-3)12-4-6-15-14(9-12)
    17(19)22-18(20)21-15/h4-9
    H,10H2,1-3H3,(H4,19,20,21
    ,22);
    YBJANOUTWRTBDK-UHFFFAOYSA-N    		 COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c
    1; n3c1c(cc(cc1)N(Cc2cc(OC)ccc2OC)C)c(nc
    3N)N; CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc
    (n3)N)N    		 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE
    17251 COH 76 C34 H32 Co N4 O4 InChI=1S/C34H34N4O4.Co/c1
    -7-21-17(3)25-13-26-19(5)
    23(9-11-33(39)40)31(37-26
    )16-32-24(10-12-34(41)42)
    20(6)28(38-32)15-30-22(8-
    2)18(4)27(36-30)14-29(21)
    35-25;/h7-8,13-16H,1-2,9-
    12H2,3-6H3,(H4,35,36,37,3
    8,39,40,41,42);/q;+2/p-2/
    b25-13-,26-13-,27-14-,28-
    15-,29-14-,30-15-,31-16-,
    32-16-;;
    AQTFKGDWFRRIHR-RGGAHWMASA-L    		 Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]
    36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=
    C2)C=C)C)C)CCC(=O)O; CC1=C(CCC(O)=O)C2=C
    c3n4[Co][N@@]5C(=CC1=N2)C(=C(C=C)C5=CC6=
    NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C; CC1=
    C(CCC(O)=O)C2=Cc3n4[Co][N]5C(=CC1=N2)C(=
    C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6
    C)C=C)C    		 PROTOPORPHYRIN IX CONTAINING CO
    17252 COI
    CHEMBL445647
    DB03229
    ZINC000001532578    		 25 C6 H10 O3 InChI=1S/C6H10O3/c1-4(2)3
    -5(7)6(8)9/h4H,3H2,1-2H3,
    (H,8,9);
    BKAJNAXTPSGJCU-UHFFFAOYSA-N    		 O=C(C(=O)O)CC(C)C; CC(C)CC(=O)C(=O)O; CC
    (C)CC(=O)C(O)=O    		 2-OXO-4-METHYLPENTANOIC ACID;
    alpha-ketoisocaproic acid
    17253 COJ
    ZINC000263620777    		 1 C45 H60 N4 O14 InChI=1S/C45H60N4O14/c1-2
    1-36-24(10-13-30(52)53)41
    (3,4)28(47-36)18-27-23(9-
    12-29(50)51)43(6,19-34(60
    )61)39(46-27)22(2)37-25(1
    1-14-31(54)55)44(7,20-35(
    62)63)45(8,49-37)40-26(17
    -33(58)59)42(5,38(21)48-4
    0)16-15-32(56)57/h18,23-2
    6,40,49H,9-17,19-20H2,1-8
    H3,(H,50,51)(H,52,53)(H,5
    4,55)(H,56,57)(H,58,59)(H
    ,60,61)(H,62,63)/b27-18-,
    36-21-,37-22-/t23-,24+,25
    -,26+,40-,42-,43+,44+,45+
    /m1/s1;
    MYMATQFDUQLSCD-ZPZWDRINSA-N    		 CC1=C2N[C](C)([CH]3N=C(C(=C4N=C(C=C5N=C1
    [C](C)(CC(O)=O)[CH]5CCC(O)=O)C(C)(C)[CH]
    4CCC(O)=O)C)[C](C)(CCC(O)=O)[CH]3CC(O)=O
    )[C](C)(CC(O)=O)[CH]2CCC(O)=O; C/C/1=C/2
    \[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@]
    (C(=N3)/C(=C\4/[C@@H](C(C(=N4)\C=C/5\[C@
    H]([C@](C1=N5)(C)CC(=O)O)CCC(=O)O)(C)C)C
    CC(=O)O)/C)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=
    O)O)CCC(=O)O; C\C1=C/2N[C@@](C)([C@@H]3N
    =C(/C(=C/4N=C(\C=C5/N=C1[C@@](C)(CC(O)=O
    )[C@@H]5CCC(O)=O)C(C)(C)[C@H]/4CCC(O)=O)
    C)[C@](C)(CCC(O)=O)[C@H]3CC(O)=O)[C@@](C
    )(CC(O)=O)[C@@H]/2CCC(O)=O; CC1=C2C(C(C(
    N2)(C3C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C
    1=N5)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O)C
    )(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O
    )O    		 HYDROGENOBYRINIC ACID
    17254 COK
    ZINC000195819504    		 4 C23 H40 N7 O17 P3 S2 InChI=1S/C23H40N7O17P3S2/
    c1-23(2,18(34)21(35)26-4-
    3-14(32)25-5-7-51-52-8-6-
    31)10-44-50(41,42)47-49(3
    9,40)43-9-13-17(46-48(36,
    37)38)16(33)22(45-13)30-1
    2-29-15-19(24)27-11-28-20
    (15)30/h11-13,16-18,22,31
    ,33-34H,3-10H2,1-2H3,(H,2
    5,32)(H,26,35)(H,39,40)(H
    ,41,42)(H2,24,27,28)(H2,3
    6,37,38)/t13-,16-,17-,18+
    ,22-/m1/s1;
    MQCDRNSLNTXXSJ-ZSJPKINUSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCSSCCO)O; O=C(NCCSSCCO)CCNC(=O)C(O)C(
    C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(n
    cnc12)N)C(O)C3OP(=O)(O)O; CC(C)(CO[P@@](
    =O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H](
    [C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C
    @H](C(=O)NCCC(=O)NCCSSCCO)O; CC(C)(CO[P]
    (O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[C
    H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)
    C(=O)NCCC(=O)NCCSSCCO; CC(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@@H](O
    )C(=O)NCCC(=O)NCCSSCCO    		 [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE;
    S-(THIOETHYLHYDROXY)COENZYME A
    17255 COL
    CHEMBL139423
    DB02072
    ZINC000003591081    		 1 C10 H9 N O5 S2 InChI=1S/C10H9NO5S2/c12-7
    (10(15)16)11-8-6(9(13)14)
    4-1-2-17-3-5(4)18-8/h1-3H
    2,(H,11,12)(H,13,14)(H,15
    ,16);
    ZPDVRWNOCOREGF-UHFFFAOYSA-N    		 OC(=O)C(=O)Nc1sc2CSCCc2c1C(O)=O; C1CSCc2
    c1c(c(s2)NC(=O)C(=O)O)C(=O)O; O=C(O)C(=O
    )Nc1sc2c(c1C(=O)O)CCSC2    		 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]THIOPYRAN-3-CARBOXYLIC ACID
    17256 COM
    CHEMBL1098319
    DB09110
    ZINC000003831040    		 159 C2 H6 O3 S2 InChI=1S/C2H6O3S2/c3-7(4,
    5)2-1-6/h6H,1-2H2,(H,3,4,
    5);
    ZNEWHQLOPFWXOF-UHFFFAOYSA-N    		 O[S](=O)(=O)CCS; C(CS(=O)(=O)O)S; O=S(=O
    )(O)CCS    		 1-THIOETHANESULFONIC ACID
    17257 CON 0 Co H12 N4 InChI=1S/Co.4H3N/h;4*1H3/
    q+3;;;;;
    AWWXFUYNCLHXPM-UHFFFAOYSA-N    		 [NH3][Co+3]([NH3])([NH3])[NH3]; N.N.N.N.
    [Co+3]    		 COBALT TETRAAMMINE ION
    17258 COO 34 C25 H40 N7 O17 P3 S InChI=1S/C25H40N7O17P3S/c
    1-4-5-16(34)53-9-8-27-15(
    33)6-7-28-23(37)20(36)25(
    2,3)11-46-52(43,44)49-51(
    41,42)45-10-14-19(48-50(3
    8,39)40)18(35)24(47-14)32
    -13-31-17-21(26)29-12-30-
    22(17)32/h4-5,12-14,18-20
    ,24,35-36H,6-11H2,1-3H3,(
    H,27,33)(H,28,37)(H,41,42
    )(H,43,44)(H2,26,29,30)(H
    2,38,39,40)/t14-,18-,19-,
    20?,24-/m1/s1;
    KFWWCMJSYSSPSK-XBTRWLRFSA-N    		 CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=
    O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3
    N)O)OP(=O)(O)O)O; CC=CC(=O)SCCNC(=O)CCNC
    (=O)C(O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC
    [CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cn
    c3c(N)ncnc23; CC=CC(=O)SCCNC(=O)CCNC(=O)
    C(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)n
    2cnc3c(N)ncnc23; O=C(SCCNC(=O)CCNC(=O)C(
    O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc
    1c(ncnc12)N)C(O)C3OP(=O)(O)O)/C=C/C; CC=
    CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P
    @@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C
    @H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)
    O)O    		 CROTONYL COENZYME A
    17259 COP
    CHEMBL590985
    DB06178
    ZINC000003807186    		 2 C27 H27 N9 O6 InChI=1S/C27H27N9O6/c28-2
    1-20-22(36-27(29)35-21)32
    -13-16(33-20)12-31-15-9-7
    -14(8-10-15)23(37)34-19(2
    6(41)42)6-3-11-30-24(38)1
    7-4-1-2-5-18(17)25(39)40/
    h1-2,4-5,7-10,13,19,31H,3
    ,6,11-12H2,(H,30,38)(H,34
    ,37)(H,39,40)(H,41,42)(H4
    ,28,29,32,35,36)/t19-/m0/
    s1;
    NYQPLPNEESYGNO-IBGZPJMESA-N    		 Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[CH](CCCN
    C(=O)c4ccccc4C(O)=O)C(O)=O)cnc2n1; c1ccc
    (c(c1)C(=O)NCCCC(C(=O)O)NC(=O)c2ccc(cc2)
    NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O; c1ccc(c
    (c1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)c2ccc(c
    c2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O; Nc1n
    c(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCCNC(
    =O)c4ccccc4C(O)=O)C(O)=O)cnc2n1; O=C(O)c
    1ccccc1C(=O)NCCCC(C(=O)O)NC(=O)c2ccc(cc2
    )NCc3nc4c(nc3)nc(nc4N)N    		 N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID;
    PT523
    17260 COQ
    CHEMBL36245
    DB03987
    ZINC000002047758    		 1 C17 H20 N6 O2 InChI=1S/C17H20N6O2/c1-23
    (9-10-4-12(24-2)7-13(5-10
    )25-3)11-6-14-15(18)21-17
    (19)22-16(14)20-8-11/h4-8
    H,9H2,1-3H3,(H4,18,19,20,
    21,22);
    XWCCXDBXMCTZPW-UHFFFAOYSA-N    		 n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)cc(OC)c3)
    C; COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(O
    C)c1; CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3
    nc2)N)N    		 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE
    17261 COR
    CHEMBL9417
    DB07575    		 0 C17 H22 N2 O InChI=1S/C17H22N2O/c18-15
    (11-13-7-3-1-4-8-13)17(20
    )16(19)12-14-9-5-2-6-10-1
    4/h1-10,15-17,20H,11-12,1
    8-19H2/t15-,16-/m0/s1;
    GZBLEJZADHZBBZ-HOTGVXAUSA-N    		 N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](N)Cc2c
    cccc2; OC(C(N)Cc1ccccc1)C(N)Cc2ccccc2; c
    1ccc(cc1)C[C@@H](C([C@H](Cc2ccccc2)N)O)N
    ; N[CH](Cc1ccccc1)[CH](O)[CH](N)Cc2ccccc
    2; c1ccc(cc1)CC(C(C(Cc2ccccc2)N)O)N    		 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE
    17262 COS
    DB04036
    ZINC000085432299    		 17 C21 H36 N7 O16 P3 S2 InChI=1S/C21H36N7O16P3S2/
    c1-21(2,16(31)19(32)24-4-
    3-12(29)23-5-6-49-48)8-41
    -47(38,39)44-46(36,37)40-
    7-11-15(43-45(33,34)35)14
    (30)20(42-11)28-10-27-13-
    17(22)25-9-26-18(13)28/h9
    -11,14-16,20,30-31,48H,3-
    8H2,1-2H3,(H,23,29)(H,24,
    32)(H,36,37)(H,38,39)(H2,
    22,25,26)(H2,33,34,35)/t1
    1-,14-,15-,16+,20-/m1/s1;
    REVPHPVBPSIEKM-IBOSZNHHSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCSS)O; O=C(NCCSS)CCNC(=O)C(O)C(C)(C)C
    OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)
    N)C(O)C3OP(=O)(O)O; CC(C)(CO[P@](=O)(O)O
    [P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O
    1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O
    )NCCC(=O)NCCSS)O; CC(C)(CO[P](O)(=O)O[P]
    (O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(
    O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=
    O)NCCSS; CC(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@@H](O)C(=O)NCCC
    (=O)NCCSS    		 COENZYME A PERSULFIDE
    17263 COT
    DB02931
    ZINC000169320833    		 7 C33 H48 N9 O17 P3 S InChI=1S/C33H48N9O17P3S/c
    1-33(2,28(46)31(47)37-10-
    8-23(43)36-11-12-63-15-24
    (44)35-9-7-19-13-38-21-6-
    4-3-5-20(19)21)16-56-62(5
    3,54)59-61(51,52)55-14-22
    -27(58-60(48,49)50)26(45)
    32(57-22)42-18-41-25-29(3
    4)39-17-40-30(25)42/h3-6,
    13,17-18,22,26-28,32,38,4
    5-46H,7-12,14-16H2,1-2H3,
    (H,35,44)(H,36,43)(H,37,4
    7)(H,51,52)(H,53,54)(H2,3
    4,39,40)(H2,48,49,50)/t22
    -,26-,27-,28+,32-/m1/s1;
    ZRDQFWRSRPZOSQ-GMHMEAMDSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O; CC(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)nc
    nc23)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NCC
    c4c[nH]c5ccccc45; CC(C)(CO[P](O)(=O)O[P]
    (O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(
    O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=
    O)NCCSCC(=O)NCCc4c[nH]c5ccccc45; CC(C)(C
    O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]
    ([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)
    (O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c
    [nH]c5c4cccc5)O; O=C(NCCc2c1ccccc1nc2)CS
    CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(
    =O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5OP(=
    O)(O)O    		 COA-S-ACETYL TRYPTAMINE
    17264 COU
    CHEMBL6466
    DB04665
    ZINC000000074709    		 19 C9 H6 O2 InChI=1S/C9H6O2/c10-9-6-5
    -7-3-1-2-4-8(7)11-9/h1-6H;
    ZYGHJZDHTFUPRJ-UHFFFAOYSA-N    		 c1ccc2c(c1)C=CC(=O)O2; O=C2Oc1ccccc1C=C2
    ; O=C1Oc2ccccc2C=C1    		 COUMARIN;
    2H-1-BENZOPYRAN-2-ONE
    17265 COV
    ZINC000024979918    		 1 C28 H44 O4 InChI=1S/C28H44O4/c1-18-2
    1(13-22(29)14-24(18)30)9-
    8-20-7-6-12-27(4)23(20)10
    -11-25(27)28(5)16-19(17-3
    2-28)15-26(2,3)31/h8-9,19
    ,22-25,29-31H,1,6-7,10-17
    H2,2-5H3/b20-8+,21-9-/t19
    -,22+,23-,24-,25-,27-,28-
    /m0/s1;
    QFEREDUWILIRPI-VCQGKADLSA-N    		 CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2C4(C
    C(CO4)CC(C)(C)O)C; C[C@]12CCC/C(=C\C=C/3
    \C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H
    ]2[C@@]4(C[C@@H](CO4)CC(C)(C)O)C; OC(CC1
    CC(OC1)(C)C4CCC3\C(=C\C=C2/C(=C)C(O)CC(O
    )C2)CCCC34C)(C)C; CC(C)(O)C[CH]1CO[C](C)
    (C1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](
    O)C[CH](O)C4=C; CC(C)(O)C[C@@H]1CO[C@@](
    C)(C1)[C@H]2CC[C@H]3C(/CCC[C@]23C)=C/C=C
    4/C[C@@H](O)C[C@H](O)C4=C    		 (1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol
    17266 COW
    ZINC000096077638    		 2 C28 H41 N8 O17 P3 S InChI=1S/C28H41N8O17P3S/c
    1-28(2,22(39)25(40)32-8-7
    -18(37)31-9-10-57-27(41)1
    5-5-3-4-6-16(15)29)12-50-
    56(47,48)53-55(45,46)49-1
    1-17-21(52-54(42,43)44)20
    (38)26(51-17)36-14-35-19-
    23(30)33-13-34-24(19)36/h
    3-6,13-14,17,20-22,26,38-
    39H,7-12,29H2,1-2H3,(H,31
    ,37)(H,32,40)(H,45,46)(H,
    47,48)(H2,30,33,34)(H2,42
    ,43,44)/t17-,20-,21-,22+,
    26-/m1/s1;
    XLURBJBQJZCJHJ-TYHXJLICSA-N    		 CC(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)n2cnc3
    c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=
    O)c4ccccc4N; CC(C)(COP(=O)(O)OP(=O)(O)OC
    C1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C
    (C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O; CC(C
    )(CO[P@@](=O)(O)O[P@@](=O)(O)OCC1[C@H]([
    C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O
    )O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N
    )O; CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1
    O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N
    )ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4c
    cccc4N; O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)
    COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12
    )N)C(O)C3OP(=O)(O)O)c4ccccc4N    		 Anthraniloyl-coenzyme A
    17267 COX
    CHEMBL865
    DB00580
    ZINC000000006694    		 1 C16 H14 N2 O3 S InChI=1S/C16H14N2O3S/c1-1
    1-15(12-7-9-14(10-8-12)22
    (17,19)20)16(18-21-11)13-
    5-3-2-4-6-13/h2-10H,1H3,(
    H2,17,19,20);
    LNPDTQAFDNKSHK-UHFFFAOYSA-N    		 Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O
    ; O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3
    ; Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O
    )N    		 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE;
    VALDECOXIB
    17268 COY 12 C72 H106 Co N18 O14 P InChI=1S/C62H92N13O14P.C1
    0H14N5.Co/c1-29-20-39-40(
    21-30(29)2)75(28-70-39)57
    -52(84)53(41(27-76)87-57)
    89-90(85,86)88-31(3)26-69
    -49(83)18-19-59(8)37(22-4
    6(66)80)56-62(11)61(10,25
    -48(68)82)36(14-17-45(65)
    79)51(74-62)33(5)55-60(9,
    24-47(67)81)34(12-15-43(6
    3)77)38(71-55)23-42-58(6,
    7)35(13-16-44(64)78)50(72
    -42)32(4)54(59)73-56;1-2-
    3-4-5-15-7-14-8-9(11)12-6
    -13-10(8)15;/h20-21,23,28
    ,31,34-37,41-42,52-57,76,
    84H,12-19,22,24-27H2,1-11
    H3,(H2,63,77)(H2,64,78)(H
    2,65,79)(H2,66,80)(H2,67,
    81)(H2,68,82)(H,69,83)(H,
    85,86);6-7H,1-5H2,(H2,11,
    12,13);/q-4;;+5/b38-23-,5
    0-32-,51-33-;;/t31-,34-,3
    5-,36-,37+,41-,42+,52-,53
    -,54+,55+,56-,57+,59-,60+
    ,61+,62+;;/m1../s1;
    KWGNLVVAVJCVFN-OGKXECBZSA-N    		 Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H](
    [C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O
    )CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H
    ](C7=C([C@H]8[C@@]([C@@H](C9=CC1C([C@@H]
    (C2=C(C4[N-]5[Co+2](N89)(N12)(N76)CCCCCn
    1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(
    C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)
    N)C)O; C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=
    O)[CH]2[N-][CH]1C(=C3[CH](CCC(N)=O)C(C)(
    C)[CH]4C=C5[CH](CCC(N)=O)[C](C)(CC(N)=O)
    [CH]6[N]5[Co++](CCCCCn7cnc8c(N)ncnc78)([
    N]34)[N]9C(=C6C)[CH](CCC(N)=O)[C](C)(CC(
    N)=O)[C]29C)C)O[P](O)(=O)O[CH]%10[CH](O)
    [CH](O[CH]%10CO)n%11cnc%12cc(C)c(C)cc%11
    %12; Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP
    (=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(
    C8C(C(C9=CC1C(C(C2=C(C4[N-]5[Co+2](N12)(
    N89)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)
    (C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)C
    C(=O)N)C)CC(=O)N)C)O; C[C@H](CNC(=O)CC[C
    @]1(C)[C@@H](CC(N)=O)[C@H]2[N-][C@H]1C(=
    C3[C@@H](CCC(N)=O)C(C)(C)[C@@H]4C=C5[C@@
    H](CCC(N)=O)[C@](C)(CC(N)=O)[C@H]6[N@@]5
    [Co++](CCCCCn7cnc8c(N)ncnc78)([N@@]34)[N
    @@]9C(=C6C)[C@@H](CCC(N)=O)[C@](C)(CC(N)
    =O)[C@]29C)C)O[P](O)(=O)O[C@H]%10[C@@H](
    O)[C@H](O[C@@H]%10CO)n%11cnc%12cc(C)c(C)
    cc%11%12    		 CO-(ADENIN-9-YL-PENTYL)-COBALAMIN
    17269 COZ
    ZINC000008215426    		 6 C21 H36 N7 O16 P3 S InChI=1S/C21H36N7O16P3S/c
    1-21(2,16(31)19(32)24-4-3
    -12(29)23-5-6-48)8-41-47(
    38,39)44-46(36,37)40-7-11
    -15(43-45(33,34)35)14(30)
    20(42-11)28-10-27-13-17(2
    2)25-9-26-18(13)28/h9-11,
    14-16,20,30-31,48H,3-8H2,
    1-2H3,(H,23,29)(H,24,32)(
    H,36,37)(H,38,39)(H2,22,2
    5,26)(H2,33,34,35)/t11-,1
    4-,15-,16-,20-/m1/s1;
    RGJOEKWQDUBAIZ-HDCXRZRFSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCS)O; CC(C)(CO[P@](=O)(O)O[P@](=O)(O)
    OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2n
    cnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)N
    CCS)O; CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[C
    H]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3
    c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS; CC(
    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@H](O)C(=O)NCCC(=O)NCCS; O=C
    (NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O
    )(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)
    (O)O    		 COENZYME A
    17270 CP
    CHEMBL369105
    ZINC000008383183    		 99 C H4 N O5 P InChI=1S/CH4NO5P/c2-1(3)7
    -8(4,5)6/h(H2,2,3)(H2,4,5
    ,6);
    FFQKYPRQEYGKAF-UHFFFAOYSA-N    		 NC(=O)O[P](O)(O)=O; C(=O)(N)OP(=O)(O)O PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
    17271 CP0
    CHEMBL481
    DB00762
    ZINC000001612996    		 1 C33 H38 N4 O6 InChI=1S/C33H38N4O6/c1-3-
    22-23-16-21(43-32(40)36-1
    4-10-20(11-15-36)35-12-6-
    5-7-13-35)8-9-27(23)34-29
    -24(22)18-37-28(29)17-26-
    25(30(37)38)19-42-31(39)3
    3(26,41)4-2/h8-9,16-17,20
    ,41H,3-7,10-15,18-19H2,1-
    2H3/t33-/m0/s1;
    UWKQSNNFCGGAFS-XIFFEERXSA-N    		 CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=
    O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7; CCc1
    c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(
    CC6)N7CCCCC7)cc15)[C](O)(CC)C(=O)OC4; CC
    c1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CC
    C(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4
    ; O=C7OCC=6C(=O)N2C(c1nc5c(c(c1C2)CC)cc(
    OC(=O)N4CCC(N3CCCCC3)CC4)cc5)=CC=6C7(O)C
    C; CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)CO
    C(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC
    7    		 (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE;
    IRINOTECAN;
    CPT-11
    17272 CP1
    ZINC000008205019    		 0 C11 H17 N5 O4 InChI=1S/C11H17N5O4/c1-13
    -3-5-15(7-10(18)19)9(17)6
    -16-4-2-8(12)14-11(16)20/
    h2,4,13H,3,5-7H2,1H3,(H,1
    8,19)(H2,12,14,20);
    SITVQMZVKMJCIJ-UHFFFAOYSA-N    		 CNCCN(CC(O)=O)C(=O)CN1C=CC(=NC1=O)N; O=C
    1N=C(C=CN1CC(=O)N(CC(=O)O)CCNC)N; CNCCN(
    CC(=O)O)C(=O)CN1C=CC(=NC1=O)N    		 2-(METHYLAMINO)-ETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE
    17273 CP2
    ZINC000001591799    		 3 C3 H6 Cl2 InChI=1S/C3H6Cl2/c1-3(5)2
    -4/h3H,2H2,1H3/t3-/m0/s1;
    KNKRKFALVUDBJE-VKHMYHEASA-N    		 ClCC(Cl)C; C[C@H](Cl)CCl; C[C@@H](CCl)Cl
    ; CC(CCl)Cl; C[CH](Cl)CCl    		 1,2-DICHLORO-PROPANE
    17274 CP3
    CHEMBL1231891
    DB04461
    ZINC000004096059    		 4 C36 H44 N4 O8 InChI=1S/C36H44N4O8/c1-17
    -21(5-9-33(41)42)29-14-27
    -19(3)22(6-10-34(43)44)30
    (39-27)15-28-20(4)24(8-12
    -36(47)48)32(40-28)16-31-
    23(7-11-35(45)46)18(2)26(
    38-31)13-25(17)37-29/h37-
    40H,5-16H2,1-4H3,(H,41,42
    )(H,43,44)(H,45,46)(H,47,
    48);
    NIUVHXTXUXOFEB-UHFFFAOYSA-N    		 Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4
    c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)CCC(=O)O
    )CCC(=O)O)C)CCC(=O)O)C; Cc1c2Cc3[nH]c(Cc
    4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC(O)=O)c(C)
    c5CCC(O)=O)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C
    ; O=C(O)CCc1c(c5nc1Cc2c(c(c(n2)Cc3nc(c(c
    3CCC(=O)O)C)Cc4nc(c(c4C)CCC(=O)O)C5)CCC(
    =O)O)C)C    		 COPROPORPHYRINOGEN III
    17275 CP4
    CHEMBL434025
    DB02089
    ZINC000012501572    		 2 C24 H24 Cl2 N4 O4 InChI=1S/C24H24Cl2N4O4/c2
    5-17-1-3-19-15(11-17)13-2
    1(29-19)23(31)27-5-7-33-9
    -10-34-8-6-28-24(32)22-14
    -16-12-18(26)2-4-20(16)30
    -22/h1-4,11-14,29-30H,5-1
    0H2,(H,27,31)(H,28,32);
    MWWXABBBAPKJDX-UHFFFAOYSA-N    		 c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=
    O)c3cc4cc(ccc4[nH]3)Cl; Clc1cc2cc(nc2cc1
    )C(=O)NCCOCCOCCNC(=O)c4cc3cc(Cl)ccc3n4;
    Clc1ccc2[nH]c(cc2c1)C(=O)NCCOCCOCCNC(=O)
    c3[nH]c4ccc(Cl)cc4c3    		 BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL;
    CP-526423;
    1,2-BIS(2-(5-CHLOROINDOLE-2-CARBONYLAMINO)ETHOXY)ETHANE
    17276 CP5
    DB02514    		 1 C9 H6 O5 P InChI=1S/C9H7O5P/c10-9(11
    )8(6-14-15(12)13)7-4-2-1-
    3-5-7/h1-6H,(H,10,11)/p-1
    /b8-6-;
    WSMRUPUEYOBWRC-VURMDHGXSA-M    		 O=C([O-])\C(=C/OP(=O)=O)c1ccccc1; [O-]C(
    =O)C(=CO[P](=O)=O)c1ccccc1; c1ccc(cc1)/C
    (=C/OP(=O)=O)/C(=O)[O-]; [O-]C(=O)C(=C\O
    [P](=O)=O)/c1ccccc1; c1ccc(cc1)C(=COP(=O
    )=O)C(=O)[O-]    		 (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE
    17277 CP6
    CHEMBL36
    DB00205
    ZINC000000057464    		 30 C12 H13 Cl N4 InChI=1S/C12H13ClN4/c1-2-
    9-10(11(14)17-12(15)16-9)
    7-3-5-8(13)6-4-7/h3-6H,2H
    2,1H3,(H4,14,15,16,17);
    WKSAUQYGYAYLPV-UHFFFAOYSA-N    		 CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl; Clc2ccc(
    c1c(nc(nc1CC)N)N)cc2; CCc1nc(N)nc(N)c1c2
    ccc(Cl)cc2    		 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE;
    PYRIMETHAMINE
    17278 CP7
    CHEMBL22148
    DB07577
    ZINC000013282257    		 2 C12 H14 N4 InChI=1S/C12H14N4/c1-2-9-
    10(8-6-4-3-5-7-8)11(13)16
    -12(14)15-9/h3-7H,2H2,1H3
    ,(H4,13,14,15,16);
    XREDUPOVEQDQQS-UHFFFAOYSA-N    		 n1c(c(c(nc1N)N)c2ccccc2)CC; CCc1nc(N)nc(
    N)c1c2ccccc2; CCc1c(c(nc(n1)N)N)c2ccccc2    		 6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE
    17279 CP8
    DB02118    		 1 C19 H20 N2 O4 S InChI=1S/C19H20N2O4S/c1-2
    0-17-8-7-15(9-16(17)13-26
    (20,23)24)18-11-21(19(22)
    12-25-18)10-14-5-3-2-4-6-
    14/h2-9,18H,10-13H2,1H3/t
    18-/m1/s1;
    CIUMOGWIMXNXSQ-GOSISDBHSA-N    		 C[N@@]1c2ccc(cc2CS1(=O)=O)[C@H]3CN(C(=O)
    CO3)Cc4ccccc4; CN1c2ccc(cc2C[S]1(=O)=O)[
    CH]3CN(Cc4ccccc4)C(=O)CO3; O=C2N(Cc1cccc
    c1)CC(OC2)c3cc4c(cc3)N(C)S(=O)(=O)C4; CN
    1c2ccc(cc2CS1(=O)=O)C3CN(C(=O)CO3)Cc4ccc
    cc4; CN1c2ccc(cc2C[S]1(=O)=O)[C@H]3CN(Cc
    4ccccc4)C(=O)CO3    		 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID;
    CP-271485;
    (6R)-4-BENZYL-6-(1-METHYL-2,2-DIOXIDO-1,3-DIHYDRO-2,1-BENZISOTHIAZOL-5-YL)MORPHOLIN-3-ONE
    17280 CP9
    DB07578
    ZINC000000591635    		 1 C21 H16 N4 O S InChI=1S/C21H16N4OS/c1-14
    -23-17-12-22-11-10-18(17)
    25(14)16-8-6-15(7-9-16)13
    -24-19-4-2-3-5-20(19)27-2
    1(24)26/h2-12H,13H2,1H3;
    WUOLYUKMMRCXGH-UHFFFAOYSA-N    		 O=C2Sc1ccccc1N2Cc5ccc(n3c4ccncc4nc3C)cc5
    ; Cc1nc2cnccc2n1c3ccc(CN4C(=O)Sc5ccccc45
    )cc3; Cc1nc2cnccc2n1c3ccc(cc3)CN4c5ccccc
    5SC4=O    		 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE;
    CP-94,707
    17281 CPA
    CHEMBL1088749
    DB02573
    ZINC000015894754    		 6 C19 H25 N8 O9 P InChI=1S/C19H25N8O9P/c20-
    13-1-2-26(19(30)25-13)15-
    4-10(11(5-28)34-15)36-37(
    31,32)33-6-12-9(29)3-14(3
    5-12)27-8-24-16-17(21)22-
    7-23-18(16)27/h1-2,7-12,1
    4-15,28-29H,3-6H2,(H,31,3
    2)(H2,20,25,30)(H2,21,22,
    23)/t9-,10-,11+,12+,14+,1
    5+/m0/s1;
    LYWWDKIADIGKTH-IDMWBNCISA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3
    )CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO
    )N5C=CC(=NC5=O)N)O)N; NC1=NC(=O)N(C=C1)[
    CH]2C[CH](O[P](O)(=O)OC[CH]3O[CH](C[CH]3
    O)n4cnc5c(N)ncnc45)[CH](CO)O2; NC1=NC(=O
    )N(C=C1)[C@H]2C[C@H](O[P@@](O)(=O)OC[C@H
    ]3O[C@H](C[C@@H]3O)n4cnc5c(N)ncnc45)[C@@
    H](CO)O2; c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO
    P(=O)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O)N;
    O=C1N=C(N)C=CN1C5OC(CO)C(OP(=O)(O)OCC4O
    C(n3cnc2c(ncnc23)N)CC4O)C5    		 2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3',5'-MONOPHOSPHATE
    17282 CPB
    CHEMBL428690
    DB03496
    ZINC000021288966    		 8 C21 H20 Cl N O5 InChI=1S/C21H20ClNO5/c1-2
    3-7-6-12(17(27)10-23)19-1
    4(24)8-15(25)20-16(26)9-1
    8(28-21(19)20)11-4-2-3-5-
    13(11)22/h2-5,8-9,12,17,2
    4-25,27H,6-7,10H2,1H3/t12
    -,17+/m0/s1;
    BIIVYFLTOXDAOV-YVEFUNNKSA-N    		 CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccc
    cc4Cl)O)O; Clc4ccccc4C=2Oc1c(c(O)cc(O)c1
    C(=O)C=2)C3CCN(C)CC3O; C[N@]1CC[C@@H]([C
    @@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4C
    l)O)O; CN1CC[CH]([CH](O)C1)c2c(O)cc(O)c3
    C(=O)C=C(Oc23)c4ccccc4Cl; CN1CC[C@@H]([C
    @H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4cc
    ccc4Cl    		 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE;
    FLAVOPIRIDOL
    17283 CPC 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-4-3-
    6(4,7-2)5(8)9/h4,7H,3H2,1
    -2H3,(H,8,9)/t4-,6-/m0/s1;
    DYSUVIPLCIOCKL-NJGYIYPDSA-N    		 CN[C]1(C[CH]1C)C(O)=O; O=C(O)C1(NC)CC1C;
    C[C@H]1C[C@]1(C(=O)O)NC; CN[C@]1(C[C@@H
    ]1C)C(O)=O; CC1CC1(C(=O)O)NC    		 2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACID
    17284 CPD
    ZINC000098208753    		 4 C28 H36 Cl2 F3 N6 O8 P InChI=1S/C28H36Cl2F3N6O8P
    /c1-4-34-27(43)38(15-5-14
    -37(2)3)48(46,17-18-6-10-
    20(11-7-18)35-26(42)28(31
    ,32)33)47-23(22(16-40)36-
    25(41)24(29)30)19-8-12-21
    (13-9-19)39(44)45/h6-13,2
    2-24,40H,4-5,14-17H2,1-3H
    3,(H,34,43)(H,35,42)(H,36
    ,41)/t22-,23+,48+/m1/s1;
    SITLNJAUKLVJOA-CTQJRONWSA-N    		 CCNC(=O)N(CCCN(C)C)[P@](=O)(Cc1ccc(NC(=O
    )C(F)(F)F)cc1)O[C@H]([C@@H](CO)NC(=O)C(C
    l)Cl)c2ccc(cc2)[N+]([O-])=O; CCNC(=O)N(C
    CCN(C)C)[P@](=O)(Cc1ccc(cc1)NC(=O)C(F)(F
    )F)O[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H]
    (CO)NC(=O)C(Cl)Cl; FC(F)(F)C(=O)Nc1ccc(c
    c1)CP(=O)(OC(c2ccc(cc2)[N+]([O-])=O)C(NC
    (=O)C(Cl)Cl)CO)N(C(=O)NCC)CCCN(C)C; CCNC
    (=O)N(CCCN(C)C)P(=O)(Cc1ccc(cc1)NC(=O)C(
    F)(F)F)OC(c2ccc(cc2)[N+](=O)[O-])C(CO)NC
    (=O)C(Cl)Cl; CCNC(=O)N(CCCN(C)C)[P](=O)(
    Cc1ccc(NC(=O)C(F)(F)F)cc1)O[CH]([CH](CO)
    NC(=O)C(Cl)Cl)c2ccc(cc2)[N+]([O-])=O    		 [1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-PROPYL ESTER
    17285 CPF
    CHEMBL8
    DB00537
    ZINC000000020220    		 8 C17 H18 F N3 O3 InChI=1S/C17H18FN3O3/c18-
    13-7-11-14(8-15(13)20-5-3
    -19-4-6-20)21(10-1-2-10)9
    -12(16(11)22)17(23)24/h7-
    10,19H,1-6H2,(H,23,24);
    MYSWGUAQZAJSOK-UHFFFAOYSA-N    		 OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C
    1=O; O=C(O)C=3C(=O)c1c(cc(c(F)c1)N2CCNCC
    2)N(C=3)C4CC4; c1c2c(cc(c1F)N3CCNCC3)N(C
    =C(C2=O)C(=O)O)C4CC4    		 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID;
    ciprofloxacin
    17286 CPG 0 C10 H14 N5 O8 P InChI=1/C10H14N5O8P/c11-1
    0-13-7-4(8(18)14-10)12-2-
    15(7)9-6(17)5(16)3(23-9)1
    -22-24(19,20)21/h2-3,5-6,
    9,16-17H,1H2,(H2,19,20,21
    )(H3,11,13,14,18)/t3-,5-,
    6-,9-/m1/s1/f/h14,19-20H,
    11H2;
    RQFCJASXJCIDSX-RRSMAADQDM    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P]
    (O)(O)=O)[C@@H](O)[C@H]3O; NC1=Nc2n(cnc2
    C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]3O; O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3
    O)COP(=O)(O)O; c1nc2c(n1C3C(C(C(O3)COP(=
    O)(O)O)O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[
    C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=
    C(NC2=O)N    		 GUANOSINE-5'-PHOSPHATE
    17287 CPH
    ZINC000005664819    		 0 C21 H24 O9 InChI=1S/C21H24O9/c1-7-12
    (23)6-10-4-9-5-11(21(30-3
    )20(29)16(25)8(2)22)17(26
    )19(28)14(9)18(27)13(10)1
    5(7)24/h4,6,8,11,16-17,21
    -27H,5H2,1-3H3/t8-,11-,16
    +,17+,21+/m1/s1;
    AOCJXLJIUYHXRS-PKRZCTMMSA-N    		 CO[CH]([CH]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C
    (=O)[CH]1O)C(=O)[CH](O)[CH](C)O; Cc1c(cc
    2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@
    @H](C(=O)[C@H]([C@@H](C)O)O)OC)O)O; CO[C
    @@H]([C@@H]1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C
    (=O)[C@H]1O)C(=O)[C@@H](O)[C@@H](C)O; Cc
    1c(cc2cc3c(c(c2c1O)O)C(=O)C(C(C3)C(C(=O)
    C(C(C)O)O)OC)O)O; CC(O)C(O)C(=O)C(OC)C1C
    c2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O    		 (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose;
    None
    17288 CPI
    CHEMBL1231898
    ZINC000000157014    		 2 C6 H11 N O2 InChI=1S/C6H11NO2/c8-6(9)
    5-3-1-2-4-7-5/h5,7H,1-4H2
    ,(H,8,9)/t5-/m1/s1;
    HXEACLLIILLPRG-RXMQYKEDSA-N    		 O=C(O)C1NCCCC1; C1CCNC(C1)C(=O)O; OC(=O)
    [C@H]1CCCCN1; C1CCN[C@H](C1)C(=O)O; OC(=
    O)[CH]1CCCCN1    		 6-CARBOXYPIPERIDINE
    17289 CPJ
    ZINC000100035675    		 25 C16 H24 N2 O12 InChI=1S/C16H24N2O12/c1-1
    5(11(19)20)25-5-9(6-26-15
    )29-13(23)17-3-4-18-14(24
    )30-10-7-27-16(2,12(21)22
    )28-8-10/h9-10H,3-8H2,1-2
    H3,(H,17,23)(H,18,24)(H,1
    9,20)(H,21,22)/t9-,10-,15
    +,16+;
    HAVIIPIIAVTNFO-GXZHHNFCSA-N    		 CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C
    )C(=O)O)C(=O)O; C[C@]1(OC[C@@H](CO1)OC(=
    O)NCCNC(=O)O[C@H]2CO[C@](C)(OC2)C(O)=O)C
    (O)=O; O=C(OC1COC(OC1)(C(=O)O)C)NCCNC(=O
    )OC2COC(OC2)(C(=O)O)C; C[C]1(OC[CH](CO1)
    OC(=O)NCCNC(=O)O[CH]2CO[C](C)(OC2)C(O)=O
    )C(O)=O    		 BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE
    17290 CPK
    DB07580
    ZINC000100035677    		 6 C18 H26 N2 O12 InChI=1S/C18H26N2O12/c1-1
    7(13(21)22)27-7-11(8-28-1
    7)31-15(25)19-3-5-20(6-4-
    19)16(26)32-12-9-29-18(2,
    14(23)24)30-10-12/h11-12H
    ,3-10H2,1-2H3,(H,21,22)(H
    ,23,24)/t11-,12-,17+,18+;
    GNQQJZKGGHOMBD-RDAHUFKRSA-N    		 C[C]1(OC[CH](CO1)OC(=O)N2CCN(CC2)C(=O)O[
    CH]3CO[C](C)(OC3)C(O)=O)C(O)=O; C[C@@]1(
    OC[C@H](CO1)OC(=O)N2CCN(CC2)C(=O)O[C@H]3
    CO[C@](C)(OC3)C(O)=O)C(O)=O; O=C(OC1COC(
    OC1)(C(=O)O)C)N3CCN(C(=O)OC2COC(OC2)(C(=
    O)O)C)CC3; CC1(OCC(CO1)OC(=O)N2CCN(CC2)C
    (=O)OC3COC(OC3)(C)C(=O)O)C(=O)O    		 BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBONYL}-PIPERAZINE
    17291 CPL
    DB02306    		 401 C42 H80 N O8 P InChI=1S/C42H80NO8P/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/h14,16,
    20-21,40H,6-13,15,17-19,2
    2-39H2,1-5H3/b16-14-,21-2
    0-/t40-/m1/s1;
    JLPULHDHAOZNQI-ZTIMHPMXSA-N    		 O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)CO
    P([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCC
    C; CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])
    OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
    ; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])
    (=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CC
    CCCC; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](
    [O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=
    C/C/C=C\CCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@
    H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O
    )CCCCCCC\C=C/C\C=C/CCCCC    		 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
    PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE
    17292 CPM
    ZINC000003874901    		 1 C11 H16 N2 O2 S InChI=1S/C11H16N2O2S/c1-1
    6(12,13)8-10(11(14)15)7-9
    -5-3-2-4-6-9/h2-6,10,12-1
    3H,7-8H2,1H3,(H,14,15)/t1
    0-/m1/s1;
    FKHYVJWYNYZPCA-SNVBAGLBSA-N    		 O=C(O)C(CS(=N)(=N)C)Cc1ccccc1; CS(=N)(=N
    )C[C@@H](Cc1ccccc1)C(=O)O; C[S](=N)(=N)C
    [C@@H](Cc1ccccc1)C(O)=O; C[S](=N)(=N)C[C
    H](Cc1ccccc1)C(O)=O; CS(=N)(=N)CC(Cc1ccc
    cc1)C(=O)O    		 S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-S-METHANE
    17293 CPN 0 C10 H16 N5 O4 InChI=1S/C10H15N5O4/c11-2
    -4-14(6-9(17)18)8(16)5-15
    -3-1-7(12)13-10(15)19/h1,
    3H,2,4-6,11H2,(H,17,18)(H
    2,12,13,19)/p+1;
    MFPUAOSBORLXTD-UHFFFAOYSA-O    		 C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)
    O; O=C(N(CC(=O)O)CC[NH3+])CN1C=CC(=NC1=O
    )N; NC1=NC(=O)N(CC(=O)N(CC[NH3+])CC(O)=O
    )C=C1    		 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE
    17294 CPO 1 C35 H53 Fe N6 O13 InChI=1S/C35H53N6O13.Fe/c
    1-23(11-17-42)20-30(45)39
    (51)14-5-8-27-33(48)38-28
    (34(49)37-27)9-6-15-40(52
    )32(47)22-25(3)13-19-54-3
    5(50)29(36-26(4)44)10-7-1
    6-41(53)31(46)21-24(2)12-
    18-43;/h20-22,27-29,42-43
    H,5-19H2,1-4H3,(H,36,44)(
    H,37,49)(H,38,48);/q-3;+3
    /b23-20+,24-21+,25-22+;/t
    27-,28-,29+;/m0./s1;
    FQIVLXIUJLOKPL-FMHWUFKWSA-N    		 CC(=O)N[CH]1CCC[N]2O[Fe]3|45(|O=C(C=C(C)
    CCO)[N](CCC[CH]6NC(=O)[CH](CCC[N](O3)C(=
    O|4)C=C(C)CCOC1=O)NC6=O)O5)|O=C2C=C(C)CC
    O; CC(=O)N[C@@H]1CCC[N@]2O[Fe]3|45(|O=C(
    \C=C(/C)CCO)[N@](CCC[C@@H]6NC(=O)[C@H](C
    CC[N@](O3)C(=O|4)\C=C(C)\CCOC1=O)NC6=O)O
    5)|O=C2\C=C(C)\CCO; CC1=CC2=O[Fe]345(O=C
    (N(O3)CCCC6C(=O)NC(CCCN2O4)C(=O)N6)C=C(C
    )CCO)O=C(N(O5)CCCC(C(=O)OCC1)NC(=O)C)C=C
    (C)CCO; C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC
    [C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)C=C(C
    )CCO)O=C(N(O5)CCC[C@H](C(=O)OCC1)NC(=O)C
    )C=C(C)CCO    		 COPROGEN
    17295 CPP 0 C7 H12 O InChI=1S/C7H12O/c1-6(5-8)
    4-7-2-3-7/h5-7H,2-4H2,1H3
    /t6-/m0/s1;
    NOQCSSAEKDLHCI-LURJTMIESA-N    		 C[C@@H](CC1CC1)C=O; CC(CC1CC1)C=O; O=CC(
    C)CC1CC1; C[CH](CC1CC1)C=O    		 2-CYCLOPROPYLMETHYLENEPROPANAL
    17296 CPQ
    DB01890
    ZINC000169615617    		 17 C42 H75 N3 O15 InChI=1S/C42H75N3O15/c1-2
    2(26-9-10-27-25-8-7-23-18
    -24(48)12-13-41(23,2)28(2
    5)19-31(51)42(26,27)3)6-1
    1-32(52)45(16-4-14-43-39(
    59)37(57)35(55)33(53)29(4
    9)20-46)17-5-15-44-40(60)
    38(58)36(56)34(54)30(50)2
    1-47/h22-31,33-38,46-51,5
    3-58H,4-21H2,1-3H3,(H,43,
    59)(H,44,60)/t22-,23-,24-
    ,25+,26-,27+,28+,29-,30-,
    31+,33-,34-,35+,36+,37-,3
    8-,41+,42-/m1/s1;
    OJSUWTDDXLCUFR-HGZMBBKESA-N    		 C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C
    @@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([
    C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C
    @@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[
    C@@]3(CC[C@H](C4)O)C)O)C; CC(CCC(=O)N(CC
    CNC(=O)C(C(C(C(CO)O)O)O)O)CCCNC(=O)C(C(C
    (C(CO)O)O)O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC
    (C4)O)C)O)C; O=C(NCCCN(C(=O)CCC(C4CCC3C2
    C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C)CCCNC(=O
    )C(O)C(O)C(O)C(O)CO)C(O)C(O)C(O)C(O)CO;
    C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](
    O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C
    @@H](O)[C@H](O)[C@H](O)CO)[C@H]1CC[C@H]2
    [C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]
    3C[C@H](O)[C@]12C; C[CH](CCC(=O)N(CCCNC(
    =O)[CH](O)[CH](O)[CH](O)[CH](O)CO)CCCNC(
    =O)[CH](O)[CH](O)[CH](O)[CH](O)CO)[CH]1C
    C[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3
    C[CH](O)[C]12C    		 N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE;
    DEOXY-BIGCHAP
    17297 CPR
    DB03948    		 7 C10 H13 Cl N4 O7 P InChI=1S/C10H12ClN4O7P/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(22-10)1
    -21-23(18,19)20/h2-4,6-7,
    10,16-17H,1H2,(H2,18,19,2
    0)/p+1/t4-,6-,7-,10-/m1/s
    1;
    ALOBOMYIOYNCBS-KQYNXXCUSA-O    		 c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)
    (O)O)O)O)Cl; O[C@H]1[C@@H](O)[C@@H](O[C@
    @H]1CO[P](O)(O)=O)n2cnc3c(Cl)[nH+]cnc23;
    O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n
    2cnc3c(Cl)[nH+]cnc23; c1[nH+]c(c2c(n1)n(
    cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)
    (O)O)O)O)Cl; Clc1c2ncn(c2nc[nH+]1)C3OC(C
    (O)C3O)COP(=O)(O)O    		 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE
    17298 CPS
    CHEMBL450950    		 22 C32 H58 N2 O7 S InChI=1S/C32H58N2O7S/c1-2
    1(8-11-29(38)33-14-6-15-3
    4(4,5)16-7-17-42(39,40)41
    )24-9-10-25-30-26(20-28(3
    7)32(24,25)3)31(2)13-12-2
    3(35)18-22(31)19-27(30)36
    /h21-28,30,35-37H,6-20H2,
    1-5H3,(H-,33,38,39,40,41)
    /t21-,22+,23-,24-,25+,26+
    ,27-,28+,30+,31+,32-/m1/s
    1;
    UMCMPZBLKLEWAF-BCTGSCMUSA-N    		 CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]
    )C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)
    C; C[C@H](CCC(=O)NCCC[N+](C)(C)CCC[S]([O
    -])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C
    [C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O
    )[C@]12C; C[C@H](CCC(=O)NCCC[N+](C)(C)CC
    CS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@
    H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[
    C@H](C4)O)C)O)O)C; C[CH](CCC(=O)NCCC[N+]
    (C)(C)CCC[S]([O-])(=O)=O)[CH]1CC[CH]2[CH
    ]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[C
    H](O)[C]12C; [O-]S(=O)(=O)CCC[N+](C)(C)C
    CCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C
    1CC(O)C23C)C    		 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE;
    CHAPS
    17299 CPT
    DB00515    		 52 Cl2 H6 N2 Pt InChI=1S/2ClH.2H3N.Pt/h2*
    1H;2*1H3;/q;;;;+2/p-2;
    LXZZYRPGZAFOLE-UHFFFAOYSA-L    		 [NH3][Pt]([NH3])(Cl)Cl; [Pt](N)(N)(Cl)Cl
    ; N|[Pt](|N)(Cl)Cl    		 Cisplatin;
    diammine(dichloro)platinum
    17300 CPU
    CHEMBL1231909
    DB04213
    ZINC000002047156    		 2 C16 H24 N2 O InChI=1S/C16H24N2O/c19-16
    (18-15-11-5-2-6-12-15)17-
    13-7-10-14-8-3-1-4-9-14/h
    1,3-4,8-9,15H,2,5-7,10-13
    H2,(H2,17,18,19);
    HBTZVNKXMFGOOJ-UHFFFAOYSA-N    		 c1ccc(cc1)CCCNC(=O)NC2CCCCC2; O=C(NC1CCC
    CC1)NCCCc2ccccc2; O=C(NCCCc1ccccc1)NC2CC
    CCC2    		 N-CYCLOHEXYL-N'-(PROPYL)PHENYL UREA
    17301 CPV
    DB07581
    ZINC000033821259    		 0 C15 H29 N O3 InChI=1S/C15H29NO3/c1-10(
    2)12(15(18)19)9-14(17)13(
    16)8-11-6-4-3-5-7-11/h10-
    14,17H,3-9,16H2,1-2H3,(H,
    18,19)/t12-,13-,14-/m0/s1;
    SRFUYEFGHOTBHV-IHRRRGAJSA-N    		 CC(C)[CH](C[CH](O)[CH](N)CC1CCCCC1)C(O)=
    O; O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1; CC(
    C)[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(O)
    =O; CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N
    )O)C(=O)O; CC(C)C(CC(C(CC1CCCCC1)N)O)C(=
    O)O    		 5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID;
    (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid
    17302 CPW
    CHEMBL337577
    DB03240
    ZINC000001490608    		 3 C10 H13 N3 O4 InChI=1S/C10H13N3O4/c11-6
    (9(15)16)4-13-7-3-1-2-5(7
    )8(14)12-10(13)17/h6H,1-4
    ,11H2,(H,15,16)(H,12,14,1
    7)/t6-/m0/s1;
    VSGUEKZRMJVQOH-LURJTMIESA-N    		 N[C@@H](CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O;
    O=C(O)C(N)CN1C2=C(C(=O)NC1=O)CCC2; C1CC2
    =C(C1)N(C(=O)NC2=O)CC(C(=O)O)N; C1CC2=C(
    C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N; N[CH](
    CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O    		 (S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID
    17303 CPX
    DB07582
    ZINC000033821260    		 1 C24 H38 N4 O4 InChI=1S/C24H38N4O4/c1-15
    (2)19(27-23(32)25-17-6-3-
    4-7-17)22(31)28-13-10-18(
    26-21(30)16-8-9-16)20(28)
    24(14-29)11-5-12-24/h14-2
    0H,3-13H2,1-2H3,(H,26,30)
    (H2,25,27,32)/t18-,19-,20
    -/m0/s1;
    GCDRFILPPBOJLM-UFYCRDLUSA-N    		 CC(C)[C@H](NC(=O)NC1CCCC1)C(=O)N2CC[C@H]
    (NC(=O)C3CC3)[C@H]2C4(CCC4)C=O; CC(C)[C@
    @H](C(=O)N1CC[C@@H]([C@H]1C2(CCC2)C=O)NC
    (=O)C3CC3)NC(=O)NC4CCCC4; CC(C)[CH](NC(=
    O)NC1CCCC1)C(=O)N2CC[CH](NC(=O)C3CC3)[CH
    ]2C4(CCC4)C=O; O=C(N2C(C(NC(=O)C1CC1)CC2
    )C3(C=O)CCC3)C(NC(=O)NC4CCCC4)C(C)C; CC(
    C)C(C(=O)N1CCC(C1C2(CCC2)C=O)NC(=O)C3CC3
    )NC(=O)NC4CCCC4    		 N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE
    17304 CPY
    ZINC000002046881    		 0 C15 H24 N2 O2 InChI=1S/C15H24N2O2/c16-1
    3(10-12-6-2-1-3-7-12)14(1
    8)11-17-9-5-4-8-15(17)19/
    h4-5,8-9,12-14,18H,1-3,6-
    7,10-11,16H2/t13-,14-/m0/
    s1;
    HPKPZSBYICLNNF-KBPBESRZSA-N    		 N[C@@H](CC1CCCCC1)[C@@H](O)CN2C=CC=CC2=O
    ; N[CH](CC1CCCCC1)[CH](O)CN2C=CC=CC2=O;
    C1CCC(CC1)CC(C(CN2C=CC=CC2=O)O)N; C1CCC(
    CC1)C[C@@H]([C@H](CN2C=CC=CC2=O)O)N; O=C
    1C=CC=CN1CC(O)C(N)CC2CCCCC2    		 1-(3-AMINO-4-CYCLOHEXYL-2-HYDROXYBUTYL)PYRIDIN-2(1H)-ONE
    17305 CPZ
    CHEMBL1231913
    DB02974
    ZINC000005974211    		 20 C9 H7 Cl N2 InChI=1S/C9H7ClN2/c10-8-3
    -1-7(2-4-8)9-5-11-6-12-9/
    h1-6H,(H,11,12);
    DVKIFCXVRCGAEE-UHFFFAOYSA-N    		 Clc2ccc(c1cncn1)cc2; Clc1ccc(cc1)c2[nH]c
    nc2; c1cc(ccc1c2cnc[nH]2)Cl    		 4-(4-CHLOROPHENYL)IMIDAZOLE
    17306 CQ0
    CHEMBL2087500
    ZINC000084742642    		 1 C21 H24 N4 O InChI=1S/C21H24N4O/c1-13-
    5-6-15(19(26)22-16-7-8-16
    )11-17(13)14-9-10-25-18(1
    2-14)23-24-20(25)21(2,3)4
    /h5-6,9-12,16H,7-8H2,1-4H
    3,(H,22,26);
    QOUXRSOLEJEKEB-UHFFFAOYSA-N    		 O=C(NC1CC1)c4cc(c3ccn2c(nnc2C(C)(C)C)c3)
    c(cc4)C; Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C
    )C)C(=O)NC4CC4    		 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide
    17307 CQ1
    ZINC000098208754    		 0 C15 H16 N6 O4 InChI=1S/C15H16N6O4/c1-8(
    22)13(16)14-18-11(15(25)2
    1(14)7-12(23)24)6-9-2-4-1
    0(5-3-9)19-20-17/h2-6,8,1
    3,22H,7,16H2,1H3,(H,23,24
    )/b11-6-/t8-,13+/m1/s1;
    DTMONCBSKCLGRG-NGDPAIJVSA-N    		 C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N=[N+]
    =[N-])/C(=O)N1CC(=O)O)N)O; C[CH](O)[CH](
    N)C1=NC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)N1C
    C(O)=O; C[C@@H](O)[C@H](N)C1=N\C(=C/c2cc
    c(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O; O=C1C(
    \N=C(N1CC(=O)O)C(N)C(O)C)=C\c2ccc(/N=[N+
    ]=[N-])cc2; CC(C(C1=NC(=Cc2ccc(cc2)N=[N+
    ]=[N-])C(=O)N1CC(=O)O)N)O    		 [(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    17308 CQ2 0 C15 H18 N4 O4 InChI=1S/C15H18N4O4/c1-8(
    20)13(17)14-18-11(15(23)1
    9(14)7-12(21)22)6-9-2-4-1
    0(16)5-3-9/h2-6,8,13,20H,
    7,16-17H2,1H3,(H,21,22)/t
    8-,13+/m1/s1;
    HNVLCUZQPYOAQU-OQPBUACISA-N    		 O=C1C(\N=C(N1CC(=O)O)C(N)C(O)C)=C\c2ccc(
    N)cc2; C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2
    )N)/C(=O)N1CC(=O)O)N)O; CC(C(C1=NC(=Cc2c
    cc(cc2)N)C(=O)N1CC(=O)O)N)O; C[C@@H](O)[
    C@H](N)C1=N\C(=C/c2ccc(N)cc2)C(=O)N1CC(O
    )=O; C[CH](O)[CH](N)C1=NC(=Cc2ccc(N)cc2)
    C(=O)N1CC(O)=O    		 {(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    17309 CQ3
    CHEMBL3590119
    ZINC000263620632    		 1 C18 H22 Cl N5 O2 InChI=1S/C18H22ClN5O2/c1-
    2-16(25)22-14-5-3-4-6-15(
    14)23-17-13(19)11-20-18(2
    4-17)21-12-7-9-26-10-8-12
    /h3-6,11-12H,2,7-10H2,1H3
    ,(H,22,25)(H2,20,21,23,24
    );
    JZDAKZQIQGCCGO-UHFFFAOYSA-N    		 CCC(=O)Nc1ccccc1Nc2nc(NC3CCOCC3)ncc2Cl;
    CCC(=O)Nc1ccccc1Nc2c(cnc(n2)NC3CCOCC3)Cl    		 N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
    17310 CQ4 4 Cr O4 InChI=1S/Cr.4O/q;;;2*-1;
    ZCDOYSPFYFSLEW-UHFFFAOYSA-N    		 [O-][Cr]([O-])(=O)=O; [O-][Cr](=O)(=O)[O
    -]    		 Chromate;
    Dioxido(dioxo)chromium
    17311 CQ5
    CHEMBL4294359    		 2 C26 H37 N5 O3 InChI=1S/C26H37N5O3/c1-21
    (22-7-3-2-4-8-22)17-24(32
    )30-14-9-26(34,10-15-30)1
    9-31-20-28-23(18-25(31)33
    )27-11-16-29-12-5-6-13-29
    /h2-4,7-8,18,20-21,27,34H
    ,5-6,9-17,19H2,1H3/t21-/m
    1/s1;
    VJDZJAUBPMXVAF-OAQYLSRUSA-N    		 C[C@H](CC(=O)N1CCC(O)(CC1)CN2C=NC(=CC2=O
    )NCCN3CCCC3)c4ccccc4; C[CH](CC(=O)N1CCC(
    O)(CC1)CN2C=NC(=CC2=O)NCCN3CCCC3)c4ccccc
    4; CC(CC(=O)N1CCC(CC1)(CN2C=NC(=CC2=O)NC
    CN3CCCC3)O)c4ccccc4; C[C@H](CC(=O)N1CCC(
    CC1)(CN2C=NC(=CC2=O)NCCN3CCCC3)O)c4ccccc
    4    		 3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one
    17312 CQ6
    CHEMBL3590112
    ZINC000263620583    		 1 C14 H22 N4 O3 S InChI=1S/C14H22N4O3S/c1-2
    -22(19,20)18-6-3-11-9-15-
    14(17-13(11)10-18)16-12-4
    -7-21-8-5-12/h9,12H,2-8,1
    0H2,1H3,(H,15,16,17);
    IYULUKZVVYXBLY-UHFFFAOYSA-N    		 CC[S](=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1;
    CCS(=O)(=O)N1CCc2cnc(nc2C1)NC3CCOCC3    		 7-ethylsulfonyl-N-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
    17313 CQ7
    CHEMBL4062218    		 1 C28 H28 N6 O4 InChI=1S/C28H28N6O4/c1-15
    -31-21-10-8-16(12-23(21)3
    7-15)19-14-30-25-24(19)27
    (38-18-6-4-5-7-18)34-28(3
    3-25)32-20-11-9-17(26(35)
    29-2)13-22(20)36-3/h8-14,
    18H,4-7H2,1-3H3,(H,29,35)
    (H2,30,32,33,34);
    CWJLAVRXVFHDSJ-UHFFFAOYSA-N    		 CNC(=O)c1ccc(Nc2nc3[nH]cc(c4ccc5nc(C)oc5
    c4)c3c(OC6CCCC6)n2)c(OC)c1; Cc1nc2c(o1)c
    c(cc2)c3cnc5c3c(nc(Nc4c(OC)cc(cc4)C(NC)=
    O)n5)OC6CCCC6; Cc1nc2ccc(cc2o1)c3c[nH]c4
    c3c(nc(n4)Nc5ccc(cc5OC)C(=O)NC)OC6CCCC6    		 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide
    17314 CQ8
    CHEMBL3590115
    ZINC000230507624    		 1 C18 H21 Cl N4 O2 InChI=1S/C18H21ClN4O2/c1-
    20-18(24)13-4-2-3-5-15(13
    )23-16-10-17(21-11-14(16)
    19)22-12-6-8-25-9-7-12/h2
    -5,10-12H,6-9H2,1H3,(H,20
    ,24)(H2,21,22,23);
    OYYNQAPQYQZOFQ-UHFFFAOYSA-N    		 CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3; C
    NC(=O)c1ccccc1Nc2cc(NC3CCOCC3)ncc2Cl    		 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide
    17315 CQ9
    ZINC000004995794    		 2 C17 H14 N2 O3 InChI=1S/C17H14N2O3/c1-19
    -15(20)12-9-5-6-10-13(12)
    18-16(21)17(19)14(22-17)1
    1-7-3-2-4-8-11/h2-10,14H,
    1H3,(H,18,21)/t14-,17+/m0
    /s1;
    APLKWZASYUZSBL-WMLDXEAASA-N    		 CN1C(=O)c2ccccc2NC(=O)[C@@]13O[C@H]3c4cc
    ccc4; CN1C(=O)c2ccccc2NC(=O)[C]13O[CH]3c
    4ccccc4; CN1C(=O)c2ccccc2NC(=O)C13C(O3)c
    4ccccc4; CN1C(=O)c2ccccc2NC(=O)[C@]13[C@
    @H](O3)c4ccccc4    		 (3~{R},3'~{S})-4-methyl-3'-phenyl-spiro[1~{H}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
    17316 CQA
    CHEMBL682
    DB00613
    ZINC000000608172    		 9 C20 H22 Cl N3 O InChI=1S/C20H22ClN3O/c1-3
    -24(4-2)13-14-11-16(6-8-2
    0(14)25)23-18-9-10-22-19-
    12-15(21)5-7-17(18)19/h5-
    12,25H,3-4,13H2,1-2H3,(H,
    22,23);
    OVCDSSHSILBFBN-UHFFFAOYSA-N    		 Clc1cc2nccc(c2cc1)Nc3cc(c(O)cc3)CN(CC)CC
    ; CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl
    ; CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O    		 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL;
    AMODIAQUINE;
    FLAVOQUINE
    17317 CQB
    CHEMBL4442450    		 1 C12 H19 N O8 InChI=1S/C12H19NO8/c1-6(2
    )5-7(10(16)17)13-12(20)21
    -8(11(18)19)3-4-9(14)15/h
    6-8H,3-5H2,1-2H3,(H,13,20
    )(H,14,15)(H,16,17)(H,18,
    19)/t7-,8-/m0/s1;
    WQDZXAWSGIQGKR-YUMQZZPRSA-N    		 CC(C)CC(C(=O)O)NC(=O)OC(CCC(=O)O)C(=O)O;
    CC(C)C[C@@H](C(=O)O)NC(=O)O[C@@H](CCC(=
    O)O)C(=O)O; CC(C)C[CH](NC(=O)O[CH](CCC(O
    )=O)C(O)=O)C(O)=O; CC(C)C[C@H](NC(=O)O[C
    @@H](CCC(O)=O)C(O)=O)C(O)=O    		 (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid
    17318 CQC 1 C21 H17 N3 O4 InChI=1S/C21H17N3O4/c1-12
    -17(21(28)23(2)22-12)18(2
    5)14-8-9-15-16(10-14)20(2
    7)24(19(15)26)11-13-6-4-3
    -5-7-13/h3-10,25H,11H2,1-
    2H3/b18-17-;
    ZWUMMDOCWXLHBD-ZCXUNETKSA-N    		 CN1N=C(C)C(=C(O)/c2ccc3C(=O)N(Cc4ccccc4)
    C(=O)c3c2)\C1=O; CC\1=NN(C(=O)/C1=C(/c2c
    cc3c(c2)C(=O)N(C3=O)Cc4ccccc4)\O)C; CN1N
    =C(C)C(=C(O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)
    c3c2)C1=O; CC1=NN(C(=O)C1=C(c2ccc3c(c2)C
    (=O)N(C3=O)Cc4ccccc4)O)C    		 5-[(~{Z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione
    17319 CQD
    CHEMBL337173
    DB17038
    ZINC000100002044    		 1 C15 H16 Cl N3 O3 InChI=1S/C15H16ClN3O3/c16
    -11-13(18-4-5-19-6-8-22-9
    -7-19)15(21)12-10(14(11)2
    0)2-1-3-17-12/h1-3,18H,4-
    9H2;
    BMKPVDQDJQWBPD-UHFFFAOYSA-N    		 ClC=3C(=O)c1cccnc1C(=O)C=3NCCN2CCOCC2; c
    1cc2c(nc1)C(=O)C(=C(C2=O)Cl)NCCN3CCOCC3;
    ClC1=C(NCCN2CCOCC2)C(=O)c3ncccc3C1=O    		 6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione
    17320 CQE
    CHEMBL5283675
    ZINC000201737145    		 2 C30 H28 F3 N5 O3 S2 InChI=1S/C30H28F3N5O3S2/c
    1-17(39)35-26-15-19(9-12-
    34-26)29-28(36-30(42-29)1
    8-10-13-38(14-11-18)21-6-
    7-21)22-3-2-4-24(27(22)33
    )37-43(40,41)25-16-20(31)
    5-8-23(25)32/h2-5,8-9,12,
    15-16,18,21,37H,6-7,10-11
    ,13-14H2,1H3,(H,34,35,39);
    WXOCHOSJBRDQIZ-UHFFFAOYSA-N    		 CC(=O)Nc1cc(ccn1)c2sc(nc2c3cccc(N[S](=O)
    (=O)c4cc(F)ccc4F)c3F)C5CCN(CC5)C6CC6; CC
    (=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4
    )c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F; Fc1c
    c(c(F)cc1)S(=O)(=O)Nc6cccc(c2nc(sc2c3ccn
    c(NC(=O)C)c3)C5CCN(C4CC4)CC5)c6F    		 N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide
    17321 CQF
    CHEMBL4528047    		 3 C22 H21 Cl N6 InChI=1S/C22H21ClN6/c1-14
    -26-27-22-10-8-20(25-18-6
    -4-17(23)5-7-18)19-11-15(
    3-9-21(19)29(14)22)16-12-
    24-28(2)13-16/h3-7,9,11-1
    3,20,25H,8,10H2,1-2H3/t20
    -/m1/s1;
    MDRXOFSNECSECW-HXUWFJFHSA-N    		 Cc1nnc2n1-c3ccc(cc3C(CC2)Nc4ccc(cc4)Cl)c
    5cnn(c5)C; Cn1cc(cn1)c2ccc3n4c(C)nnc4CC[
    C@@H](Nc5ccc(Cl)cc5)c3c2; Cn1cc(cn1)c2cc
    c3n4c(C)nnc4CC[CH](Nc5ccc(Cl)cc5)c3c2; C
    c1nnc2n1-c3ccc(cc3[C@@H](CC2)Nc4ccc(cc4)
    Cl)c5cnn(c5)C    		 (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
    17322 CQG
    CHEMBL237459
    ZINC000086012953    		 14 C5 H5 N O InChI=1S/C5H5NO/c7-5-1-3-
    6-4-2-5/h1-4H,(H,6,7);
    GCNTZFIIOFTKIY-UHFFFAOYSA-N    		 Oc1ccncc1; c1cnccc1O pyridin-4-ol
    17323 CQH 4 C26 H29 N3 O4 S InChI=1S/C26H29N3O4S/c1-4
    -7-18-8-5-6-9-20(18)27-24
    (31)21(14-16(2)3)28-23(30
    )19-12-10-17(11-13-19)15-
    22-25(32)29-26(33)34-22/h
    5-6,8-13,16,21H,4,7,14-15
    H2,1-3H3,(H2-,27,28,29,30
    ,31,32,33)/t21-/m0/s1;
    NWLPQCZZJXMUOM-NRFANRHFSA-N    		 CCCc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c2cc
    c(cc2)CC3=[S+]C(=O)N=C3[O-]; CCCc1ccccc1
    NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(CC3=[S+]C
    (=O)N=C3[O-])cc2; CCCc1ccccc1NC(=O)C(CC(
    C)C)NC(=O)c2ccc(cc2)CC3=[S+]C(=O)N=C3[O-
    ]; CCCc1ccccc1NC(=O)[CH](CC(C)C)NC(=O)c2
    ccc(CC3=[S+]C(=O)N=C3[O-])cc2    		 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate
    17324 CQI 2 C32 H60 O12 S InChI=1S/C32H60O12S/c1-3-
    5-7-9-10-11-12-13-14-15-1
    6-17-19-20-27(33)41-22-25
    (43-28(34)21-18-8-6-4-2)2
    3-42-32-31(37)30(36)29(35
    )26(44-32)24-45(38,39)40/
    h25-26,29-32,35-37H,3-24H
    2,1-2H3,(H,38,39,40)/t25-
    ,26-,29-,30+,31-,32+/m1/s
    1;
    IJGQUULJVRLGQW-CPYLTBOFSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@
    @H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)
    O)O)OC(=O)CCCCCC; CCCCCCCCCCCCCCCC(=O)OC
    C(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O
    )CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[C
    H]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH
    ]1O)OC(=O)CCCCCC; CCCCCCCCCCCCCCCC(=O)OC
    [C@H](CO[C@H]1O[C@H](C[S](O)(=O)=O)[C@@H
    ](O)[C@H](O)[C@H]1O)OC(=O)CCCCCC    		 [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid;
    sulfoquinovosyl diacylglycerol
    17325 CQJ
    CHEMBL4593828
    ZINC000009638365    		 1 C6 H7 N O InChI=1S/C6H7NO/c1-5-2-3-
    7-6(8)4-5/h2-4H,1H3,(H,7,
    8);
    YBDRFJXGJQULGH-UHFFFAOYSA-N    		 Cc1ccnc(c1)O; c1(O)cc(ccn1)C; Cc1ccnc(O)
    c1    		 4-methylpyridin-2-ol
    17326 CQK 1 C7 H6 N6 O2 InChI=1S/C7H6N6O2/c14-7(1
    1-15)5-3-4(1-2-8-5)6-9-12
    -13-10-6/h1-3,15H,(H,11,1
    4)(H,9,10,12,13);
    ICLVJVGNXROVLL-UHFFFAOYSA-N    		 ONC(=O)c1cc(ccn1)c2n[nH]nn2; c1cnc(cc1c2
    n[nH]nn2)C(=O)NO    		 ~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
    17327 CQL
    CHEMBL497
    DB04815
    ZINC000006409735    		 1 C9 H5 Cl I N O InChI=1S/C9H5ClINO/c10-6-
    4-7(11)9(13)8-5(6)2-1-3-1
    2-8/h1-4,13H;
    QCDFBFJGMNKBDO-UHFFFAOYSA-N    		 c1cc2c(cc(c(c2nc1)O)I)Cl; Ic1c(O)c2ncccc
    2c(Cl)c1; Oc1c(I)cc(Cl)c2cccnc12    		 5-chloro-7-iodoquinolin-8-ol;
    Clioquinol
    17328 CQM
    ZINC000096077636    		 4 C26 H42 N7 O20 P3 S InChI=1S/C26H42N7O20P3S/c
    1-25(2,19(37)22(38)29-5-4
    -14(34)28-6-7-57-15(35)8-
    26(3,41)24(39)40)10-50-56
    (47,48)53-55(45,46)49-9-1
    3-18(52-54(42,43)44)17(36
    )23(51-13)33-12-32-16-20(
    27)30-11-31-21(16)33/h11-
    13,17-19,23,36-37,41H,4-1
    0H2,1-3H3,(H,28,34)(H,29,
    38)(H,39,40)(H,45,46)(H,4
    7,48)(H2,27,30,31)(H2,42,
    43,44)/t13-,17-,18-,19+,2
    3-,26+/m1/s1;
    XYGOWHUIVNMEIA-XBVYHAPZSA-N    		 C(C(SCCNC(CCNC(C(C(COP(OP(=O)(O)OCC1OC(C
    (C1OP(O)(O)=O)O)n2cnc3c2ncnc3N)(O)=O)(C)
    C)O)=O)=O)=O)C(C(O)=O)(C)O; CC(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@
    @H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@](C)(O)C
    (O)=O; C[C@](CC(=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)(C(=O)O)O; CC(C)(CO[P](O)(=O)O
    [P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](
    O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCC
    C(=O)NCCSC(=O)C[C](C)(O)C(O)=O; CC(C)(CO
    P(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2nc
    nc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=
    O)CC(C)(C(=O)O)O)O    		 Citramalyl-CoA
    17329 CQN
    CHEMBL400696
    ZINC000003812918    		 2 C24 H34 N2 O InChI=1S/C24H34N2O/c1-21(
    2)19-27-20-24(25-15-9-10-
    16-25)18-26(23-13-7-4-8-1
    4-23)17-22-11-5-3-6-12-22
    /h3-8,11-14,21,24H,9-10,1
    5-20H2,1-2H3/t24-/m1/s1;
    UIEATEWHFDRYRU-XMMPIXPASA-N    		 CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3;
    CC(C)COC[CH](CN(Cc1ccccc1)c2ccccc2)N3CC
    CC3; CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc
    2)N3CCCC3    		 Bepridil
    17330 CQO
    CHEMBL5095897
    ZINC000090609740    		 1 C18 H20 N2 O2 S InChI=1S/C18H20N2O2S/c1-2
    1-12-4-6-16-14(10-12)18(2
    3-9-3-8-19)15-11-13(22-2)
    5-7-17(15)20-16/h4-7,10-1
    1H,3,8-9,19H2,1-2H3;
    ZFOMCSNUEHMROO-UHFFFAOYSA-N    		 COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1; COc1c
    cc2c(c1)c(c3cc(ccc3n2)OC)SCCCN    		 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine
    17331 CQP
    DB07583
    ZINC000006745133    		 1 C21 H22 Cl N3 O3 S InChI=1S/C21H22ClN3O3S/c2
    2-17-6-4-15(5-7-17)14-28-
    19-10-18(24-13-19)12-25-2
    9(26,27)21-3-1-2-16-11-23
    -9-8-20(16)21/h1-9,11,18-
    19,24-25H,10,12-14H2/t18-
    ,19+/m0/s1;
    RLNNFNGBXLTQOB-RBUKOAKNSA-N    		 c1cc2cnccc2c(c1)S(=O)(=O)NC[C@@H]3C[C@H]
    (CN3)OCc4ccc(cc4)Cl; Clc1ccc(CO[C@H]2CN[
    C@H](CN[S](=O)(=O)c3cccc4cnccc34)C2)cc1;
    Clc1ccc(CO[CH]2CN[CH](CN[S](=O)(=O)c3cc
    cc4cnccc34)C2)cc1; O=S(=O)(c2c1ccncc1ccc
    2)NCC4NCC(OCc3ccc(Cl)cc3)C4; c1cc2cnccc2
    c(c1)S(=O)(=O)NCC3CC(CN3)OCc4ccc(cc4)Cl    		 (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE
    17332 CQQ
    ZINC000095921432    		 2 C28 H29 N7 O2 InChI=1S/C28H29N7O2/c1-35
    (2)17-5-9-26(36)31-22-12-
    10-20(11-13-22)27(37)32-2
    3-7-3-8-24(18-23)33-28-30
    -16-14-25(34-28)21-6-4-15
    -29-19-21/h3-4,6-8,10-16,
    18-19H,5,9,17H2,1-2H3,(H,
    31,36)(H,32,37)(H,30,33,3
    4);
    UHHXMHJPSLUZFX-UHFFFAOYSA-N    		 CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)
    Nc3nccc(n3)c4cccnc4; CN(C)CCCC(=O)Nc1ccc
    (cc1)C(=O)Nc2cccc(Nc3nccc(n3)c4cccnc4)c2
    ; O=C(Nc1ccc(cc1)C(=O)Nc4cc(Nc2nc(ccn2)c
    3cccnc3)ccc4)CCCN(C)C    		 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
    17333 CQR 0 C13 H13 N3 O4 InChI=1/C13H13N3O4/c14-6-
    11-15-10(13(20)16(11)7-12
    (18)19)5-8-1-3-9(17)4-2-8
    /h1-5,17H,6-7,14H2,(H,18,
    19)/b10-5-/f/h18H;
    IZZXWFHPOZIXIE-IOJAFEJWDP    		 c1cc(ccc1C=C2C(=O)N(C(=N2)CN)CC(=O)O)O;
    c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)
    O; O=C1C(\N=C(N1CC(=O)O)CN)=C\c2ccc(O)cc
    2; NCC1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=
    O; NCC1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O    		 [(4Z)-2-(AMINOMETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID;
    CHROMOPHORE (GLY-TYR-GLY)
    17334 CQS
    CHEMBL4174004    		 2 C15 H17 N7 O3 S InChI=1S/C15H17N7O3S/c16-
    14-13-15(20-8-19-14)22(9-
    21-13)7-12(23)18-6-5-10-1
    -3-11(4-2-10)26(17,24)25/
    h1-4,8-9H,5-7H2,(H,18,23)
    (H2,16,19,20)(H2,17,24,25
    );
    PUMWMJFQZZVYPO-UHFFFAOYSA-N    		 c1cc(ccc1CCNC(=O)Cn2cnc3c2ncnc3N)S(=O)(=
    O)N; Nc1ncnc2n(CC(=O)NCCc3ccc(cc3)[S](N)
    (=O)=O)cnc12; C(NCCc1ccc(cc1)S(N)(=O)=O)
    (Cn3cnc2c3ncnc2N)=O    		 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
    17335 CQT 1 C14 H19 N7 O2 InChI=1S/C14H19N7O2/c22-1
    4(16-3-1-5-21-6-8-23-9-7-
    21)12-10-11(2-4-15-12)13-
    17-19-20-18-13/h2,4,10H,1
    ,3,5-9H2,(H,16,22)(H,17,1
    8,19,20);
    DTCDEBDILWHQER-UHFFFAOYSA-N    		 O=C(NCCCN1CCOCC1)c2cc(ccn2)c3n[nH]nn3; c
    1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3    		 ~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
    17336 CQU
    CHEMBL428963
    DB07584
    ZINC000016052801    		 1 C15 H13 N7 InChI=1S/C15H13N7/c1-9-19
    -15(22-21-9)10-4-2-3-5-12
    (10)20-14-11-6-7-16-13(11
    )17-8-18-14/h2-8H,1H3,(H,
    19,21,22)(H2,16,17,18,20);
    OKGCSZUKOGMZAL-UHFFFAOYSA-N    		 n1c4c(c(nc1)Nc3ccccc3c2nnc(n2)C)ccn4; Cc
    1[nH]c(nn1)c2ccccc2Nc3ncnc4[nH]ccc34; Cc
    1[nH]c(nn1)c2ccccc2Nc3c4cc[nH]c4ncn3    		 N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    17337 CQV
    CHEMBL24510
    ZINC000001531682    		 1 C10 H13 N O2 InChI=1S/C10H13NO2/c1-2-3
    -4-8-5-6-9(10(12)13)11-7-
    8/h5-7H,2-4H2,1H3,(H,12,1
    3);
    DGMPVYSXXIOGJY-UHFFFAOYSA-N    		 CCCCc1ccc(nc1)C(O)=O; CCCCc1ccc(nc1)C(=O
    )O; C(c1ncc(CCCC)cc1)(O)=O    		 5-butylpyridine-2-carboxylic acid
    17338 CQW
    CHEMBL259833
    DB07585
    ZINC000016052800    		 1 C12 H11 Cl N6 InChI=1S/C12H11ClN6/c13-7
    -3-14-11-10(7)12(18-6-17-
    11)19-2-1-8-9(4-19)16-5-1
    5-8/h3,5-6H,1-2,4H2,(H,15
    ,16)(H,14,17,18);
    YFFJXGRXFASBDL-UHFFFAOYSA-N    		 c1c(c2c([nH]1)ncnc2N3CCc4c(nc[nH]4)C3)Cl
    ; c1c(c2c([nH]1)ncnc2[N@]3CCc4c(nc[nH]4)
    C3)Cl; Clc4c1c(ncnc1N3Cc2ncnc2CC3)nc4; C
    lc1c[nH]c2ncnc(N3CCc4[nH]cnc4C3)c12    		 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
    17339 CQX 24 C18 H36 O7 InChI=1S/C18H36O7/c1-2-3-
    4-5-6-7-8-9-10-23-11-12-2
    4-18-17(22)16(21)15(20)14
    (13-19)25-18/h14-22H,2-13
    H2,1H3/t14-,15-,16+,17+,1
    8+/m1/s1;
    VOSUWWUWOMLIMI-ZBRFXRBCSA-N    		 CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H](
    [C@H](O1)CO)O)O)O; CCCCCCCCCCOCCO[CH]1O[
    CH](CO)[CH](O)[CH](O)[CH]1O; CCCCCCCCCCO
    CCOC1C(C(C(C(O1)CO)O)O)O; CCCCCCCCCCOCCO
    [C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1
    O    		 (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol;
    3-Oxatridecyl-alpha-D-mannopyranoside
    17340 CQY 4 C21 H26 N4 O4 S InChI=1S/C21H26N4O4S/c1-2
    -29-19-7-14-30-20(19)21(2
    6)24-12-10-22(11-13-24)16
    -5-6-17(25(27)28)18(15-16
    )23-8-3-4-9-23/h5-7,14-15
    H,2-4,8-13H2,1H3;
    LAYJOGOQGVGOCO-UHFFFAOYSA-N    		 CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CC
    CC4)[N+]([O-])=O; CCOc1c(scc1)C(N2CCN(CC
    2)c3cc(c(cc3)[N+]([O-])=O)N4CCCC4)=O; CC
    Oc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC
    4)[N+](=O)[O-]    		 (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone
    17341 CQZ
    ZINC000042783956    		 1 C9 H12 N2 O3 InChI=1S/C9H12N2O3/c12-5-
    1-3-10-8-6-7(9(13)14)2-4-
    11-8/h2,4,6,12H,1,3,5H2,(
    H,10,11)(H,13,14);
    FWYOTGNTHMHGFK-UHFFFAOYSA-N    		 c1cnc(cc1C(=O)O)NCCCO; OCCCNc1cc(ccn1)C(
    O)=O    		 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid
    17342 CR
    DB14525    		 5 Cr InChI=1S/Cr/q+3;
    BFGKITSFLPAWGI-UHFFFAOYSA-N    		 [Cr+3] CHROMIUM ION
    17343 CR0
    DB02488
    ZINC000012502163    		 0 C12 H21 N3 O5 InChI=1S/C12H21N3O5/c1-6(
    2)4-8-11(19)15(5-9(17)18)
    12(20,14-8)10(13)7(3)16/h
    6-7,10,16,20H,4-5,13H2,1-
    3H3,(H,17,18)/t7-,10+,12-
    /m1/s1;
    FVQZBMYUTGAMMN-INNHCVQGSA-N    		 O=CCN1C(=O)C(=NC1(O)C(N)C(O)C)CC(C)C; CC
    (C)CC1=N[C](O)([CH](N)[CH](C)O)N(CC(O)=O
    )C1=O; C[C@H]([C@@H]([C@]1(N=C(C(=O)N1CC
    (=O)O)CC(C)C)O)N)O; CC(C)CC1=NC(N(C1=O)C
    C(=O)O)(C(C(C)O)N)O; CC(C)CC1=N[C@](O)([
    C@@H](N)[C@@H](C)O)N(CC(O)=O)C1=O    		 [2-(1-AMINO-2-HYDROXYPROPYL)-2-HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETALDEHYDE;
    1-(2-ETHANONE)-2-HYDROXY-2-(1-AMINO-2-METHYL-2-ETHANOL)-4-(2-DIMETHYL)ETHANE-IMIDAZOLINE-5-ONE;
    CHROMOPHORE (THR-LEU-GLY)
    17344 CR1
    CHEMBL134529
    DB03657
    ZINC000004134468    		 1 C8 H15 N O7 InChI=1S/C8H15NO7/c1-15-8
    (14)9-7-6(13)5(12)4(11)3(
    2-10)16-7/h3-7,10-13H,2H2
    ,1H3,(H,9,14)/t3-,4-,5+,6
    -,7-/m1/s1;
    IZZJOGWXTFEDLL-XUUWZHRGSA-N    		 COC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]
    1O; COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C
    @H](O1)CO)O)O)O; COC(=O)N[C@@H]1O[C@H](C
    O)[C@@H](O)[C@H](O)[C@H]1O; O=C(OC)NC1OC
    (C(O)C(O)C1O)CO; COC(=O)NC1C(C(C(C(O1)CO
    )O)O)O    		 N-(methoxycarbonyl)-beta-D-glucopyranosylamine;
    1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCOPYRANOSE;
    N-(methoxycarbonyl)-beta-D-glucosylamine;
    N-(methoxycarbonyl)-D-glucosylamine;
    N-(methoxycarbonyl)-glucosylamine
    17345 CR2
    DB03998
    ZINC000058632170    		 1 C13 H13 N3 O4 InChI=1S/C13H13N3O4/c14-6
    -11-15-10(13(20)16(11)7-1
    2(18)19)5-8-1-3-9(17)4-2-
    8/h1-5,17H,6-7,14H2,(H,18
    ,19)/b10-5-;
    IZZXWFHPOZIXIE-YHYXMXQVSA-N    		 c1cc(ccc1C=C2C(=O)N(C(=N2)CN)CC(=O)O)O;
    c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)
    O; O=C1C(\N=C(N1CC(=O)O)CN)=C\c2ccc(O)cc
    2; NCC1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=
    O; NCC1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O    		 {(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (GLY-TYR-GLY)
    17346 CR3
    CHEMBL64579
    DB03173
    ZINC000033360147    		 1 C20 H21 N3 O2 InChI=1S/C20H21N3O2/c21-2
    0(22)12-8-9-16-13(10-12)1
    1-17(23-16)15-6-3-7-18(19
    (15)24)25-14-4-1-2-5-14/h
    3,6-11,14,23-24H,1-2,4-5H
    2,(H3,21,22);
    CFSQPEBVGUSQII-UHFFFAOYSA-N    		 [O-]c4c(OC1CCCC1)cccc4c3cc2cc(ccc2n3)\C(
    =[NH2+])N; NC(=[NH2+])c1ccc2[nH]c(cc2c1)
    c3cccc(OC4CCCC4)c3[O-]; c1cc(c(c(c1)OC2C
    CCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N    		 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE;
    CRA_10433
    17347 CR4
    CHEMBL433501
    DB03643
    ZINC000006040624    		 2 C14 H12 N4 O InChI=1S/C14H12N4O/c15-13
    (16)8-5-6-10-11(7-8)18-14
    (17-10)9-3-1-2-4-12(9)19/
    h1-7,19H,(H3,15,16)(H,17,
    18);
    URJKRCBBKTXOHS-UHFFFAOYSA-N    		 [O-]c3ccccc3c2nc1cc(ccc1n2)\C(=[NH2+])N;
    c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])
    N)[O-]; NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3c
    cccc3[O-]    		 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE;
    CRA_1144
    17348 CR5
    DB01797
    ZINC000012501100    		 0 C6 H10 N3 O5 InChI=1S/C6H9N3O5/c7-2-6(
    14)8-4(12)5(13)9(6)1-3(10
    )11/h14H,1-2,7H2,(H2,8,10
    ,11,12)/p+1/t6-/m1/s1;
    IMYOMVNQPPPJHU-ZCFIWIBFSA-O    		 O=C1C(O)=[N+](CC(=O)O)C(O)(N1)CN; NC[C]1
    (O)NC(=O)C(=[N+]1CC(O)=O)O; C(C(=O)O)[N+
    ]1=C(C(=O)NC1(CN)O)O; C(C(=O)O)[N+]1=C(C
    (=O)N[C@@]1(CN)O)O; NC[C@@]1(O)NC(=O)C(=
    [N+]1CC(O)=O)O    		 (2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-5-OXO-3-(2-OXOETHYL)-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM
    17349 CR6
    CHEMBL592878
    DB04544
    ZINC000005884195    		 2 C9 H16 N2 O7 InChI=1S/C9H16N2O7/c1-3(1
    3)11-9(8(10)17)7(16)6(15)
    5(14)4(2-12)18-9/h4-7,12,
    14-16H,2H2,1H3,(H2,10,17)
    (H,11,13)/t4-,5-,6+,7-,9+
    /m1/s1;
    BUPVODXECQDZQR-YCOWOFQRSA-N    		 CC(=O)NC1(C(C(C(C(O1)CO)O)O)O)C(=O)N; CC
    (=O)N[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)
    C(N)=O; CC(=O)N[C@@]1(O[C@H](CO)[C@@H](O
    )[C@H](O)[C@H]1O)C(N)=O; CC(=O)N[C@]1([C
    @@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O
    )N; O=C(NC1(OC(CO)C(O)C(O)C1O)C(=O)N)C    		 1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE
    17350 CR7
    DB04666
    ZINC000058632177    		 0 C17 H22 N4 O4 InChI=1S/C17H22N4O4/c18-8
    -2-1-3-13(19)16-20-14(17(
    25)21(16)10-15(23)24)9-11
    -4-6-12(22)7-5-11/h4-7,9,
    13,22H,1-3,8,10,18-19H2,(
    H,23,24)/b14-9-/t13-/m0/s
    1;
    WMFQEYFPYHFWRF-GFAPJHNFSA-N    		 O=C1C(\N=C(N1CC(=O)O)C(N)CCCCN)=C\c2ccc(
    O)cc2; c1cc(ccc1C=C2C(=O)N(C(=N2)C(CCCCN
    )N)CC(=O)O)O; NCCCC[CH](N)C1=NC(=Cc2ccc(
    O)cc2)C(=O)N1CC(O)=O; NCCCC[C@H](N)C1=N\
    C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O; c1cc(cc
    c1\C=C/2\C(=O)N(C(=N2)[C@H](CCCCN)N)CC(=
    O)O)O    		 [(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID;
    CHROMOPHORE (LYS-TYR-GLY)
    17351 CR8
    DB04667    		 0 C17 H16 N5 O4 InChI=1S/C17H17N5O4/c18-1
    3(6-11-7-19-9-20-11)16-21
    -14(17(26)22(16)8-15(24)2
    5)5-10-1-3-12(23)4-2-10/h
    1-5,7,9,13,26H,6,8,18H2,(
    H,19,20)(H,24,25)/p-1/t13
    -/m0/s1;
    XQYFXZGKDDMSCJ-ZDUSSCGKSA-M    		 c1c([nH]cn1)CC(c2nc(c(n2CC(=O)O)[O-])C=C
    3C=CC(=O)C=C3)N; N[CH](Cc1[nH]cnc1)c2nc(
    C=C3C=CC(=O)C=C3)c([O-])n2CC(O)=O; c1c([
    nH]cn1)C[C@@H](c2nc(c(n2CC(=O)O)[O-])C=C
    3C=CC(=O)C=C3)N; O=C1C=C/C(C=C1)=C\c2nc(
    n(c2[O-])CC(=O)O)C(N)Cc3cncn3; N[C@@H](C
    c1[nH]cnc1)c2nc(C=C3C=CC(=O)C=C3)c([O-])
    n2CC(O)=O    		 2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-5-OLATE;
    CHROMOPHORE (HIS-TYR-GLY)
    17352 CR9
    CHEMBL62807
    DB03555
    ZINC000005890661    		 5 C21 H23 F N4 O2 InChI=1S/C21H23FN4O2/c1-1
    1-5-2-3-7-17(11)28-18-8-4
    -6-12(19(18)27)21-25-15-9
    -13(20(23)24)14(22)10-16(
    15)26-21/h4,6,8-11,17,27H
    ,2-3,5,7H2,1H3,(H3,23,24)
    (H,25,26)/t11-,17-/m0/s1;
    CMCDWLMEDRBWIR-GTNSWQLSSA-N    		 [O-]c4c(OC1CCCCC1C)cccc4c3nc2cc(c(F)cc2n
    3)\C(=[NH2+])N; CC1CCCCC1Oc2cccc(c2[O-])
    c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F; C[CH]1
    CCCC[CH]1Oc2cccc(c2[O-])c3[nH]c4cc(F)c(c
    c4n3)C(N)=[NH2+]; C[C@H]1CCCC[C@@H]1Oc2c
    ccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])
    N)F; C[C@H]1CCCC[C@@H]1Oc2cccc(c2[O-])c3
    [nH]c4cc(F)c(cc4n3)C(N)=[NH2+]    		 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE;
    CRA_11092
    17353 CRA
    CHEMBL133097
    DB04013
    ZINC000004134471    		 2 C9 H16 N2 O8 InChI=1S/C9H16N2O8/c1-18-
    8(17)11-9(7(10)16)6(15)5(
    14)4(13)3(2-12)19-9/h3-6,
    12-15H,2H2,1H3,(H2,10,16)
    (H,11,17)/t3-,4-,5+,6-,9+
    /m1/s1;
    ZQTAMPRAONLFQI-FMTWGGRWSA-N    		 COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](
    O1)CO)O)O)O)C(=O)N; COC(=O)N[C]1(O[CH](C
    O)[CH](O)[CH](O)[CH]1O)C(N)=O; COC(=O)NC
    1(C(C(C(C(O1)CO)O)O)O)C(=O)N; COC(=O)N[C
    @@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)
    C(N)=O; O=C(OC)NC1(OC(CO)C(O)C(O)C1O)C(=
    O)N    		 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE
    17354 CRB
    DB02592    		 18 C8 H15 O8 P InChI=1S/C8H15O8P/c9-5-2-
    8(13,7(11)12)1-4(6(5)10)3
    -17(14,15)16/h4-6,9-10,13
    H,1-3H2,(H,11,12)(H2,14,1
    5,16)/t4-,5-,6-,8+/m1/s1;
    BKLICLLAHMTUPK-UNGCPHIMSA-N    		 C1C(C(C(CC1(C(=O)O)O)O)O)CP(=O)(O)O; C1[
    C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)
    CP(=O)(O)O; O=C(O)C1(O)CC(O)C(O)C(CP(=O)
    (O)O)C1; O[CH]1C[C](O)(C[CH](C[P](O)(O)=
    O)[CH]1O)C(O)=O; O[C@@H]1C[C@@](O)(C[C@H
    ](C[P](O)(O)=O)[C@H]1O)C(O)=O    		 [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID;
    CARBAPHOSPHONATE
    17355 CRC 0 C10 H20 O2 InChI=1/C10H20O2/c1-2-3-4
    -5-6-7-8-9-10(11)12/h2-9H
    2,1H3,(H,11,12)/f/h11H;
    GHVNFZFCNZKVNT-WXRBYKJCCC    		 CCCCCCCCCC(O)=O; CCCCCCCCCC(=O)O; O=C(O)
    CCCCCCCCC    		 CAPRIC ACID
    17356 CRD
    CHEMBL1086445
    DB04381
    ZINC000001686876    		 11 C4 H6 O InChI=1S/C4H6O/c1-2-3-4-5
    /h2-4H,1H3/b3-2+;
    MLUCVPSAIODCQM-NSCUHMNNSA-N    		 C\C=C\C=O; O=C/C=C/C; CC=CC=O (2E)-BUT-2-ENAL;
    CROTONALDEHYDE
    17357 CRE
    ZINC000263621225    		 1 C15 H24 InChI=1S/C15H24/c1-12(2)1
    5-10-8-13(3)6-5-7-14(4)9-
    11-15/h6,9,15H,1,5,7-8,10
    -11H2,2-4H3/t15-/m1/s1;
    XMRKUJJDDKYUHV-OAHLLOKOSA-N    		 CC1=CCCC(=CCC(CC1)C(=C)C)C; C1(=CCCC(=CC
    C(\C(=C)C)CC1)C)C; CC(=C)[CH]1CCC(=CCCC(
    =CC1)C)C; CC(=C)[C@@H]1CC\C(=C/CC\C(=C\C
    1)C)C; CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C    		 GERMACRENE A;
    8-ISOPROPENYL-1,5-DIMETHYL-CYCLODECA-1,5-DIENE
    17358 CRF
    DB03914
    ZINC000058649799    		 0 C17 H18 N4 O4 InChI=1S/C17H18N4O4/c1-9(
    22)15(18)16-20-13(17(25)2
    1(16)8-14(23)24)6-10-7-19
    -12-5-3-2-4-11(10)12/h2-7
    ,9,15,19,22H,8,18H2,1H3,(
    H,23,24)/b13-6-/t9-,15+/m
    1/s1;
    COQNVMWLDCUFMG-HNGJRXCUSA-N    		 C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3ccccc23)
    C(=O)N1CC(O)=O; C[C@@H](O)[C@H](N)C1=N\C
    (=C/c2c[nH]c3ccccc23)C(=O)N1CC(O)=O; C[C
    @H]([C@@H](C1=NC(=Cc2c[nH]c3c2cccc3)C(=O
    )N1CC(=O)O)N)O; CC(C(C1=NC(=Cc2c[nH]c3c2
    cccc3)C(=O)N1CC(=O)O)N)O    		 [(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
    17359 CRG
    ZINC000035263957    		 0 C12 H15 N5 O4 InChI=1S/C12H15N5O4/c1-6(
    18)10(13)11-16-8(2-7-3-14
    -5-15-7)12(21)17(11)4-9(1
    9)20/h2-3,5-6,10,18H,4,13
    H2,1H3,(H,14,15)(H,19,20)
    /b8-2-/t6-,10+/m1/s1;
    DNKOENNEBPQUKF-GGQHHNJVSA-N    		 O=C1C(\N=C(N1CC(=O)O)C(N)C(O)C)=C\c2ncnc
    2; CC(C(C1=NC(=Cc2c[nH]cn2)C(=O)N1CC(=O)
    O)N)O; C[C@H]([C@@H](C1=N/C(=C\c2c[nH]cn
    2)/C(=O)N1CC(=O)O)N)O; C[C@@H](O)[C@H](N
    )C1=N\C(=C/c2c[nH]cn2)C(=O)N1CC(O)=O; C[
    CH](O)[CH](N)C1=NC(=Cc2c[nH]cn2)C(=O)N1C
    C(O)=O    		 [2-(1-AMINO-2-HYDROXY-PROPYL)-4-(3H-IMIDAZOL-4-YLMETHYLENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
    17360 CRH
    ZINC000031262526    		 0 C21 H24 O7 InChI=1S/C21H24O7/c1-9-4-
    5-11-6-12-7-13(21(28-3)20
    (27)18(25)10(2)22)8-14(23
    )15(12)19(26)16(11)17(9)2
    4/h4-6,10,13,18,21-22,24-
    26H,7-8H2,1-3H3/t10-,13-,
    18+,21+/m1/s1;
    XBKVKSRQTHGEJA-FAGSEQTRSA-N    		 Cc1ccc2cc3c(c(c2c1O)O)C(=O)CC(C3)C(C(=O)
    C(C(C)O)O)OC; Cc1ccc2cc3c(c(c2c1O)O)C(=O
    )C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O
    )O)OC; CO[C@@H]([C@H]1CC(=O)c2c(O)c3c(O)
    c(C)ccc3cc2C1)C(=O)[C@@H](O)[C@@H](C)O;
    O=C(C(O)C(O)C)C(OC)C3CC(=O)c2c(cc1ccc(c(
    O)c1c2O)C)C3; CO[CH]([CH]1CC(=O)c2c(O)c3
    c(O)c(C)ccc3cc2C1)C(=O)[CH](O)[CH](C)O    		 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE
    17361 CRI
    DB07586
    ZINC000016051592    		 4 C24 H23 N3 O4 InChI=1S/C24H23N3O4/c1-15
    -4-6-17(7-5-15)22(28)25-2
    1-13-19(12-20(14-21)24(30
    )27(2)3)16-8-10-18(11-9-1
    6)23(29)26-31/h4-14,31H,1
    -3H3,(H,25,28)(H,26,29);
    DOPFUKKMSDUVTQ-UHFFFAOYSA-N    		 O=C(c1ccc(cc1)C)Nc3cc(C(=O)N(C)C)cc(c2cc
    c(C(=O)NO)cc2)c3; Cc1ccc(cc1)C(=O)Nc2cc(
    cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO; CN(C
    )C(=O)c1cc(NC(=O)c2ccc(C)cc2)cc(c1)c3ccc
    (cc3)C(=O)NO    		 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE
    17362 CRJ
    DB07587
    ZINC000036470913    		 2 C20 H22 F4 N4 O4 S InChI=1S/C20H22F4N4O4S/c2
    1-13-3-1-12(2-4-13)17(20(
    22,23)24)27-15(18(30)28-1
    9(11-25)7-8-19)10-33(31,3
    2)9-14-5-6-16(29)26-14/h1
    -4,14-15,17,27H,5-10H2,(H
    ,26,29)(H,28,30)/t14-,15-
    ,17-/m0/s1;
    JLPXDVXMMYRTKN-ZOBUZTSGSA-N    		 c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(
    =O)C[C@@H]2CCC(=O)N2)C(=O)NC3(CC3)C#N)F;
    c1cc(ccc1C(C(F)(F)F)NC(CS(=O)(=O)CC2CCC
    (=O)N2)C(=O)NC3(CC3)C#N)F; O=C3NC(CS(=O)
    (=O)CC(C(=O)NC1(C#N)CC1)NC(c2ccc(F)cc2)C
    (F)(F)F)CC3; Fc1ccc(cc1)[CH](N[CH](C[S](
    =O)(=O)C[CH]2CCC(=O)N2)C(=O)NC3(CC3)C#N)
    C(F)(F)F; Fc1ccc(cc1)[C@H](N[C@@H](C[S](
    =O)(=O)C[C@@H]2CCC(=O)N2)C(=O)NC3(CC3)C#
    N)C(F)(F)F    		 N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETH YL]-L-ALANINAMIDE;
    N-(1-CYANO-CYCLOPROPYL)-3-(5-OXO-PYRROLIDIN-2-YLMETHANESULFONYL)-2-[2,2,2-TR IFLUORO-1-(4-FLUORO-PHENYL)-ETHYLAMINO]-PROPIONAMIDE
    17363 CRK
    DB02781    		 0 C16 H15 N2 O5 S InChI=1S/C16H16N2O5S/c1-2
    4-7-6-13(20)15-17-12(16(2
    3)18(15)9-14(21)22)8-10-2
    -4-11(19)5-3-10/h2-5,8,19
    H,6-7,9H2,1H3,(H,21,22)/p
    -1/b12-8+;
    RFUOIMPCLYYIPW-XYOKQWHBSA-M    		 CSCCC(=O)C1=NC(=Cc2ccc([O-])cc2)C(=O)N1C
    C(O)=O; O=C(C1=N/C(C(=O)N1CC=O)=C/c2ccc(
    [O-])cc2)CCSC; CSCCC(=O)C1=NC(=Cc2ccc(cc
    2)[O-])C(=O)N1CC(=O)O; CSCCC(=O)C1=N/C(=
    C/c2ccc(cc2)[O-])/C(=O)N1CC(=O)O; CSCCC(
    =O)C1=NC(=C/c2ccc([O-])cc2)/C(=O)N1CC(O)
    =O    		 4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE
    17364 CRL
    ZINC000196111603    		 2 C17 H30 N4 O5 S Si InChI=1S/C17H30N4O5SSi/c1
    -28(2,3)12-14(19-16(23)21
    -6-8-26-9-7-21)15(22)20-1
    7(13-18)4-10-27(24,25)11-
    5-17/h14H,4-12H2,1-3H3,(H
    ,19,23)(H,20,22)/t14-/m0/
    s1;
    VASVHRZIUGJLOH-AWEZNQCLSA-N    		 C[Si](C)(C)C[CH](NC(=O)N1CCOCC1)C(=O)NC2
    (CC[S](=O)(=O)CC2)C#N; C[Si](C)(C)C[C@@H
    ](C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CC
    OCC2; C[Si](C)(C)C[C@H](NC(=O)N1CCOCC1)C
    (=O)NC2(CC[S](=O)(=O)CC2)C#N; C[Si](C)(C
    )CC(C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2
    CCOCC2; O=S2(=O)CCC(C#N)(NC(=O)C(NC(=O)N
    1CCOCC1)C[Si](C)(C)C)CC2    		 N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINO]-2-OXO-1-[(TRIMETHYLSILYL)METHYL]ETHYL}MORPHOLINE-4-CARBOXAMIDE
    17365 CRM
    DB03883
    ZINC000012504250    		 22 C14 H18 N4 O9 InChI=1S/C14H18N4O9/c19-4
    -7(21)10(24)6(20)3-18-11-
    9(12(25)17-14(27)16-11)15
    -5(13(18)26)1-2-8(22)23/h
    6-7,10,19-21,24H,1-4H2,(H
    ,22,23)(H2,16,17,25,27)/t
    6-,7+,10-/m0/s1;
    PTYCEIBBGGLADD-PJKMHFRUSA-N    		 OC[CH](O)[CH](O)[CH](O)CN1C(=O)C(=NC2=C1
    NC(=O)NC2=O)CCC(O)=O; C(CC(=O)O)C1=NC2=C
    (NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O; C(C
    C(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@
    H]([C@@H]([C@@H](CO)O)O)O; OC[C@@H](O)[C
    @@H](O)[C@@H](O)CN1C(=O)C(=NC2=C1NC(=O)N
    C2=O)CCC(O)=O; O=C1NC(=O)NC=2N(C(=O)C(=N
    C1=2)CCC(=O)O)CC(O)C(O)C(O)CO    		 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID;
    CARBOXYETHYLLUMAZINE
    17366 CRN
    CHEMBL283800
    DB00148
    ZINC000003861770    		 28 C4 H9 N3 O2 InChI=1S/C4H9N3O2/c1-7(4(
    5)6)2-3(8)9/h2H2,1H3,(H3,
    5,6)(H,8,9);
    CVSVTCORWBXHQV-UHFFFAOYSA-N    		 CN(CC(O)=O)C(N)=N; CN(CC(=O)O)C(=N)N; O=
    C(O)CN(C(=[N@H])N)C    		 N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE;
    CREATINE
    17367 CRO
    DB04567
    ZINC000058631965    		 0 C15 H17 N3 O5 InChI=1S/C15H17N3O5/c1-8(
    19)13(16)14-17-11(15(23)1
    8(14)7-12(21)22)6-9-2-4-1
    0(20)5-3-9/h2-6,8,13,19-2
    0H,7,16H2,1H3,(H,21,22)/b
    11-6-/t8-,13+/m1/s1;
    UZCDFHUXSDKGEZ-NGDPAIJVSA-N    		 C[C@@H](O)[C@H](N)C1=N\C(=C/c2ccc(O)cc2)
    C(=O)N1CC(O)=O; CC(C(C1=NC(=Cc2ccc(cc2)O
    )C(=O)N1CC(=O)O)N)O; C[C@H]([C@@H](C1=N/
    C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N)O; C[
    CH](O)[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1
    CC(O)=O; O=C1C(\N=C(N1CC(=O)O)C(N)C(O)C)
    =C\c2ccc(O)cc2    		 {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    17368 CRP
    CHEMBL147792
    DB02946
    ZINC000006424732    		 4 C15 H18 Cl3 N O InChI=1S/C15H18Cl3NO/c1-4
    -14(10(3)15(14,17)18)13(2
    0)19-9(2)11-5-7-12(16)8-6
    -11/h5-10H,4H2,1-3H3,(H,1
    9,20)/t9-,10-,14+/m1/s1;
    RXDMAYSSBPYBFW-RULNRJAQSA-N    		 CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)
    c2ccc(Cl)cc2; CC[C]1([CH](C)C1(Cl)Cl)C(=
    O)N[CH](C)c2ccc(Cl)cc2; CC[C@]1([C@H](C1
    (Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl; CCC
    1(C(C1(Cl)Cl)C)C(=O)NC(C)c2ccc(cc2)Cl; O
    =C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl    		 ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE;
    CARPROPAMID
    17369 CRQ 2 C16 H16 N4 O5 InChI=1S/C16H16N4O5/c17-1
    1(5-6-13(18)22)15-19-12(1
    6(25)20(15)8-14(23)24)7-9
    -1-3-10(21)4-2-9/h1-4,7,1
    7,21H,5-6,8H2,(H2,18,22)(
    H,23,24)/b12-7-,17-11+;
    AKDAWRYTXGWULZ-KAOAWJDNSA-N    		 NC(=O)CCC(=N)C1=N\C(=C/c2ccc(O)cc2)C(=O)
    N1CC(O)=O; c1cc(ccc1/C=C\2/C(=O)N(C(=N2)
    C(=N)CCC(=O)N)CC(=O)O)O; NC(=O)CCC(=N)C1
    =NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O; c1cc(c
    cc1C=C2C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)
    O)O; O=C1C(\N=C(C(=[N@H])CCC(=O)N)N1CC(=
    O)O)=C\c2ccc(O)cc2    		 [2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID;
    CHROMOPHORE (GLN-TYR-GLY)
    17370 CRR
    CHEMBL491841
    DB07588    		 3 C22 H15 N3 O4 InChI=1S/C22H15N3O4/c26-2
    1(27)19-17(13-9-23-15-7-3
    -1-5-11(13)15)18(20(25-19
    )22(28)29)14-10-24-16-8-4
    -2-6-12(14)16/h1-10,23-25
    H,(H,26,27)(H,28,29);
    FZDVNXHYGMEEDT-UHFFFAOYSA-N    		 O=C(O)c5c(c2c1ccccc1nc2)c(c4c3ccccc3nc4)
    c(C(=O)O)n5; OC(=O)c1[nH]c(C(O)=O)c(c2c[
    nH]c3ccccc23)c1c4c[nH]c5ccccc45; c1ccc2c
    (c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c
    4c[nH]c5c4cccc5    		 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID;
    CHROMOPYRROLIC ACID
    17371 CRS
    CHEMBL298312
    DB01776
    ZINC000000897141    		 14 C7 H8 O InChI=1S/C7H8O/c1-6-3-2-4
    -7(8)5-6/h2-5,8H,1H3;
    RLSSMJSEOOYNOY-UHFFFAOYSA-N    		 Oc1cc(ccc1)C; Cc1cccc(c1)O; Cc1cccc(O)c1 M-CRESOL
    17372 CRT
    ZINC000064426309    		 1429 C42 H60 O2 InChI=1S/C42H60O2/c1-35(2
    3-15-25-37(3)27-17-29-39(
    5)31-19-33-41(7,8)43-11)2
    1-13-14-22-36(2)24-16-26-
    38(4)28-18-30-40(6)32-20-
    34-42(9,10)44-12/h13-32H,
    33-34H2,1-12H3/b14-13-,23
    -15+,24-16+,27-17+,28-18+
    ,31-19+,32-20+,35-21+,36-
    22+,37-25+,38-26+,39-29+,
    40-30+;
    VAZQBTJCYODOSV-RISZBRKMSA-N    		 O(C)C(C)(C)C/C=C/C(=C/C=C/C(=C/C=C/C(=C/
    C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\CC(OC)(C)
    C)C)C)C)C)C)C; CC(=CC=CC(=CC=CC(=CC=CC=C
    (C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C
    =CCC(C)(C)OC; C/C(=C\C=C\C(=C\C=C\C(=C\C
    =C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C
    C(C)(C)OC)\C)\C)/C=CCC(C)(C)OC; COC(C)(C
    )C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C/
    C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C
    )OC; COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)
    =CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)
    OC    		 SPIRILLOXANTHIN;
    RHODOVIOLASCIN
    17373 CRU
    DB04668    		 2 C16 H15 N3 O6 InChI=1S/C16H15N3O6/c17-1
    1(5-6-13(21)22)15-18-12(1
    6(25)19(15)8-14(23)24)7-9
    -1-3-10(20)4-2-9/h1-4,7,1
    7,20H,5-6,8H2,(H,21,22)(H
    ,23,24)/b12-7+,17-11-;
    HQWMTGYOYORUQE-ZLCHUIHLSA-N    		 c1cc(ccc1C=C2C(=O)N(C(=N2)C(=N)CCC(=O)O)
    CC(=O)O)O; [H]/N=C(/CCC(=O)O)\C1=N/C(=C/
    c2ccc(cc2)O)/C(=O)N1CC(=O)O; OC(=O)CCC(=
    N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O; OC
    (=O)CCC(=N)C1=N\C(=C\c2ccc(O)cc2)C(=O)N1
    CC(O)=O; O=C1C(\N=C(C(=[N@H])CCC(=O)O)N1
    CC(=O)O)=C/c2ccc(O)cc2    		 4-[(4Z)-1-(CARBOXYMETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL]-4-IMINOBUTANOIC ACID;
    CHROMOPHORE (GLU-TYR-GLY)
    17374 CRV
    DB07589
    ZINC000016052050    		 2 C22 H26 F3 N3 O4 S InChI=1S/C22H26F3N3O4S/c2
    3-22(24,25)19(16-6-8-17(2
    9)9-7-16)27-18(20(30)28-2
    1(14-26)10-11-21)13-33(31
    ,32)12-15-4-2-1-3-5-15/h1
    -9,18-19,27,29H,10-14,26H
    2,(H,28,30)/t18-,19-/m0/s
    1;
    DWWVPKCSDHDILN-OALUTQOASA-N    		 NCC1(CC1)NC(=O)[CH](C[S](=O)(=O)Cc2ccccc
    2)N[CH](c3ccc(O)cc3)C(F)(F)F; c1ccc(cc1)
    CS(=O)(=O)C[C@@H](C(=O)NC2(CC2)CN)N[C@@H
    ](c3ccc(cc3)O)C(F)(F)F; O=C(NC1(CN)CC1)C
    (NC(c2ccc(O)cc2)C(F)(F)F)CS(=O)(=O)Cc3cc
    ccc3; NCC1(CC1)NC(=O)[C@H](C[S](=O)(=O)C
    c2ccccc2)N[C@@H](c3ccc(O)cc3)C(F)(F)F; c
    1ccc(cc1)CS(=O)(=O)CC(C(=O)NC2(CC2)CN)NC
    (c3ccc(cc3)O)C(F)(F)F    		 N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE
    17375 CRW 0 C8 H11 N3 O3 InChI=1S/C8H11N3O3/c1-4(9
    )7-10-5(2)8(14)11(7)3-6(1
    2)13/h4H,2-3,9H2,1H3,(H,1
    2,13)/t4-/m0/s1;
    OVDQQXSNYCENRU-BYPYZUCNSA-N    		 C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N; C[C@H
    ](N)C1=NC(=C)C(=O)N1CC(O)=O; CC(C1=NC(=C
    )C(=O)N1CC(=O)O)N; C[CH](N)C1=NC(=C)C(=O
    )N1CC(O)=O; O=C1C(\N=C(N1CC(=O)O)C(N)C)=
    C    		 [2-(1-AMINOETHYL)-4-METHYLENE-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID;
    CHROMOPHORE (ALA-SER-GLY)
    17376 CRX
    ZINC000103537280    		 0 C8 H13 N3 O4 InChI=1S/C8H13N3O4/c1-4-7
    (14)11(3-6(12)13)8(15,10-
    4)5(2)9/h5,10,15H,1,3,9H2
    ,2H3,(H,12,13)/t5-,8+/m0/
    s1;
    KGHMLYAJQPCDLM-YLWLKBPMSA-N    		 O=C(O)CN1C(=O)/C(NC1(O)C(N)C)=C; C[C@H](
    N)[C@@]1(O)NC(=C)C(=O)N1CC(O)=O; C[C@@H]
    ([C@]1(NC(=C)C(=O)N1CC(=O)O)O)N; C[CH](N
    )[C]1(O)NC(=C)C(=O)N1CC(O)=O; CC(C1(NC(=
    C)C(=O)N1CC(=O)O)O)N    		 [2-(1-AMINOETHYL)-2-HYDROXY-4-METHYLENE-5-OXOIMIDAZOLIDIN-1-YL]ACETIC ACID;
    CHROMOPHORE (ALA-SER-GLY)
    17377 CRY 0 C3 H8 O3 InChI=1/C3H8O3/c4-1-3(6)2
    -5/h3-6H,1-2H2;
    PEDCQBHIVMGVHV-UHFFFAOYAF    		 C(C(CO)O)O; OCC(O)CO PROPANE-1,2,3-TRIOL;
    GLYCEROL
    17378 CRZ
    CHEMBL185595
    DB03851    		 1 C16 H15 N O2 InChI=1S/C16H15NO2/c18-16
    (19)10-5-11-17-14-8-3-1-6
    -12(14)13-7-2-4-9-15(13)1
    7/h1-4,6-9H,5,10-11H2,(H,
    18,19);
    HQAKVYGASUTQHH-UHFFFAOYSA-N    		 O=C(O)CCCn3c1ccccc1c2c3cccc2; OC(=O)CCCn
    1c2ccccc2c3ccccc13; c1ccc2c(c1)c3ccccc3n
    2CCCC(=O)O    		 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID;
    CARBAZOLE BUTANOIC ACID
    17379 CS 20 Cs InChI=1S/Cs/q+1;
    NCMHKCKGHRPLCM-UHFFFAOYSA-N    		 [Cs+] CESIUM ION
    17380 CS0 0 C5 H11 N O3 S InChI=1/C5H11NO3S/c6-4(5(
    8)9)3-10-2-1-7/h4,7H,1-3,
    6H2,(H,8,9)/t4-/m0/s1/f/h
    8H;
    MWFRVMDVLYIXJF-PLBDYLFSDT    		 C(CSC[C@@H](C(=O)O)N)O; N[CH](CSCCO)C(O)
    =O; N[C@@H](CSCCO)C(O)=O; O=C(O)C(N)CSCC
    O; C(CSCC(C(=O)O)N)O    		 S-(2-HYDROXYETHYL)-L-CYSTEINE
    17381 CS1
    ZINC000058632180    		 0 C9 H12 N2 O2 S2 InChI=1S/C9H12N2O2S2/c10-
    6-3-1-2-4-8(6)15-14-5-7(1
    1)9(12)13/h1-4,7H,5,10-11
    H2,(H,12,13)/t7-/m0/s1;
    ZHCKRZMSUKPEHB-ZETCQYMHSA-N    		 c1ccc(c(c1)N)SSC[C@@H](C(=O)O)N; N[C@@H]
    (CSSc1ccccc1N)C(O)=O; N[CH](CSSc1ccccc1N
    )C(O)=O; c1ccc(c(c1)N)SSCC(C(=O)O)N; O=C
    (O)C(N)CSSc1ccccc1N    		 S-(2-ANILINYL-SULFANYL)-CYSTEINE;
    3-[(2-AMINOPHENYL)DITHIO]-L-ALANINE
    17382 CS2
    ZINC000002040884    		 26 C6 H12 O7 InChI=1S/C6H12O7/c7-1-2(8
    )3(9)4(10)5(11)6(12)13/h2
    -5,7-11H,1H2,(H,12,13)/t2
    -,3-,4+,5+/m1/s1;
    RGHNJXZEOKUKBD-MBMOQRBOSA-N    		 C(C(C(C(C(C(=O)O)O)O)O)O)O; OC[CH](O)[CH
    ](O)[CH](O)[CH](O)C(O)=O; C([C@H]([C@H](
    [C@@H]([C@@H](C(=O)O)O)O)O)O)O; O=C(O)C(
    O)C(O)C(O)C(O)CO; OC[C@@H](O)[C@@H](O)[C
    @H](O)[C@H](O)C(O)=O    		 D-MANNONIC ACID;
    D-MANNONATE
    17383 CS3
    ZINC000058632416    		 0 C10 H13 N O3 S2 InChI=1S/C10H13NO3S2/c11-
    7(10(13)14)6-15-5-3-8(12)
    9-2-1-4-16-9/h1-2,4,7H,3,
    5-6,11H2,(H,13,14)/t7-/m0
    /s1;
    QMUFEUHDBQFJTK-ZETCQYMHSA-N    		 O=C(c1sccc1)CCSCC(C(=O)O)N; N[CH](CSCCC(
    =O)c1sccc1)C(O)=O; c1cc(sc1)C(=O)CCSCC(C
    (=O)O)N; c1cc(sc1)C(=O)CCSC[C@@H](C(=O)O
    )N; N[C@@H](CSCCC(=O)c1sccc1)C(O)=O    		 S-[3-OXO-3-(2-THIENYL)PROPYL]-L-CYSTEINE;
    (R)-2-AMINO-3-(3-OXO-3-(THIOPHEN-2-YL)PROPYLTHIO)PROPANOIC ACID
    17384 CS4
    DB07590
    ZINC000053683099    		 0 C12 H13 Cl2 N O3 S InChI=1S/C12H13Cl2NO3S/c1
    3-8-2-1-7(5-9(8)14)11(16)
    3-4-19-6-10(15)12(17)18/h
    1-2,5,10H,3-4,6,15H2,(H,1
    7,18)/t10-/m0/s1;
    WBRMJWLALJKZJY-JTQLQIEISA-N    		 c1cc(c(cc1C(=O)CCSCC(C(=O)O)N)Cl)Cl; c1c
    c(c(cc1C(=O)CCSC[C@@H](C(=O)O)N)Cl)Cl; N
    [CH](CSCCC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O; C
    lc1ccc(C(=O)CCSCC(C(=O)O)N)cc1Cl; N[C@@H
    ](CSCCC(=O)c1ccc(Cl)c(Cl)c1)C(O)=O    		 S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE;
    (R)-2-AMINO-3-(3-(3,4-DICHLOROPHENYL)-3-OXOPROPYLTHIO)PROPANOIC ACID
    17385 CS5
    CHEMBL221597
    ZINC000003965949    		 4 C33 H41 F2 N3 O4 InChI=1S/C33H41F2N3O4/c1-
    5-10-38(11-6-2)33(41)26-1
    3-22(3)12-25(18-26)32(40)
    37-30(17-24-14-27(34)19-2
    8(35)15-24)31(39)21-36-20
    -23-8-7-9-29(16-23)42-4/h
    7-9,12-16,18-19,30-31,36,
    39H,5-6,10-11,17,20-21H2,
    1-4H3,(H,37,40)/t30-,31+/
    m0/s1;
    JEEOUWBWJFSMIP-IOWSJCHKSA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c
    c(c2)F)F)C(CNCc3cccc(c3)OC)O)C; CCCN(CCC
    )C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc
    (F)c2)[CH](O)CNCc3cccc(OC)c3; O=C(N(CCC)
    CCC)c1cc(cc(c1)C(=O)NC(Cc2cc(F)cc(F)c2)C
    (O)CNCc3cc(OC)ccc3)C; CCCN(CCC)C(=O)c1cc
    (cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@
    H](CNCc3cccc(c3)OC)O)C; CCCN(CCC)C(=O)c1
    cc(C)cc(c1)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)
    [C@H](O)CNCc3cccc(OC)c3    		 N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
    17386 CS7
    CHEMBL270359
    ZINC000016052459    		 2 C35 H43 F2 N3 O4 InChI=1S/C35H43F2N3O4/c1-
    4-11-40(12-5-2)35(43)27-1
    4-23(3)13-26(18-27)34(42)
    39-32(17-25-15-28(36)19-2
    9(37)16-25)33(41)31-20-30
    (21-38-31)44-22-24-9-7-6-
    8-10-24/h6-10,13-16,18-19
    ,30-33,38,41H,4-5,11-12,1
    7,20-22H2,1-3H3,(H,39,42)
    /t30-,31-,32+,33-/m1/s1;
    GZHSLBYVXGDJDF-NXVJRICRSA-N    		 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc
    2cc(F)cc(F)c2)[CH](O)[CH]3C[CH](CN3)OCc4
    ccccc4; CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)
    N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]3C[
    C@H](CN3)OCc4ccccc4; O=C(N(CCC)CCC)c1cc(
    cc(c1)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4NCC(
    OCc3ccccc3)C4)C; CCCN(CCC)C(=O)c1cc(cc(c
    1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3CC(CN3)OCc
    4ccccc4)O)C; CCCN(CCC)C(=O)c1cc(cc(c1)C(
    =O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3
    C[C@H](CN3)OCc4ccccc4)O)C    		 N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
    17387 CS8
    DB03415
    ZINC000096068405    		 4 C28 H48 N7 O17 P3 S2 InChI=1S/C28H48N7O17P3S2/
    c1-4-5-6-10-56-13-19(37)5
    7-11-9-30-18(36)7-8-31-26
    (40)23(39)28(2,3)14-49-55
    (46,47)52-54(44,45)48-12-
    17-22(51-53(41,42)43)21(3
    8)27(50-17)35-16-34-20-24
    (29)32-15-33-25(20)35/h15
    -17,21-23,27,38-39H,4-14H
    2,1-3H3,(H,30,36)(H,31,40
    )(H,44,45)(H,46,47)(H2,29
    ,32,33)(H2,41,42,43)/t17-
    ,21-,22-,23+,27-/m1/s1;
    JMFXDZKFFYUOAN-SVHODSNWSA-N    		 O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(
    O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C
    3OP(=O)(O)O)CSCCCCC; CCCCCSCC(=O)SCCNC(=
    O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC
    C1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
    ; CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(
    C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[
    C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP
    (=O)(O)O)O; CCCCCSCC(=O)SCCNC(=O)CCNC(=O
    )[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC
    [CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cn
    c3c(N)ncnc23; CCCCCSCC(=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    		 3-THIAOCTANOYL-COENZYME A
    17388 CS9
    CHEMBL403727
    ZINC000016052458    		 2 C34 H41 F2 N3 O4 InChI=1S/C34H41F2N3O4/c1-
    4-11-39(12-5-2)34(42)25-1
    4-22(3)13-24(18-25)33(41)
    38-31(17-23-15-26(35)19-2
    7(36)16-23)32(40)30-20-29
    (21-37-30)43-28-9-7-6-8-1
    0-28/h6-10,13-16,18-19,29
    -32,37,40H,4-5,11-12,17,2
    0-21H2,1-3H3,(H,38,41)/t2
    9-,30-,31+,32-/m1/s1;
    YDCNYSQITCUGST-FEFKUCBWSA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc
    2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)Oc
    4ccccc4)O)C; CCCN(CCC)C(=O)c1cc(C)cc(c1)
    C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3C
    [CH](CN3)Oc4ccccc4; CCCN(CCC)C(=O)c1cc(C
    )cc(c1)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H
    ](O)[C@H]3C[C@H](CN3)Oc4ccccc4; CCCN(CCC
    )C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F
    )C(C3CC(CN3)Oc4ccccc4)O)C; O=C(N(CCC)CCC
    )c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(
    O)C4NCC(Oc3ccccc3)C4    		 N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
    17389 CSA
    DB03858
    ZINC000006761318    		 0 C6 H11 N O3 S InChI=1S/C6H11NO3S/c1-4(8
    )2-11-3-5(7)6(9)10/h5H,2-
    3,7H2,1H3,(H,9,10)/t5-/m0
    /s1;
    BYMSHHJFWDLNBG-YFKPBYRVSA-N    		 CC(=O)CSC[C@H](N)C(O)=O; CC(=O)CSCC(C(=O
    )O)N; O=C(O)C(N)CSCC(=O)C; CC(=O)CSC[C@@
    H](C(=O)O)N; CC(=O)CSC[CH](N)C(O)=O    		 S-ACETONYLCYSTEINE
    17390 CSB 0 C3 H6 N O2 Pb S InChI=1S/C3H7NO2S.Pb.2H/c
    4-2(1-7)3(5)6;;;/h2,7H,1,
    4H2,(H,5,6);;;/q;+2;;/p-1
    /t2-;;;/m0.../s1;
    KYXRXTHUWWTZJI-SQGDDOFFSA-M    		 C([C@@H](C(=O)O)N)S[Pb+]; N[CH](CS[Pb+])
    C(O)=O; N[C@@H](CS[Pb+])C(O)=O; C(C(C(=O
    )O)N)S[Pb+]    		 CYS BOUND TO LEAD ION
    17391 CSC 25 C16 H22 N3 O8 S InChI=1S/C16H21N3O8S/c1-7
    (20)27-5-8-6-28-14-11(13(
    22)19(14)12(8)16(25)26)18
    -10(21)4-2-3-9(17)15(23)2
    4/h9,11,14H,2-6,17H2,1H3,
    (H,18,21)(H,23,24)(H,25,2
    6)/p+1/t9-,11-,14-/m1/s1;
    HOKIDJSKDBPKTQ-GLXFQSAKSA-O    		 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC
    [C@@H]([NH3+])C(O)=O)C2=O)C(O)=O; CC(=O)
    OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)[NH3
    +])SC1)C(=O)O; CC(=O)OCC1=C(N2[C@@H]([C@
    @H](C2=O)NC(=O)CCC[C@H](C(=O)O)[NH3+])SC
    1)C(=O)O; CC(=O)OCC1=C(N2[CH](SC1)[CH](N
    C(=O)CCC[CH]([NH3+])C(O)=O)C2=O)C(O)=O;
    O=C2N1C(=C(CSC1C2NC(=O)CCCC(C(=O)O)[NH3+
    ])COC(=O)C)C(=O)O    		 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM;
    CEPHALOSPORIN C
    17392 CSD
    CHEMBL1160508
    DB02153
    ZINC000019419008    		 0 C3 H7 N O4 S InChI=1S/C3H7NO4S/c4-2(3(
    5)6)1-9(7)8/h2H,1,4H2,(H,
    5,6)(H,7,8)/t2-/m0/s1;
    ADVPTQAUNPRNPO-REOHCLBHSA-N    		 O=C(O)C(N)CS(=O)O; N[C@@H](C[S](O)=O)C(O
    )=O; C(C(C(=O)O)N)S(=O)O; N[CH](C[S](O)=
    O)C(O)=O; C([C@@H](C(=O)O)N)[S@@](=O)O    		 3-SULFINOALANINE;
    S-CYSTEINESULFINIC ACID;
    S-SULFINOCYSTEINE
    17393 CSE 0 C3 H7 N O2 Se InChI=1S/C3H7NO2Se/c4-2(1
    -7)3(5)6/h2,7H,1,4H2,(H,5
    ,6)/t2-/m0/s1;
    ZKZBPNGNEQAJSX-REOHCLBHSA-N    		 O=C(O)C(N)C[SeH]; C(C(C(=O)O)N)[SeH]; C(
    [C@@H](C(=O)O)N)[SeH]; N[C@@H](C[SeH])C(
    O)=O; N[CH](C[SeH])C(O)=O    		 SELENOCYSTEINE
    17394 CSF
    ZINC000024734081    		 19 C20 H30 F N4 O16 P InChI=1S/C20H30FN4O16P/c1
    -6(27)23-10-13(31)16(21)2
    0(18(33)34,40-15(10)11(29
    )7(28)4-26)41-42(36,37)38
    -5-8-12(30)14(32)17(39-8)
    25-3-2-9(22)24-19(25)35/h
    2-3,7-8,10-17,26,28-32H,4
    -5H2,1H3,(H,23,27)(H,33,3
    4)(H,36,37)(H2,22,24,35)/
    t7-,8-,10-,11-,12-,13-,14
    -,15-,16-,17-,20-/m1/s1;
    HNJLGUNKGJTPBF-JTKQZVQZSA-N    		 CC(=O)N[CH]1[CH](O)[CH](F)[C](O[CH]1[CH]
    (O)[CH](O)CO)(O[P](O)(=O)OC[CH]2O[CH]([C
    H](O)[CH]2O)N3C=CC(=NC3=O)N)C(O)=O; CC(=
    O)N[C@@H]1[C@@H](O)[C@@H](F)[C@@](O[C@H]
    1[C@H](O)[C@H](O)CO)(O[P@@](O)(=O)OC[C@H
    ]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=NC3=O)
    N)C(O)=O; CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(
    C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3
    =O)N)O)O)F)O; CC(=O)N[C@@H]1[C@H]([C@H](
    C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[
    P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2
    )N3C=CC(=NC3=O)N)O)O)F)O; FC3C(O)C(NC(=O
    )C)C(OC3(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=
    C1)C(O)C2O)C(=O)O)C(O)C(O)CO    		 CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID;
    CMP-3FNEUAC
    17395 CSG
    ZINC000058633440    		 1 C9 H17 N4 O13 P3 InChI=1S/C9H17N4O13P3/c10
    -5-1-2-13(9(15)12-5)8-6(1
    1)7(14)4(24-8)3-23-28(19,
    20)26-29(21,22)25-27(16,1
    7)18/h1-2,4,6-8,14H,3,11H
    2,(H,19,20)(H,21,22)(H2,1
    0,12,15)(H2,16,17,18)/t4-
    ,6-,7-,8-/m1/s1;
    WNVZQYHBHSLUHJ-XVFCMESISA-N    		 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP
    (=O)(O)OP(=O)(O)O)O)N; C1=CN(C(=O)N=C1N)
    [C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(
    O)O[P@@](=O)(O)OP(=O)(O)O)O)N; N[C@@H]1[
    C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)
    O[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=O)N; O=P
    (O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=
    C(N)C=C1)C(N)C2O; N[CH]1[CH](O)[CH](CO[P
    ](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1N2
    C=CC(=NC2=O)N    		 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate);
    2'-amino-2'-deoxycytidine-5'-triphosphate
    17396 CSH
    ZINC000058633443    		 0 C11 H17 N5 O4 InChI=1S/C11H17N5O4/c12-7
    (4-17)10-15-8(1-6-2-13-5-
    14-6)11(20)16(10)3-9(18)1
    9/h2,5,7-8,10,15,17H,1,3-
    4,12H2,(H,13,14)(H,18,19)
    /t7-,8-,10-/m0/s1;
    QHHYSJJZGWVBMV-NRPADANISA-N    		 N[C@@H](CO)[C@H]1N[C@@H](Cc2c[nH]cn2)C(=
    O)N1CC(O)=O; O=C1N(CC(=O)O)C(NC1Cc2ncnc2
    )C(N)CO; c1c(nc[nH]1)CC2C(=O)N(C(N2)C(CO
    )N)CC(=O)O; N[CH](CO)[CH]1N[CH](Cc2c[nH]
    cn2)C(=O)N1CC(O)=O; c1c(nc[nH]1)CC2C(=O)
    N(C(N2)[C@H](CO)N)CC(=O)O    		 [2-(2-HYDROXY-1-METHYL-ETHYL)-4-(1H-IMIDAZOL-4-YLMETHYL)-5-OXO-IMIDAZOLIDIN-1-YL]-ACETIC ACID
    17397 CSI
    ZINC000098208763    		 0 C7 H12 N4 O4 InChI=1S/C7H12N4O4/c8-6-9
    -2-1-3(10-6)4(5(12)13)11-
    7(14)15/h3-4,11H,1-2H2,(H
    ,12,13)(H,14,15)(H3,8,9,1
    0)/t3-,4+/m1/s1;
    SMMZNNCDNODIPP-DMTCNVIQSA-N    		 OC(=O)N[CH]([CH]1CCNC(=N)N1)C(O)=O; OC(=
    O)N[C@@H]([C@H]1CCNC(=N)N1)C(O)=O; C1CNC
    (=N)NC1C(C(=O)O)NC(=O)O; [H]/N=C\1/NCC[C
    @@H](N1)[C@@H](C(=O)O)NC(=O)O; N1\C(=N)N
    C(CC1)C(NC(=O)O)C(=O)O    		 AMINO-(2-IMINO-HEXAHYDRO-PYRIMIDIN-4-YL)-ACETIC ACID
    17398 CSJ
    ZINC000058638350    		 0 C10 H12 N2 O3 S InChI=1S/C10H12N2O3S/c11-
    7-4-2-1-3-6(7)10(15)16-5-
    8(12)9(13)14/h1-4,8H,5,11
    -12H2,(H,13,14)/t8-/m0/s1;
    BYVARANRNFXKPH-QMMMGPOBSA-N    		 O=C(O)C(N)CSC(=O)c1ccccc1N; N[CH](CSC(=O
    )c1ccccc1N)C(O)=O; c1ccc(c(c1)C(=O)SCC(C
    (=O)O)N)N; N[C@@H](CSC(=O)c1ccccc1N)C(O)
    =O; c1ccc(c(c1)C(=O)SC[C@@H](C(=O)O)N)N    		 S-[(2-aminophenyl)carbonyl]-L-cysteine
    17399 CSK 0 C4 H9 N O2 S Se InChI=1S/C4H9NO2SSe/c1-9-
    8-2-3(5)4(6)7/h3H,2,5H2,1
    H3,(H,6,7)/t3-/m0/s1;
    ZDHAKDUTQCFEKA-VKHMYHEASA-N    		 C[Se]SC[C@H](N)C(O)=O; C[Se]SCC(C(=O)O)N
    ; O=C(O)C(N)CS[Se]C; C[Se]SC[CH](N)C(O)=
    O; C[Se]SC[C@@H](C(=O)O)N    		 S-(methylselanyl)-L-cysteine
    17400 CSL 0 C10 H16 N3 O7 P Se InChI=1S/C10H16N3O7PSe/c1
    -22-8-7(14)5(4-19-21(16,1
    7)18)20-9(8)13-3-2-6(11)1
    2-10(13)15/h2-3,5,7-9,14H
    ,4H2,1H3,(H2,11,12,15)(H2
    ,16,17,18)/t5-,7-,8-,9-/m
    1/s1;
    INVVCVIDTHAWAJ-ZOQUXTDFSA-N    		 C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=
    NC2=O)N)COP(=O)(O)O)O; C[Se]C1C(C(OC1N2C
    =CC(=NC2=O)N)COP(=O)(O)O)O; C[Se][C@@H]1
    [C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=
    CC(=NC2=O)N; O=C1N=C(N)C=CN1C2OC(C(O)C2[
    Se]C)COP(=O)(O)O; C[Se][CH]1[CH](O)[CH](
    CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N    		 (D)-2'-METHYLSELENYL-2'-DEOXYCYTIDINE-5'-PHOSPHATE;
    (D)-2'-DEOXY-2'-SE-METHYLCYTIDINE-5'-PHOSPHATE
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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