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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
    28401 MDE
    DB03698
    ZINC000195849543    		 1 C33 H55 N7 O18 P3 S2 InChI=1S/C33H54N7O18P3S2/
    c1-4-5-6-8-21(62-16-14-41
    )9-7-10-24(43)63-15-13-35
    -23(42)11-12-36-31(46)28(
    45)33(2,3)18-55-61(52,53)
    58-60(50,51)54-17-22-27(5
    7-59(47,48)49)26(44)32(56
    -22)40-20-39-25-29(34)37-
    19-38-30(25)40/h7,10,14,1
    9-22,26-27,31-32,36,44,46
    H,4-6,8-9,11-13,15-18H2,1
    -3H3,(H7,34,35,37,38,42,4
    7,48,49,50,51,52,53)/p+1/
    b10-7+/t21-,22+,26+,27+,3
    1+,32+/m0/s1;
    IJSMUHMCIYOVMM-UAQBTBCQSA-O    		 CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCNC(C(=
    O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@
    H]1[C@H]([C@H]([C@@H](O1)[n+]2c[nH]c3c2n
    cnc3N)O)OP(=O)(O)O)O)SCC=O; CCCCCC(CC=CC
    (=O)SCCNC(=O)CCNC(C(=O)C(C)(C)COP(=O)(O)
    OP(=O)(O)OCC1C(C(C(O1)[n+]2c[nH]c3c2ncnc
    3N)O)OP(=O)(O)O)O)SCC=O; CCCCC[CH](CC=CC
    (=O)SCCNC(=O)CCN[CH](O)C(=O)C(C)(C)CO[P]
    (O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[C
    H]1O[P](O)(O)=O)[n+]2c[nH]c3c(N)ncnc23)S
    CC=O; CCCCC[C@@H](C/C=C/C(=O)SCCNC(=O)CC
    N[C@H](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+]2c[nH]c3c(N)ncnc23)SCC=O;
    O=CCSC(CCCCC)C/C=C/C(=O)SCCNC(=O)CCNC(O
    )C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([
    n+]2cnc1c2ncnc1N)C(O)C3OP(=O)(O)O    		 5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A
    28402 MDF 0 C9 H11 N O4 InChI=1S/C9H11NO4/c1-14-9
    (13)8(10)5-2-6(11)4-7(12)
    3-5/h2-4,8,11-12H,10H2,1H
    3/t8-/m0/s1;
    RPSOEOPINVKYBT-QMMMGPOBSA-N    		 COC(=O)[C@H](c1cc(cc(c1)O)O)N; COC(=O)[C
    H](N)c1cc(O)cc(O)c1; COC(=O)[C@@H](N)c1c
    c(O)cc(O)c1; O=C(OC)C(c1cc(O)cc(O)c1)N;
    COC(=O)C(c1cc(cc(c1)O)O)N    		 META, META'-DI-HYDROXY-PHENYLALANINE
    28403 MDG 0 C11 H19 N5 O11 P2 InChI=1/C11H19N5O11P2/c1-
    15-3-16(8-5(15)9(19)14-11
    (12)13-8)10-7(18)6(17)4(2
    6-10)2-25-29(23,24)27-28(
    20,21)22/h4,6-7,10,17-18H
    ,2-3H2,1H3,(H,23,24)(H2,2
    0,21,22)(H3,12,13,14,19)/
    t4-,6-,7-,10-/m1/s1/f/h14
    ,20-21,23H,12H2;
    QQODJOAVWUWVHJ-HPOUFISBDW    		 CN1CN([C@@H]2O[C@H](CO[P@@](O)(=O)O[P](O
    )(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3
    )N; CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H
    ]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)
    O)O)O; CN1CN([CH]2O[CH](CO[P](O)(=O)O[P]
    (O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)
    N; CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)C
    OP(=O)(O)OP(=O)(O)O)O)O; O=P(O)(O)OP(=O)
    (O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O
    )C3O    		 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
    28404 MDH
    DB04225
    ZINC000100034046    		 0 C5 H9 N O2 InChI=1S/C5H9NO2/c1-3-4(6
    -2)5(7)8/h3,6H,1-2H3,(H,7
    ,8)/b4-3-;
    XLSUHJCPPCGPHF-ARJAWSKDSA-N    		 CN\C(=C/C)C(O)=O; CC=C(C(=O)O)NC; C\C=C(
    \C(=O)O)/NC; O=C(O)C(=C/C)/NC; CNC(=CC)C
    (O)=O    		 N-METHYLDEHYDROBUTYRINE
    28405 MDI
    CHEMBL5272595    		 3 C27 H26 F2 N4 O InChI=1S/C27H26F2N4O/c1-1
    5-9-11-19(17-10-12-18-16(
    2)31-32-22(18)14-17)20-6-
    4-8-23(24(15)20)33(3)27(3
    4)25-21(26(28)29)7-5-13-3
    0-25/h5,7,9-14,23,26H,4,6
    ,8H2,1-3H3,(H,31,32)/t23-
    /m1/s1;
    ZGVMLURVURNUQI-HSZRJFAPSA-N    		 Cc1ccc(c2c1C(CCC2)N(C)C(=O)c3c(cccn3)C(F
    )F)c4ccc5c(n[nH]c5c4)C; Cc1ccc(c2c1[C@@H
    ](CCC2)N(C)C(=O)c3c(cccn3)C(F)F)c4ccc5c(
    n[nH]c5c4)C; CN([CH]1CCCc2c(ccc(C)c12)c3
    ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F; CN
    ([C@@H]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH]
    c4c3)C(=O)c5ncccc5C(F)F    		 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide
    28406 MDJ
    ZINC000058638588    		 0 C11 H17 N2 O8 P InChI=1S/C11H17N2O8P/c12-
    7-1-2-13(11(16)6(7)4-14)1
    0-3-8(15)9(21-10)5-20-22(
    17,18)19/h1-2,8-10,14-15H
    ,3-5,12H2,(H2,17,18,19)/t
    8-,9+,10+/m0/s1;
    FIHVBWHWCWOFPJ-IVZWLZJFSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C=CC(=C(C2=O)CO)
    N)COP(=O)(O)O)O; NC1=C(CO)C(=O)N(C=C1)[C
    H]2C[CH](O)[CH](CO[P](O)(O)=O)O2; NC1=C(
    CO)C(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[
    P](O)(O)=O)O2; C1C(C(OC1N2C=CC(=C(C2=O)C
    O)N)COP(=O)(O)O)O; O=P(O)(O)OCC2OC(N1C(=
    O)C(=C(N)C=C1)CO)CC2O    		 4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1H)-one
    28407 MDK
    ZINC000058650097    		 0 C11 H17 N2 O7 P InChI=1S/C11H17N2O7P/c1-6
    -7(12)2-3-13(11(6)15)10-4
    -8(14)9(20-10)5-19-21(16,
    17)18/h2-3,8-10,14H,4-5,1
    2H2,1H3,(H2,16,17,18)/t8-
    ,9+,10+/m0/s1;
    OHKFCCHWVFFUOJ-IVZWLZJFSA-N    		 CC1=C(C=CN(C1=O)C2CC(C(O2)COP(=O)(O)O)O)
    N; O=P(O)(O)OCC2OC(N1C(=O)C(=C(N)C=C1)C)
    CC2O; CC1=C(N)C=CN([C@H]2C[C@H](O)[C@@H]
    (CO[P](O)(O)=O)O2)C1=O; CC1=C(C=CN(C1=O)
    [C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N;
    CC1=C(N)C=CN([CH]2C[CH](O)[CH](CO[P](O)(
    O)=O)O2)C1=O    		 4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-methylpyridin-2(1H)-one
    28408 MDL
    ZINC000003831793    		 1 C28 H29 F5 N4 O3 InChI=1S/C28H29F5N4O3/c1-
    34-22(14-17-8-3-2-4-9-17)
    26(40)37-13-7-12-23(37)25
    (39)36-21(24(38)27(29,30)
    28(31,32)33)15-18-16-35-2
    0-11-6-5-10-19(18)20/h2-6
    ,8-11,16,21-23,34-35H,7,1
    2-15H2,1H3,(H,36,39)/t21-
    ,22+,23-/m0/s1;
    WFJABZVISMTOSO-ZRBLBEILSA-N    		 CNC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NC(Cc3c[n
    H]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F; CN[C@H
    ](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]
    (Cc3c[nH]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F;
    O=C(NC(C(=O)C(F)(F)C(F)(F)F)Cc2c1ccccc1
    nc2)C4N(C(=O)C(NC)Cc3ccccc3)CCC4; CN[C@H
    ](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]
    (Cc3c[nH]c4ccccc34)C(=O)C(F)(F)C(F)(F)F;
    CN[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)N[
    CH](Cc3c[nH]c4ccccc34)C(=O)C(F)(F)C(F)(F
    )F    		 [DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINE
    28409 MDN
    CHEMBL180570
    DB14078
    ZINC000008015016    		 18 C H6 O6 P2 InChI=1S/CH6O6P2/c2-8(3,4
    )1-9(5,6)7/h1H2,(H2,2,3,4
    )(H2,5,6,7);
    MBKDYNNUVRNNRF-UHFFFAOYSA-N    		 C(P(=O)(O)O)P(=O)(O)O; O[P](O)(=O)C[P](O
    )(O)=O; O=P(O)(O)CP(=O)(O)O    		 METHYLENEDIPHOSPHONIC ACID
    28410 MDO
    ZINC000058638544    		 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-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    4-METHYLIDENE-5-ONE;
    PEPTIDE DERIVED CHROMOPHORE
    28411 MDP
    ZINC000058650806    		 0 C11 H19 N O9 InChI=1S/C11H19NO9/c1-4(9
    (15)16)20-8-6(12(2)11(18)
    19)10(17)21-5(3-13)7(8)14
    /h4-8,10,13-14,17H,3H2,1-
    2H3,(H,15,16)(H,18,19)/t4
    -,5-,6-,7-,8-,10-/m1/s1;
    PVOFHMJNZUCTDT-MXGCPANSSA-N    		 O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C;
    C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@
    @H]([C@H]1O)CO)O)N(C)C(=O)O; C[C@@H](O[C
    @H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1N(
    C)C(O)=O)C(O)=O; CC(C(=O)O)OC1C(C(OC(C1O
    )CO)O)N(C)C(=O)O; C[CH](O[CH]1[CH](O)[CH
    ](CO)O[CH](O)[CH]1N(C)C(O)=O)C(O)=O    		 N-carboxyl-N-methyl-beta-muramic acid;
    N-CARBOXY-N-METHYL-MURAMIC ACID
    28412 MDQ 0 C10 H16 N3 O8 P InChI=1S/C10H15N3O8P/c11-
    8-1-2-12(10(16)13(8)5-14)
    9-3-6(15)7(21-9)4-20-22(1
    7,18)19/h1-2,6-7,9,11,15H
    ,3-5H2,(H2,17,18,19)/q-1/
    p+1/t6-,7+,9+/m0/s1;
    BDBXEKDYKCTPAE-LKEWCRSYSA-O    		 NC1=[N+](C[O-])C(=O)N(C=C1)[C@H]2C[C@H](
    O)[C@@H](CO[P](O)(O)=O)O2; C1[C@@H]([C@H
    ](O[C@H]1N2C=CC(=[N+](C2=O)C[O-])N)COP(=
    O)(O)O)O; NC1=[N+](C[O-])C(=O)N(C=C1)[CH
    ]2C[CH](O)[CH](CO[P](O)(O)=O)O2; C1C(C(O
    C1N2C=CC(=[N+](C2=O)C[O-])N)COP(=O)(O)O)
    O; O=P(O)(O)OCC2OC(N1C(=O)[N+](=C(N)C=C1
    )C[O-])CC2O    		 2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate)
    28413 MDR
    CHEMBL1234254
    DB03735
    ZINC000006069212    		 6 C11 H14 N4 O3 InChI=1S/C11H14N4O3/c1-6-
    10-11(13-4-12-6)15(5-14-1
    0)9-2-7(17)8(3-16)18-9/h4
    -5,7-9,16-17H,2-3H2,1H3/t
    7-,8+,9+/m0/s1;
    SJXRKKYXNZWKDB-DJLDLDEBSA-N    		 Cc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3;
    n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)C; Cc1c2
    c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O
    ; Cc1c2c(ncn1)n(cn2)C3CC(C(O3)CO)O; Cc1n
    cnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3    		 9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-METHYLPURINE
    28414 MDS 1 C15 H24 N8 O6 S2 InChI=1S/C15H24N8O6S2/c1-
    30-3-2-7(16)14(26)22-31(2
    7,28)21-4-8-10(24)11(25)1
    5(29-8)23-6-20-9-12(17)18
    -5-19-13(9)23/h5-8,10-11,
    15,21,24-25H,2-4,16H2,1H3
    ,(H,22,26)(H2,17,18,19)/t
    7-,8?,10?,11?,15?/m0/s1;
    DAUQVCLMADDCHF-QWRDWHBNSA-N    		 CSCC[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@@H
    ]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)O)N;
    CSCC[C@H](N)C(=O)N[S](=O)(=O)NCC1OC(C(O)
    C1O)n2cnc3c(N)ncnc23; O=C(NS(=O)(=O)NCC3
    OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CCSC; CS
    CC[CH](N)C(=O)N[S](=O)(=O)NCC1OC(C(O)C1O
    )n2cnc3c(N)ncnc23; CSCCC(C(=O)NS(=O)(=O)
    NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N    		 N-[METHIONYL]-N'-[ADENOSYL]-DIAMINOSULFONE
    28415 MDU
    ZINC000058649405    		 0 C11 H17 N2 O9 P InChI=1S/C11H17N2O9P/c1-6
    -3-12(11(17)13(5-14)10(6)
    16)9-2-7(15)8(22-9)4-21-2
    3(18,19)20/h3,7-9,14-15H,
    2,4-5H2,1H3,(H2,18,19,20)
    /t7-,8+,9+/m0/s1;
    UGQLUWYICJLJKZ-DJLDLDEBSA-N    		 CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)
    =O)O2)C(=O)N(CO)C1=O; CC1=CN(C(=O)N(C1=O
    )CO)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
    ; O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C(=C1)C)
    CO)CC2O; CC1=CN(C(=O)N(C1=O)CO)C2CC(C(O2
    )COP(=O)(O)O)O; CC1=CN([CH]2C[CH](O)[CH]
    (CO[P](O)(O)=O)O2)C(=O)N(CO)C1=O    		 3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate)
    28416 MDV
    ZINC000058639176    		 0 C12 H16 N5 O8 P InChI=1S/C12H16N5O8P/c18-
    5-1-7(25-6(5)2-24-26(21,2
    2)23)16-3-13-8-9(16)14-4-
    17-10(8)15-11(19)12(17)20
    /h3-7,11-12,18-20H,1-2H2,
    (H2,21,22,23)/t5-,6+,7+,1
    1-,12-/m0/s1;
    MMGFTCXHWADSBK-BJMSXLCZSA-N    		 c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CN4C2
    =NC(C4O)O; c1nc2c(n1[C@H]3C[C@@H]([C@H](
    O3)COP(=O)(O)O)O)N=CN4C2=N[C@H]([C@@H]4O
    )O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O
    )n2cnc3c2N=CN4[C@@H](O)[C@H](O)N=C34; O=
    P(O)(O)OCC4OC(n3cnc2c3N=CN1C2=NC(O)C1O)C
    C4O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2c
    nc3c2N=CN4[CH](O)[CH](O)N=C34    		 (7S,8S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydro-3H-imidazo[2,1-i]purine-7,8-diol
    28417 MDW
    DB08170
    ZINC000013588276    		 1 C18 H20 N2 O7 S InChI=1S/C18H20N2O7S/c1-2
    6-12-3-5-13(6-4-12)28(24,
    25)20-8-7-11-9-15(21)16(2
    7-2)10-14(11)17(20)18(22)
    19-23/h3-6,9-10,17,21,23H
    ,7-8H2,1-2H3,(H,19,22)/t1
    7-/m1/s1;
    AYFCYVLVRYQGME-QGZVFWFLSA-N    		 COc1ccc(cc1)S(=O)(=O)N2CCc3cc(c(cc3C2C(=
    O)NO)OC)O; O=S(=O)(c1ccc(OC)cc1)N3C(c2c(
    cc(O)c(OC)c2)CC3)C(=O)NO; COc1ccc(cc1)[S
    ](=O)(=O)N2CCc3cc(O)c(OC)cc3[C@@H]2C(=O)
    NO; COc1ccc(cc1)S(=O)(=O)[N@]2CCc3cc(c(c
    c3[C@@H]2C(=O)NO)OC)O; COc1ccc(cc1)[S](=
    O)(=O)N2CCc3cc(O)c(OC)cc3[CH]2C(=O)NO    		 (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE;
    6-HYDROXY-7-METHOXY-2-(4-METHOXY-BENZENESULFONYL)-1,2,3,4,-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID HYDROXYAMIDE
    28418 MDX
    DB08171
    ZINC000002164257    		 2 C11 H22 O2 S InChI=1S/C11H22O2S/c12-11
    (13)9-7-5-3-1-2-4-6-8-10-
    14/h14H,1-10H2,(H,12,13);
    GWOLZNVIRIHJHB-UHFFFAOYSA-N    		 OC(=O)CCCCCCCCCCS; O=C(O)CCCCCCCCCCS; C(
    CCCCCS)CCCCC(=O)O    		 11-MERCAPTOUNDECANOIC ACID
    28419 MDY
    CHEMBL483161
    DB08172
    ZINC000100036440    		 1 C18 H15 Cl N2 O3 InChI=1S/C18H15ClN2O3/c1-
    11(22)14(10-20)18(23)21-1
    6-8-7-12(9-15(16)19)13-5-
    3-4-6-17(13)24-2/h3-9,22H
    ,1-2H3,(H,21,23)/b14-11-;
    YUDQXOMZBLEWBH-KAMYIIQDSA-N    		 COc1ccccc1c2ccc(NC(=O)\C(C#N)=C(\C)O)c(C
    l)c2; Clc1cc(ccc1NC(=O)C(/C#N)=C(\O)C)c2
    ccccc2OC; CC(=C(C#N)C(=O)Nc1ccc(cc1Cl)c2
    ccccc2OC)O; C/C(=C(\C#N)/C(=O)Nc1ccc(cc1
    Cl)c2ccccc2OC)/O; COc1ccccc1c2ccc(NC(=O)
    C(C#N)=C(C)O)c(Cl)c2    		 (2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide
    28420 MDZ
    ZINC000033836587    		 1 C15 H26 N2 O7 S InChI=1S/C15H26N2O7S/c1-7
    (2)12(14(21)22)24-15(23)1
    1(8(3)25)17-10(18)6-4-5-9
    (16)13(19)20/h7-9,11-12,2
    5H,4-6,16H2,1-3H3,(H,17,1
    8)(H,19,20)(H,21,22)/t8-,
    9+,11+,12-/m1/s1;
    SEWFXDOLNMAGTP-LLHIFLOGSA-N    		 CC(C)[C@@H](OC(=O)[C@@H](NC(=O)CCC[C@H](
    N)C(O)=O)[C@@H](C)S)C(O)=O; CC(C)C(C(=O)
    O)OC(=O)C(C(C)S)NC(=O)CCCC(C(=O)O)N; CC(
    C)[CH](OC(=O)[CH](NC(=O)CCC[CH](N)C(O)=O
    )[CH](C)S)C(O)=O; O=C(OC(C(=O)O)C(C)C)C(
    NC(=O)CCCC(C(=O)O)N)C(S)C; CC(C)[C@H](C(
    =O)O)OC(=O)[C@H]([C@@H](C)S)NC(=O)CCC[C@
    @H](C(=O)O)N    		 N~6~-METHYL-6-OXO-L-LYSINE - 2-[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID
    28421 ME0
    ZINC000013353753    		 0 C5 H11 N O3 S InChI=1S/C5H11NO3S/c6-4(5
    (8)9)1-2-10-3-7/h4,7H,1-3
    ,6H2,(H,8,9)/t4-/m0/s1;
    WAYHNLGKMVZKIA-BYPYZUCNSA-N    		 C(CSCO)C(C(=O)O)N; C(CSCO)[C@@H](C(=O)O)
    N; N[C@@H](CCSCO)C(O)=O; N[CH](CCSCO)C(O
    )=O; O=C(O)C(N)CCSCO    		 hydroxy-L-methionine
    28422 ME1
    CHEMBL232566
    DB08173
    ZINC000003948690    		 1 C19 H16 Cl N3 O3 S InChI=1S/C19H16ClN3O3S/c2
    0-16-9-8-15(27-16)19(26)2
    2-11-10-21-18(25)13-4-6-1
    4(7-5-13)23-12-2-1-3-17(2
    3)24/h1-9,12H,10-11H2,(H,
    21,25)(H,22,26);
    UCKHUNHXYMAFQM-UHFFFAOYSA-N    		 Clc1sc(cc1)C(=O)NCCNC(=O)c2ccc(cc2)N3C=C
    C=CC3=O; c1cc(ccc1C(=O)NCCNC(=O)c2ccc(s2
    )Cl)N3C=CC=CC3=O; O=C(NCCNC(=O)c2ccc(N1C
    =CC=CC1=O)cc2)c3sc(Cl)cc3    		 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE
    28423 ME2
    DB03508
    ZINC000002040081    		 0 C7 H16 O3 InChI=1S/C7H16O3/c1-3-9-6
    -7-10-5-4-8-2/h3-7H2,1-2H
    3;
    CNJRPYFBORAQAU-UHFFFAOYSA-N    		 O(CCOCCOCC)C; CCOCCOCCOC 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE
    28424 ME3 1 C26 H18 N3 O6 Ru InChI=1S/C17H9N3O3.C8H9O2
    .CHO.Ru/c21-7-3-4-10-9(6-
    7)11-13-12(16(22)20-17(13
    )23)8-2-1-5-18-14(8)15(11
    )19-10;1-2-10-8(9)7-5-3-4
    -6-7;1-2;/h1-6H,(H3,18,19
    ,20,21,22,23);3-6H,2H2,1H
    3;1H;/q;;;+1/p-1;
    PFOCZSJQLYFAHF-UHFFFAOYSA-M    		 CCOC(=O)C12C3[Ru]1456(C3C4C52)(n7c8ccc(c
    c8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[C
    H]#O; CCOC(=O)C1CCCC1.Oc2ccc3n([Ru])c4c5
    ncccc5c6C(=O)NC(=O)c6c4c3c2.C#[O]    		 RUTHENIUM-PYRIDOCARBAZOLE-3
    28425 ME4
    CHEMBL398380
    ZINC000016052355    		 1 C27 H25 Cl N4 O3 InChI=1S/C27H25ClN4O3/c28
    -21-16-29-24-15-18(10-13-
    20(21)24)27(35)31-23-6-2-
    1-5-22(23)30-26(34)17-8-1
    1-19(12-9-17)32-14-4-3-7-
    25(32)33/h3-4,7-16,22-23,
    29H,1-2,5-6H2,(H,30,34)(H
    ,31,35)/t22-,23+/m0/s1;
    PMRPPULYFDNTHJ-XZOQPEGZSA-N    		 Clc1c[nH]c2cc(ccc12)C(=O)N[CH]3CCCC[CH]3
    NC(=O)c4ccc(cc4)N5C=CC=CC5=O; Clc1c[nH]c
    2cc(ccc12)C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)
    c4ccc(cc4)N5C=CC=CC5=O; c1cc(ccc1C(=O)N[
    C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4C
    l)N5C=CC=CC5=O; O=C1C=CC=CN1c2ccc(cc2)C(
    =O)NC5CCCCC5NC(=O)c3ccc4c(c3)ncc4Cl; c1c
    c(ccc1C(=O)NC2CCCCC2NC(=O)c3ccc4c(c3)[nH
    ]cc4Cl)N5C=CC=CC5=O    		 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE
    28426 ME5
    CHEMBL233992
    DB08174
    ZINC000016052356    		 1 C22 H20 Cl N3 O3 S InChI=1S/C22H20ClN3O3S/c2
    3-19-12-11-18(30-19)22(29
    )25-17-5-3-4-16(17)24-21(
    28)14-7-9-15(10-8-14)26-1
    3-2-1-6-20(26)27/h1-2,6-1
    3,16-17H,3-5H2,(H,24,28)(
    H,25,29)/t16-,17+/m0/s1;
    QCPYHSAHOYXXQK-DLBZAZTESA-N    		 c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3cc
    c(s3)Cl)N4C=CC=CC4=O; Clc1sc(cc1)C(=O)N[
    CH]2CCC[CH]2NC(=O)c3ccc(cc3)N4C=CC=CC4=O
    ; Clc1sc(cc1)C(=O)N[C@@H]2CCC[C@@H]2NC(=
    O)c3ccc(cc3)N4C=CC=CC4=O; c1cc(ccc1C(=O)
    NC2CCCC2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O;
    O=C(NC3CCCC3NC(=O)c2ccc(N1C=CC=CC1=O)cc2
    )c4sc(Cl)cc4    		 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE
    28427 ME6
    ZINC000103549611    		 1 C10 H17 N3 O7 P InChI=1S/C10H16N3O7P/c1-1
    2-8(11)2-3-13(10(12)15)9-
    4-6(14)7(20-9)5-19-21(16,
    17)18/h2-3,6-7,9,11,14H,4
    -5H2,1H3,(H2,16,17,18)/p+
    1/t6-,7+,9+/m0/s1;
    SXDBYGVVLMSJDZ-LKEWCRSYSA-O    		 C[N+]1=C(C=CN(C1=O)C2CC(C(O2)COP(=O)(O)O
    )O)N; C[N+]1=C(N)C=CN([C@H]2C[C@H](O)[C@
    @H](CO[P](O)(O)=O)O2)C1=O; C[N+]1=C(C=CN
    (C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O
    )O)N; C[N+]1=C(N)C=CN([CH]2C[CH](O)[CH](
    CO[P](O)(O)=O)O2)C1=O    		 [(2R,3S,5R)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
    28428 ME7
    ZINC000004203455    		 8 C10 H8 N2 O4 InChI=1S/C10H8N2O4/c13-7-
    1-2-8(14)11(7)5-6-12-9(15
    )3-4-10(12)16/h1-4H,5-6H2;
    PUKLCKVOVCZYKF-UHFFFAOYSA-N    		 O=C1N(C(=O)C=C1)CCN2C(=O)C=CC2=O; O=C1C=
    CC(=O)N1CCN2C(=O)C=CC2=O; C1=CC(=O)N(C1=
    O)CCN2C(=O)C=CC2=O    		 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)
    28429 ME8
    ZINC000013536715    		 5 C15 H23 N6 O8 P S InChI=1S/C15H23N6O8PS/c1-
    31-3-2-7(16)15(24)29-30(2
    5,26)27-4-8-10(22)11(23)1
    4(28-8)21-6-20-9-12(17)18
    -5-19-13(9)21/h5-8,10-11,
    14,22-23H,2-4,16H2,1H3,(H
    ,25,26)(H2,17,18,19)/t7-,
    8+,10+,11+,14+/m0/s1;
    RZQLXQQLNKBFRX-TWBCTODHSA-N    		 CSCC[C@H](N)C(=O)O[P](O)(=O)OC[C@H]1O[C@
    H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; CS
    CCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2n
    cnc3N)O)O)N; CSCC[C@@H](C(=O)O[P@@](=O)(
    O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c
    2ncnc3N)O)O)N; O=P(OC(=O)C(N)CCSC)(O)OCC
    3OC(n2cnc1c(ncnc12)N)C(O)C3O; CSCC[CH](N
    )C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH
    ]1O)n2cnc3c(N)ncnc23    		 [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate;
    L-methionine-AMP;
    methionyl-adenylate
    28430 ME9
    CHEMBL567436
    ZINC000001677060    		 4 C12 H12 N2 O4 InChI=1S/C12H12N2O4/c15-9
    -3-4-10(16)13(9)7-1-2-8-1
    4-11(17)5-6-12(14)18/h3-6
    H,1-2,7-8H2;
    WXXSHAKLDCERGU-UHFFFAOYSA-N    		 C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O; O=C1
    C=CC(=O)N1CCCCN2C(=O)C=CC2=O    		 1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)
    28431 MEA
    CHEMBL1234265
    ZINC000008466416    		 0 C10 H13 N O2 InChI=1S/C10H13NO2/c1-11-
    9(10(12)13)7-8-5-3-2-4-6-
    8/h2-6,9,11H,7H2,1H3,(H,1
    2,13)/t9-/m0/s1;
    SCIFESDRCALIIM-VIFPVBQESA-N    		 CN[C@@H](Cc1ccccc1)C(=O)O; CNC(Cc1ccccc1
    )C(=O)O; CN[CH](Cc1ccccc1)C(O)=O; CN[C@@
    H](Cc1ccccc1)C(O)=O; O=C(O)C(NC)Cc1ccccc
    1    		 N-METHYLPHENYLALANINE
    28432 MEB
    ZINC000059940055    		 15 C4 H8 InChI=1S/C4H8/c1-4(2)3/h1
    H2,2-3H3;
    VQTUBCCKSQIDNK-UHFFFAOYSA-N    		 CC(=C)C; CC(C)=C; C=C(\C)C 2-methylprop-1-ene
    28433 MEC
    DB03919
    ZINC000002560077    		 0 C4 H9 N O2 InChI=1S/C4H9NO2/c1-3-5-4
    (6)7-2/h3H2,1-2H3,(H,5,6);
    AEARPZNULDFPNQ-UHFFFAOYSA-N    		 O=C(OC)NCC; CCNC(=O)OC ETHYL-CARBAMIC ACID METHYL ESTER
    28434 MED
    CHEMBL1234268
    DB02893
    ZINC000001532766    		 13 C5 H11 N O2 S InChI=1S/C5H11NO2S/c1-9-3
    -2-4(6)5(7)8/h4H,2-3,6H2,
    1H3,(H,7,8)/t4-/m1/s1;
    FFEARJCKVFRZRR-SCSAIBSYSA-N    		 CSCC[CH](N)C(O)=O; CSCC[C@@H](N)C(O)=O;
    CSCC[C@H](C(=O)O)N; CSCCC(C(=O)O)N; O=C(
    O)C(N)CCSC    		 D-METHIONINE
    28435 MEE 6 C H4 S InChI=1S/CH4S/c1-2/h2H,1H
    3;
    LSDPWZHWYPCBBB-UHFFFAOYSA-N    		 CS; SC METHANETHIOL
    28436 MEF
    CHEMBL1234270
    DB12676
    ZINC000004228243    		 5 C20 H23 N7 O6 InChI=1S/C20H23N7O6/c21-2
    0-24-16-15(18(31)25-20)27
    -9-26(8-12(27)7-22-16)11-
    3-1-10(2-4-11)17(30)23-13
    (19(32)33)5-6-14(28)29/h1
    -4,12-13H,5-9H2,(H,23,30)
    (H,28,29)(H,32,33)(H4,21,
    22,24,25,31)/t12-,13+/m1/
    s1;
    QYNUQALWYRSVHF-OLZOCXBDSA-N    		 c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CN
    C4=C(N3C2)C(=O)NC(=N4)N; NC1=NC2=C(N3CN(
    C[C@H]3CN2)c4ccc(cc4)C(=O)N[C@@H](CCC(O)
    =O)C(O)=O)C(=O)N1; c1cc(ccc1C(=O)N[C@@H]
    (CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2
    )C(=O)NC(=N4)N; NC1=NC2=C(N3CN(C[CH]3CN2
    )c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)C(
    =O)N1; O=C(O)C(NC(=O)c1ccc(cc1)N4CC3N(C=
    2C(=O)NC(=NC=2NC3)N)C4)CCC(=O)O    		 N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid;
    5,10-methylene,5,6,7,8-tetrahydrofolate
    28437 MEG
    CHEMBL38885
    DB01898
    ZINC000001672628    		 0 C6 H11 N O4 InChI=1S/C6H11NO4/c1-3(2-
    4(8)9)5(7)6(10)11/h3,5H,2
    ,7H2,1H3,(H,8,9)(H,10,11)
    /t3-,5-/m0/s1;
    FHJNAFIJPFGZRI-UCORVYFPSA-N    		 C[CH](CC(O)=O)[CH](N)C(O)=O; CC(CC(=O)O)
    C(C(=O)O)N; C[C@@H](CC(=O)O)[C@@H](C(=O)
    O)N; O=C(O)C(N)C(CC(=O)O)C; C[C@@H](CC(O
    )=O)[C@H](N)C(O)=O    		 (2S,3S)-2-azanyl-3-methyl-pentanedioic acid;
    (3S)-3-methyl-L-glutamic acid
    28438 MEI
    DB08175
    ZINC000002244163    		 1 C16 H28 O3 InChI=1S/C16H28O3/c1-13(1
    0-7-11-16(3,4)19-5)8-6-9-
    14(2)12-15(17)18/h6,9,12-
    13H,7-8,10-11H2,1-5H3,(H,
    17,18)/b9-6+,14-12+/t13-/
    m1/s1;
    MNYBEULOKRVZKY-ATCPXPEISA-N    		 C[C@@H](CCCC(C)(C)OC)C\C=C\C(=C\C(=O)O)\
    C; CC(CCCC(C)(C)OC)CC=CC(=CC(=O)O)C; COC
    (C)(C)CCC[C@H](C)C\C=C\C(C)=C\C(O)=O; CO
    C(C)(C)CCC[CH](C)CC=CC(C)=CC(O)=O; O=C(O
    )\C=C(\C=C\CC(CCCC(OC)(C)C)C)C    		 (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID;
    METOPRENIC ACID
    28439 MEJ
    CHEMBL3092537
    ZINC000017322922    		 1 C19 H19 N3 O2 InChI=1S/C19H19N3O2/c1-13
    (14-7-3-2-4-8-14)20-18(23
    )12-11-17-21-16-10-6-5-9-
    15(16)19(24)22-17/h2-10,1
    3H,11-12H2,1H3,(H,20,23)(
    H,21,22,24)/t13-/m0/s1;
    QIHBWVVVRYYYRO-ZDUSSCGKSA-N    		 C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=
    O)N2; CC(c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(
    =O)N2; C[C@H](NC(=O)CCC1=Nc2ccccc2C(=O)N
    1)c3ccccc3; O=C(NC(c1ccccc1)C)CCC3=Nc2c(
    cccc2)C(=O)N3; C[CH](NC(=O)CCC1=Nc2ccccc
    2C(=O)N1)c3ccccc3    		 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
    28440 MEK
    CHEMBL464238
    ZINC000039148487    		 1 C18 H18 F3 I N2 O5 InChI=1S/C18H18F3IN2O5/c1
    9-13-8-11(22)1-2-14(13)23
    -17-12(18(27)24-29-6-4-26
    )7-10(9-28-5-3-25)15(20)1
    6(17)21/h1-2,7-8,23,25-26
    H,3-6,9H2,(H,24,27);
    PVBOBALIHWFPSS-UHFFFAOYSA-N    		 c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)COCCO)C(=O
    )NOCCO; OCCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I)
    cc2F)c(F)c1F; O=C(NOCCO)c1c(c(F)c(F)c(c1
    )COCCO)Nc2ccc(I)cc2F    		 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide
    28441 MEL
    CHEMBL266349
    DB13616
    ZINC000003809827    		 3 C22 H31 N5 O4 InChI=1S/C22H31N5O4/c23-2
    0(24)16-8-6-14(7-9-16)12-
    26-21(30)17-10-11-27(17)2
    2(31)19(25-13-18(28)29)15
    -4-2-1-3-5-15/h6-9,15,17,
    19,25H,1-5,10-13H2,(H3,23
    ,24)(H,26,30)(H,28,29)/t1
    7-,19+/m0/s1;
    DKWNMCUOEDMMIN-PKOBYXMFSA-N    		 NC(=N)c1ccc(CNC(=O)[CH]2CCN2C(=O)[CH](NC
    C(O)=O)C3CCCCC3)cc1; O=C(NCc1ccc(C(=[N@H
    ])N)cc1)C3N(C(=O)C(NCC(=O)O)C2CCCCC2)CC3
    ; c1cc(ccc1CNC(=O)C2CCN2C(=O)C(C3CCCCC3)
    NCC(=O)O)C(=N)N; c1cc(ccc1CNC(=O)[C@@H]2
    CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N
    ; NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@
    H](NCC(O)=O)C3CCCCC3)cc1    		 [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID;
    MELAGATRAN (ASTRA-ZENECA)
    28442 MEM
    CHEMBL127
    DB00760
    ZINC000003808779    		 1 C17 H25 N3 O5 S InChI=1S/C17H25N3O5S/c1-7
    -12-11(8(2)21)16(23)20(12
    )13(17(24)25)14(7)26-9-5-
    10(18-6-9)15(22)19(3)4/h7
    -12,18,21H,5-6H2,1-4H3,(H
    ,24,25)/t7-,8-,9+,10+,11-
    ,12-/m1/s1;
    DMJNNHOOLUXYBV-PQTSNVLCSA-N    		 CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)
    C(=O)O)C(C)O; C[CH](O)[CH]1[CH]2[CH](C)C
    (=C(N2C1=O)C(O)=O)S[CH]3CN[CH](C3)C(=O)N
    (C)C; O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(=
    O)C(C(O)C)C1C2C)C3; C[C@@H]1[C@@H]2[C@H]
    (C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)
    C)C(=O)O)[C@@H](C)O; C[C@@H](O)[C@@H]1[C
    @H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)S[C@@H]3
    CN[C@@H](C3)C(=O)N(C)C    		 (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;
    Meropenem (closed form)
    28443 MEN
    ZINC000001566730    		 2 C5 H10 N2 O3 InChI=1S/C5H10N2O3/c1-7-4
    (8)2-3(6)5(9)10/h3H,2,6H2
    ,1H3,(H,7,8)(H,9,10)/t3-/
    m0/s1;
    CFRMVEKWKKDNAH-VKHMYHEASA-N    		 CNC(=O)C[C@H](N)C(O)=O; CNC(=O)C[C@@H](C
    (=O)O)N; CNC(=O)CC(C(=O)O)N; O=C(NC)CC(N
    )C(=O)O; CNC(=O)C[CH](N)C(O)=O    		 N-METHYL ASPARAGINE
    28444 MEO 0 O2 ;
    		 O.O OXYGENS BOUND TO MET SD
    28445 MEP 0 C12 H19 N2 O8 P InChI=1/C12H19N2O8P/c1-6-
    4-14(12(16)13-10(6)15)11-
    9(20-3)7(2)8(22-11)5-21-2
    3(17,18)19/h4,7-9,11H,5H2
    ,1-3H3,(H,13,15,16)(H2,17
    ,18,19)/t7-,8-,9-,11-/m1/
    s1/f/h13,17-18H;
    MCXXETKRWYMFCI-VGJOWVILDN    		 C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=
    O)NC2=O)C)COP(=O)(O)O; O=C1NC(=O)N(C=C1C
    )C2OC(C(C2OC)C)COP(=O)(O)O; CC1C(OC(C1OC
    )N2C=C(C(=O)NC2=O)C)COP(=O)(O)O; CO[CH]1
    [CH](C)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)
    C(=O)NC2=O; CO[C@@H]1[C@H](C)[C@@H](CO[P
    ](O)(O)=O)O[C@H]1N2C=C(C)C(=O)NC2=O    		 PHOSPHORIC ACID MONO-[4-METHOXY-3-METHYL-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
    28446 MEQ
    DB03473
    ZINC000001529600    		 3 C6 H12 N2 O3 InChI=1S/C6H12N2O3/c1-8-5
    (9)3-2-4(7)6(10)11/h4H,2-
    3,7H2,1H3,(H,8,9)(H,10,11
    )/t4-/m0/s1;
    ONXPDKGXOOORHB-BYPYZUCNSA-N    		 CNC(=O)CC[C@@H](C(=O)O)N; O=C(O)C(N)CCC(
    =O)NC; CNC(=O)CC[CH](N)C(O)=O; CNC(=O)CC
    C(C(=O)O)N; CNC(=O)CC[C@H](N)C(O)=O    		 N5-METHYLGLUTAMINE
    28447 MER
    ZINC000103547705    		 42 C17 H27 N3 O5 S InChI=1S/C17H27N3O5S/c1-8
    -13(11(7-21)9(2)22)19-14(
    17(24)25)15(8)26-10-5-12(
    18-6-10)16(23)20(3)4/h7-1
    3,18-19,22H,5-6H2,1-4H3,(
    H,24,25)/t8-,9-,10+,11-,1
    2+,13-/m1/s1;
    DYQHXZPAIVAJRU-HTXLXMOSSA-N    		 CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C
    (C=O)C(C)O; C[CH](O)[CH](C=O)[CH]1NC(=C(
    S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O
    ; C[C@@H](O)[C@@H](C=O)[C@@H]1NC(=C(S[C@
    @H]2CN[C@@H](C2)C(=O)N(C)C)[C@@H]1C)C(O)
    =O; O=C(O)C2=C(SC1CC(C(=O)N(C)C)NC1)C(C(
    N2)C(C=O)C(O)C)C; C[C@@H]1[C@@H](NC(=C1S
    [C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H]
    (C=O)[C@@H](C)O    		 (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid;
    Meropenem, bound form
    28448 MES
    CHEMBL1234276
    DB03814
    ZINC000001583444    		 0 C6 H13 N O4 S InChI=1S/C6H13NO4S/c8-12(
    9,10)6-3-7-1-4-11-5-2-7/h
    1-6H2,(H,8,9,10);
    SXGZJKUKBWWHRA-UHFFFAOYSA-N    		 [O-][S](=O)(=O)CC[NH+]1CCOCC1; C1COCC[NH
    +]1CCS(=O)(=O)[O-]; [O-]S(=O)(=O)CC[NH+]
    1CCOCC1    		 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
    28449 MET
    CHEMBL42336
    DB00134
    ZINC000001532529    		 327 C5 H11 N O2 S InChI=1S/C5H11NO2S/c1-9-3
    -2-4(6)5(7)8/h4H,2-3,6H2,
    1H3,(H,7,8)/t4-/m0/s1;
    FFEARJCKVFRZRR-BYPYZUCNSA-N    		 CSCC[CH](N)C(O)=O; CSCCC(C(=O)O)N; CSCC[
    C@H](N)C(O)=O; CSCC[C@@H](C(=O)O)N; O=C(
    O)C(N)CCSC    		 METHIONINE
    28450 MEU
    CHEMBL1193103
    ZINC000034781692    		 2 C3 H7 N O2 InChI=1S/C3H7NO2/c1-6-3(5
    )2-4/h2,4H2,1H3;
    KQSSATDQUYCRGS-UHFFFAOYSA-N    		 COC(=O)CN; O=C(OC)CN O-METHYL-GLYCINE
    28451 MEV 16 C6 H11 O4 InChI=1S/C6H12O4/c1-6(10,
    2-3-7)4-5(8)9/h7,10H,2-4H
    2,1H3,(H,8,9)/p-1/t6-/m1/
    s1;
    KJTLQQUUPVSXIM-ZCFIWIBFSA-M    		 CC(CCO)(CC(=O)[O-])O; C[C@@](O)(CCO)CC([
    O-])=O; O=C([O-])CC(O)(C)CCO; C[C@@](CCO
    )(CC(=O)[O-])O; C[C](O)(CCO)CC([O-])=O    		 (R)-MEVALONATE
    28452 MEW
    CHEMBL395092
    ZINC000008793749    		 7 C9 H8 N2 O InChI=1S/C9H8N2O/c1-6-10-
    8-5-3-2-4-7(8)9(12)11-6/h
    2-5H,1H3,(H,10,11,12);
    FIEYHAAMDAPVCH-UHFFFAOYSA-N    		 CC1=Nc2ccccc2C(=O)N1; O=C1c2ccccc2N=C(N1
    )C    		 2-methylquinazolin-4(3H)-one
    28453 MEX
    CHEMBL1802335
    ZINC000072107392    		 1 C13 H10 N2 O3 InChI=1S/C13H10N2O3/c16-8
    -5-6-11(12(17)7-8)15-10-4
    -2-1-3-9(10)14-13(15)18/h
    1-7,16-17H,(H,14,18);
    VCZFDVVMKKLXAN-UHFFFAOYSA-N    		 c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O; Oc1ccc(
    N2C(=O)Nc3ccccc23)c(O)c1; O=C2Nc1ccccc1N
    2c3ccc(O)cc3O    		 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one
    28454 MEY
    CHEMBL1801578
    ZINC000072108066    		 1 C24 H18 Cl N3 O5 S InChI=1S/C24H18ClN3O5S/c2
    5-17-11-20(22(30)12-21(17
    )29)28-19-9-8-14(10-18(19
    )27-24(28)31)13-26-34(32,
    33)23-7-3-5-15-4-1-2-6-16
    (15)23/h1-12,26,29-30H,13
    H2,(H,27,31);
    VUQDPFXQYOUHGL-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC
    (=O)N4c5cc(c(cc5O)O)Cl; O=S(=O)(c2c1cccc
    c1ccc2)NCc3cc4c(cc3)N(C(=O)N4)c5cc(Cl)c(
    O)cc5O; Oc1cc(O)c(cc1Cl)N2C(=O)Nc3cc(CN[
    S](=O)(=O)c4cccc5ccccc45)ccc23    		 N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
    28455 MEZ
    ZINC000004501410    		 9 C5 H6 O4 InChI=1S/C5H6O4/c1-3(5(8)
    9)2-4(6)7/h2H,1H3,(H,6,7)
    (H,8,9)/b3-2+;
    HNEGQIOMVPPMNR-NSCUHMNNSA-N    		 CC(=CC(=O)O)C(=O)O; O=C(O)\C=C(\C(=O)O)C
    ; CC(=C\C(O)=O)/C(O)=O; CC(=CC(O)=O)C(O)
    =O; C/C(=C\C(=O)O)/C(=O)O    		 (2E)-2-METHYLBUT-2-ENEDIOIC ACID;
    MESACONIC ACID;
    MESACONATE
    28456 MF0 1 C14 H14 Cl N3 O InChI=1S/C14H14ClN3O/c1-9
    -3-4-16-8-13(9)18-14(19)1
    0(2)11-5-12(15)7-17-6-11/
    h3-8,10H,1-2H3,(H,18,19)/
    t10-/m1/s1;
    SEFKQYGCOOMXHK-SNVBAGLBSA-N    		 Cc1ccncc1NC(=O)[C@H](C)c2cc(cnc2)Cl; Cc1
    ccncc1NC(=O)C(C)c2cc(cnc2)Cl; C[C@@H](C(
    =O)Nc1cnccc1C)c2cncc(Cl)c2; C[CH](C(=O)N
    c1cnccc1C)c2cncc(Cl)c2; O=C(Nc1cnccc1C)C
    (C)c1cc(Cl)cnc1    		 (2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide
    28457 MF1 1 C29 H47 O4 P InChI=1S/C29H47O4P/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-19-25-33-29(34(3
    0,31)32)28-24-20-22-26-21
    -17-18-23-27(26)28/h17-18
    ,20-24,29H,2-16,19,25H2,1
    H3,(H2,30,31,32)/t29-/m0/
    s1;
    IIAOXWLLPSQBBO-LJAQVGFWSA-N    		 CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2)
    P(=O)(O)O; CCCCCCCCCCCCCCCCCCOC(P(O)(O)=
    O)c1cccc2c1cccc2; CCCCCCCCCCCCCCCCCCOC(c
    1cccc2c1cccc2)P(=O)(O)O; CCCCCCCCCCCCCCC
    CCCO[C@H](c1cccc2ccccc12)[P](O)(O)=O; CC
    CCCCCCCCCCCCCCCCO[CH](c1cccc2ccccc12)[P]
    (O)(O)=O    		 [(S)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid
    28458 MF2
    DB04021
    ZINC000012504100    		 1 C15 H30 N2 O2 InChI=1S/C15H30N2O2/c1-14
    -11-17(12-15(2)19-14)10-8
    -6-4-3-5-7-9-16-13-18/h13
    -15H,3-12H2,1-2H3,(H,16,1
    8)/t14-,15+;
    UXVBAZRPAJEAHR-GASCZTMLSA-N    		 O=CNCCCCCCCCN1CC(OC(C)C1)C; CC1CN(CC(O1)
    C)CCCCCCCCNC=O; C[C@@H]1CN(CCCCCCCCNC=O)
    C[C@H](C)O1; C[C@@H]1CN(C[C@@H](O1)C)CCC
    CCCCCNC=O; C[CH]1CN(CCCCCCCCNC=O)C[CH](C
    )O1    		 CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE;
    MF268
    28459 MF3
    DB03799
    ZINC000001698833    		 2 C5 H8 F3 N O2 S InChI=1S/C5H8F3NO2S/c6-5(
    7,8)12-2-1-3(9)4(10)11/h3
    H,1-2,9H2,(H,10,11)/t3-/m
    0/s1;
    YLJLTSVBCXYTQK-VKHMYHEASA-N    		 C(CSC(F)(F)F)[C@@H](C(=O)O)N; C(CSC(F)(F
    )F)C(C(=O)O)N; FC(F)(F)SCCC(N)C(=O)O; N[
    CH](CCSC(F)(F)F)C(O)=O; N[C@@H](CCSC(F)(
    F)F)C(O)=O    		 2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID;
    TRIFLUOROMETHIONINE
    28460 MF4 43 F4 Mg InChI=1S/4FH.Mg/h4*1H;/q;
    ;;;+2/p-4;
    XVYWAXYEHHUKQW-UHFFFAOYSA-J    		 F[Mg--](F)(F)F; F[Mg-2](F)(F)F TETRAFLUOROMAGNESATE(2-);
    MAGNESIUMTETRAFLUORIDE
    28461 MF5
    ZINC000095920605    		 1 C14 H10 F5 N2 O InChI=1S/C14H10F5N2O/c1-2
    1-5-3-2-4-8(21)6-20-22-7-
    9-10(15)12(17)14(19)13(18
    )11(9)16/h2-6H,7H2,1H3/q+
    1/b20-6+;
    HYLZTSPDSFFOSU-CGOBSMCZSA-N    		 C[n+]1ccccc1C=NOCc2c(c(c(c(c2F)F)F)F)F;
    C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F
    ; C[n+]1ccccc1C=NOCc2c(F)c(F)c(F)c(F)c2F
    ; Fc1c(F)c(F)c(F)c(F)c1CO\N=C\c2[n+](ccc
    c2)C; C[n+]1ccccc1/C=N/OCc2c(F)c(F)c(F)c
    (F)c2F    		 1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine;
    methyl2-(pentafluorobenzyloxyimino)pyridinium
    28462 MF6 13 C15 H21 N5 O13 P2 InChI=1S/C15H21N5O13P2/c1
    6-12-7-13(18-3-17-12)20(4
    -19-7)14-11-9(22)6(30-14)
    2-29-35(26,27)33-34(24,25
    )28-1-5-8(21)10(23)15(31-
    5)32-11/h3-6,8-11,14-15,2
    1-23H,1-2H2,(H,24,25)(H,2
    6,27)(H2,16,17,18)/t5-,6-
    ,8-,9-,10-,11-,14-,15+/m1
    /s1;
    FWMYLCHFFTZWAN-ZQSHOCFMSA-N    		 c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(OP(
    =O)(OCC5C(C(C(O5)O4)O)O)O)O)O)N; Nc1ncnc
    2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[P](O)(
    =O)OC[CH]5O[CH](O[CH]3[CH]4O)[CH](O)[CH]
    5O; Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)(
    O)OCC3OC(OC1C2O)C(O)C3O; c1nc(c2c(n1)n(c
    n2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O
    P(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)O4)
    O)O)O)O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@
    @H]4CO[P](O)(=O)O[P](O)(=O)OC[C@H]5O[C@@
    H](O[C@@H]3[C@@H]4O)[C@H](O)[C@@H]5O    		 (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione;
    1'-2' gcADPR
    28463 MF7
    ZINC000263621238    		 0 C11 H18 N5 O8 P InChI=1S/C11H18N5O8P/c1-1
    6(4-17)8-9(14-11(12)15-10
    (8)19)13-7-2-5(18)6(24-7)
    3-23-25(20,21)22/h4-7,18H
    ,2-3H2,1H3,(H2,20,21,22)(
    H4,12,13,14,15,19)/t5-,6+
    ,7+/m0/s1;
    XUOKFUXZTMGJBY-RRKCRQDMSA-N    		 O=CN(c1c(nc(nc1O)N)NC2OC(C(O)C2)COP(=O)(
    O)O)C; CN(C=O)c1c(O)nc(N)nc1N[CH]2C[CH](
    O)[CH](CO[P](O)(O)=O)O2; CN(C=O)c1c(O)nc
    (N)nc1N[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)
    =O)O2; CN(C=O)c1c(nc(nc1O)N)NC2CC(C(O2)C
    OP(=O)(O)O)O; CN(C=O)c1c(nc(nc1O)N)N[C@H
    ]2C[C@@H]([C@H](O2)COP(=O)(O)O)O    		 N-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine
    28464 MF8
    CHEMBL1431
    DB00331
    ZINC000012859773    		 3 C4 H11 N5 InChI=1S/C4H11N5/c1-9(2)4
    (7)8-3(5)6/h1-2H3,(H5,5,6
    ,7,8);
    XZWYZXLIPXDOLR-UHFFFAOYSA-N    		 CN(C)C(=N)NC(=N)N; [H]/N=C(/N)\N/C(=N\[H
    ])/N(C)C; CN(C)C(=N)NC(N)=N    		 Metformin;
    N,N-Dimethylimidodicarbonimidic diamide
    28465 MF9
    ZINC000005211284    		 1 C10 H11 Cl O2 S InChI=1S/C10H11ClO2S/c1-7
    (6-10(12)13)14-9-4-2-8(11
    )3-5-9/h2-5,7H,6H2,1H3,(H
    ,12,13)/t7-/m0/s1;
    DSCJEDOCSCNYAI-ZETCQYMHSA-N    		 C[C@@H](CC(O)=O)Sc1ccc(Cl)cc1; C[CH](CC(
    O)=O)Sc1ccc(Cl)cc1; Clc1ccc(SC(C)CC(=O)O
    )cc1; CC(CC(=O)O)Sc1ccc(cc1)Cl; C[C@@H](
    CC(=O)O)Sc1ccc(cc1)Cl    		 (3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid
    28466 MFA 0 C7 H14 O5 InChI=1/C7H14O5/c1-3-4(8)
    5(9)6(10)7(11-2)12-3/h3-1
    0H,1-2H3/t3-,4+,5+,6-,7+/
    m0/s1;
    OHWCAVRRXKJCRB-CXNFULCWBA    		 CC1C(C(C(C(O1)OC)O)O)O; C[C@H]1[C@H]([C@
    H]([C@@H]([C@@H](O1)OC)O)O)O; OC1C(O)C(O
    )C(OC1OC)C; CO[CH]1O[CH](C)[CH](O)[CH](O
    )[CH]1O; CO[C@@H]1O[C@@H](C)[C@@H](O)[C@
    @H](O)[C@@H]1O    		 ALPHA-L-1-METHYL-FUCOSE
    28467 MFB
    CHEMBL1234283
    DB03194
    ZINC000004283898    		 17 C7 H14 O5 InChI=1S/C7H14O5/c1-3-4(8
    )5(9)6(10)7(11-2)12-3/h3-
    10H,1-2H3/t3-,4+,5+,6-,7-
    /m0/s1;
    OHWCAVRRXKJCRB-XUVCUMPTSA-N    		 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)
    O)O; CC1C(C(C(C(O1)OC)O)O)O; OC1C(O)C(O)
    C(OC1OC)C; CO[CH]1O[CH](C)[CH](O)[CH](O)
    [CH]1O; CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H
    ](O)[C@@H]1O    		 methyl beta-L-fucopyranoside;
    BETA-L-METHYL-FUCOSE;
    methyl 6-deoxy-beta-L-galactopyranoside;
    methyl beta-L-fucoside;
    methyl L-fucoside;
    methyl fucoside
    28468 MFC
    ZINC000058638366    		 0 C15 H16 F N3 O5 InChI=1S/C15H16FN3O5/c1-7
    (20)13(17)14-18-10(15(24)
    19(14)6-12(22)23)5-8-2-3-
    11(21)9(16)4-8/h2-5,7,13,
    20-21H,6,17H2,1H3,(H,22,2
    3)/b10-5-/t7-,13+/m1/s1;
    QLZXNQSTTQYOCH-QHUHAOFSSA-N    		 C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)F)O)/
    C(=O)N1CC(=O)O)N)O; C[CH](O)[CH](N)C1=NC
    (=Cc2ccc(O)c(F)c2)C(=O)N1CC(O)=O; C[C@@H
    ](O)[C@H](N)C1=N\C(=C/c2ccc(O)c(F)c2)C(=
    O)N1CC(O)=O; CC(C(C1=NC(=Cc2ccc(c(c2)F)O
    )C(=O)N1CC(=O)O)N)O; Fc1c(O)ccc(c1)\C=C2
    /N=C(N(C2=O)CC(=O)O)C(N)C(O)C    		 5-[1-(3-FLUORO-4-HYDROXY-PHENYL)-METH-(Z)-YLIDENE]-3,5-DIHYDRO-IMIDAZOL-4-ONE
    28469 MFD
    DB01850    		 0 C20 H29 N O3 InChI=1S/C20H29NO3/c1-14(
    10-11-18(21)16(3)20(22)23
    )12-15(2)19(24-4)13-17-8-
    6-5-7-9-17/h5-12,15-16,18
    -19H,13,21H2,1-4H3,(H,22,
    23)/b11-10+,14-12+/t15-,1
    6+,18+,19-/m1/s1;
    HJVCHYDYCYBBQX-AWKNMOFVSA-N    		 CO[C@H](Cc1ccccc1)[C@H](C)\C=C(C)\C=C\[C
    @H](N)[C@H](C)C(O)=O; O=C(O)C(C)C(N)/C=C
    /C(=C/C(C(OC)Cc1ccccc1)C)C; CO[CH](Cc1cc
    ccc1)[CH](C)C=C(C)C=C[CH](N)[CH](C)C(O)=
    O; CC(C=C(C)C=CC(C(C)C(=O)O)N)C(Cc1ccccc
    1)OC; C[C@H](\C=C(/C)\C=C\[C@@H]([C@H](C
    )C(=O)O)N)[C@@H](Cc1ccccc1)OC    		 (2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID
    28470 MFE
    CHEMBL117554
    ZINC000013476433    		 1 C15 H12 Cl N3 InChI=1S/C15H12ClN3/c16-1
    2-7-5-11(6-8-12)9-17-15-1
    3-3-1-2-4-14(13)18-10-19-
    15/h1-8,10H,9H2,(H,17,18,
    19);
    BTRLSAYDVSPYCS-UHFFFAOYSA-N    		 c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl; Clc1cc
    c(CNc2ncnc3ccccc23)cc1    		 ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine
    28471 MFF 1 C29 H48 N2 O5 InChI=1S/C29H48N2O5/c1-7-
    9-27-22(5)26(33)18-28(36-
    27)25(31)11-8-10-19(2)14-
    21(4)15-20(3)12-13-24(32)
    16-23(30)17-29(34)35-6/h7
    -13,15,21-28,32-33H,14,16
    -18,30-31H2,1-6H3/b9-7+,1
    1-8+,13-12+,19-10+,20-15-
    /t21-,22+,23+,24+,25+,26-
    ,27+,28+/m1/s1;
    PLLUXUKFSITXBR-MOCDELMQSA-N    		 COC(=O)C[C@@H](N)C[C@@H](O)\C=C\C(C)=C/[
    C@H](C)CC(/C)=C/C=C/[C@H](N)[C@@H]1C[C@@
    H](O)[C@H](C)[C@@H](O1)/C=C/C; CC=CC1C(C
    (CC(O1)C(C=CC=C(C)CC(C)C=C(C)C=CC(CC(CC(
    =O)OC)N)O)N)O)C; COC(=O)C[CH](N)C[CH](O)
    C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[
    CH](O)[CH](C)[CH](O1)C=CC; C/C=C/[C@H]1[
    C@H]([C@@H](C[C@H](O1)[C@H](/C=C/C=C(\C)
    /C[C@@H](C)/C=C(/C)\C=C\[C@@H](C[C@@H](C
    C(=O)OC)N)O)N)O)C    		 methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate
    28472 MFG
    DB08176    		 2 C11 H12 F N InChI=1S/C11H12FN/c1-9(8-
    13)2-3-10-4-6-11(12)7-5-1
    0/h4-8,13H,1-3H2/b13-8+;
    CFVUPEQWSFCCFT-MDWZMJQESA-N    		 Fc1ccc(cc1)CCC(=C)/C=[N@H]; [H]N=CC(=C)C
    Cc1ccc(cc1)F; Fc1ccc(CCC(=C)C=N)cc1; [H]
    /N=C/C(=C)CCc1ccc(cc1)F    		 (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE
    28473 MFH 0 C10 H14 N2 O3 InChI=1S/C10H14N2O3/c11-8
    (6-12-10(14)15)5-7-1-3-9(
    13)4-2-7/h1-4,8,12-13H,5-
    6,11H2,(H,14,15)/t8-/m0/s
    1;
    MAFLUNGZGRQAEK-QMMMGPOBSA-N    		 c1cc(ccc1C[C@@H](CNC(=O)O)N)O; N[CH](CNC
    (O)=O)Cc1ccc(O)cc1; c1cc(ccc1CC(CNC(=O)O
    )N)O; N[C@H](CNC(O)=O)Cc1ccc(O)cc1    		 [(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid
    28474 MFJ 1 C23 H29 O4 P InChI=1S/C23H29O4P/c1-2-3
    -4-5-6-7-8-9-10-13-19-27-
    23(28(24,25)26)22-18-14-1
    6-20-15-11-12-17-21(20)22
    /h4-5,8-18,23H,2-3,6-7,19
    H2,1H3,(H2,24,25,26)/b5-4
    -,9-8-,13-10+/t23-/m1/s1;
    NQBCLJOVYMZXNE-MNTXUOLASA-N    		 CCCC=CCCC=CC=CCOC(c1cccc2c1cccc2)P(=O)(O
    )O; CCC/C=C\CC/C=C\C=C\CO[C@@H](c1cccc2c
    1cccc2)P(=O)(O)O; CCCC=CCCC=CC=CCO[CH](c
    1cccc2ccccc12)[P](O)(O)=O; CCC\C=C/CC\C=
    C/C=C/CO[C@@H](c1cccc2ccccc12)[P](O)(O)=
    O; c1ccc2c(cccc2c1)C(OCC=[C@H]/C=C\CC/C=
    C\CCC)P(=O)(O)O    		 [(R)-{[(2E,4Z,8Z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid
    28475 MFK
    ZINC000096014554    		 10 C31 H54 N7 O17 P3 S InChI=1S/C31H54N7O17P3S/c
    1-4-5-6-7-8-9-10-11-22(40
    )59-15-14-33-21(39)12-13-
    34-29(43)26(42)31(2,3)17-
    52-58(49,50)55-57(47,48)5
    1-16-20-25(54-56(44,45)46
    )24(41)30(53-20)38-19-37-
    23-27(32)35-18-36-28(23)3
    8/h18-20,24-26,30,41-42H,
    4-17H2,1-3H3,(H,33,39)(H,
    34,43)(H,47,48)(H,49,50)(
    H2,32,35,36)(H2,44,45,46)
    /t20-,24-,25-,26+,30-/m1/
    s1;
    CNKJPHSEFDPYDB-HSJNEKGZSA-N    		 CCCCCCCCCC(=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; CCCCCCCCCC(=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)n2
    cnc3c(N)ncnc23; CCCCCCCCCC(=O)SCCNC(=O)C
    CNC(=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(n2
    cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCC
    C; CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)
    (C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc
    3c2ncnc3N)O)OP(=O)(O)O)O    		 decanoyl-CoA
    28476 MFL 2 C25 H37 N5 O7 InChI=1S/C25H37N5O7/c1-25
    (2,3)37-24(36)29-16-6-5-1
    1-30(23(16)35)18(12-14-7-
    8-14)21(33)28-17(19(31)22
    (34)26-4)13-15-9-10-27-20
    (15)32/h5-6,11,14-15,17-1
    9,31H,7-10,12-13H2,1-4H3,
    (H,26,34)(H,27,32)(H,28,3
    3)(H,29,36)/t15-,17-,18-,
    19+/m0/s1;
    GYAZATSRBWQIIG-DSLXNQLJSA-N    		 CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[
    CH](CC2CC2)N3C=CC=C(NC(=O)OC(C)(C)C)C3=O
    ; CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)
    C(=O)NC(CC3CCNC3=O)C(C(=O)NC)O; CC(C)(C)
    OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)
    N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NC)O;
    CNC(=O)[C@H](O)[C@H](C[C@@H]1CCNC1=O)NC
    (=O)[C@H](CC2CC2)N3C=CC=C(NC(=O)OC(C)(C)
    C)C3=O    		 tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate;
    tert-butyl (1-((S)-3-cyclopropyl-1-(((S)-4-(methylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate;
    MG-100 inhibitor (covalently bound to protein)
    28477 MFM
    CHEMBL593602
    DB08177
    ZINC000002240008    		 2 C17 H12 Cl N O4 S2 InChI=1S/C17H12ClNO4S2/c1
    8-11-3-1-10(2-4-11)13-6-5
    -12(23-13)9-14-16(22)19(1
    7(24)25-14)8-7-15(20)21/h
    1-6,9H,7-8H2,(H,20,21)/b1
    4-9+;
    YZLFZFALAZYTCI-NTEUORMPSA-N    		 OC(=O)CCN1C(=S)SC(=C/c2oc(cc2)c3ccc(Cl)c
    c3)/C1=O; c1cc(ccc1c2ccc(o2)/C=C/3\C(=O)
    N(C(=S)S3)CCC(=O)O)Cl; c1cc(ccc1c2ccc(o2
    )C=C3C(=O)N(C(=S)S3)CCC(=O)O)Cl; OC(=O)C
    CN1C(=S)SC(=Cc2oc(cc2)c3ccc(Cl)cc3)C1=O;
    S=C1S/C(C(=O)N1CCC(=O)O)=C/c3oc(c2ccc(C
    l)cc2)cc3    		 (E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID
    28478 MFN 23 C35 H44 N4 O16 InChI=1S/C35H44N4O16/c40-
    19-36-16-23-15-21(18-55-2
    3)17-54-22-3-1-20(2-4-22)
    13-14-37-28(41)10-7-26(34
    (50)51)39-30(43)11-8-27(3
    5(52)53)38-29(42)9-5-24(3
    2(46)47)25(33(48)49)6-12-
    31(44)45/h1-4,15,18-19,24
    -27H,5-14,16-17H2,(H,36,4
    0)(H,37,41)(H,38,42)(H,39
    ,43)(H,44,45)(H,46,47)(H,
    48,49)(H,50,51)(H,52,53)/
    t24?,25?,26-,27+/m1/s1;
    RGBIJPWAWLXPOC-XRVZLLLRSA-N    		 O=C(O)C(CCC(=O)O)C(C(=O)O)CCC(=O)NC(C(=O
    )O)CCC(=O)NC(C(=O)O)CCC(=O)NCCc2ccc(OCc1
    cc(oc1)CNC=O)cc2; c1cc(ccc1CCNC(=O)CCC(C
    (=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(CCC(=
    O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O; c1cc
    (ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@
    H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C
    (=O)O)C(=O)O)OCc2cc(oc2)CNC=O; OC(=O)CCC
    ([CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(=O)N
    CCc1ccc(OCc2coc(CNC=O)c2)cc1)C(O)=O)C(O)
    =O)C(O)=O)C(O)=O; OC(=O)CCC([C@@H](CCC(=
    O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCc1ccc(
    OCc2coc(CNC=O)c2)cc1)C(O)=O)C(O)=O)C(O)=
    O)C(O)=O    		 N-[4,5,7-TRICARBOXYHEPTANOYL]-L-GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-3-FURYL}METHOXY)PHENYL]ETHYL}-D-GLUTAMINE
    28479 MFO
    ZINC000584905623    		 0 C22 H23 N6 O8 P InChI=1S/C22H23N6O8P/c1-1
    1(29)27(14-7-6-12-4-2-3-5
    -13(12)8-14)22-24-18-19(2
    5-21(23)26-20(18)31)28(22
    )17-9-15(30)16(36-17)10-3
    5-37(32,33)34/h2-8,15-17,
    30H,9-10H2,1H3,(H2,32,33,
    34)(H3,23,25,26,31)/t15-,
    16+,17+/m0/s1;
    AEEKNUIQRYLODW-GVDBMIGSSA-N    		 CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3C5CC(C(O
    5)COP(=O)(O)O)O)NC(=NC4=O)N; CC(=O)N(c1c
    cc2ccccc2c1)c3nc4C(=O)N=C(N)Nc4n3[C@H]5C
    [C@H](O)[C@@H](CO[P](O)(O)=O)O5; CC(=O)N
    (c1ccc2ccccc2c1)c3nc4C(=O)N=C(N)Nc4n3[CH
    ]5C[CH](O)[CH](CO[P](O)(O)=O)O5; CC(=O)N
    (c1ccc2ccccc2c1)c3nc4c(n3[C@H]5C[C@@H]([
    C@H](O5)COP(=O)(O)O)O)NC(=NC4=O)N    		 [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    28480 MFP
    ZINC000001487879    		 1 C24 H27 Br N6 O2 InChI=1S/C24H27BrN6O2/c1-
    17-4-9-22(21(25)12-17)31(
    11-10-26)24-13-23(27-16-2
    8-24)29-18-5-7-20(8-6-18)
    33-15-19(32)14-30(2)3/h4-
    9,12-13,16,19,32H,11,14-1
    5H2,1-3H3,(H,27,28,29)/t1
    9-/m1/s1;
    UUISESFNPSRBFN-LJQANCHMSA-N    		 CN(C)C[C@@H](O)COc1ccc(Nc2cc(ncn2)N(CC#N
    )c3ccc(C)cc3Br)cc1; Cc1ccc(c(c1)Br)N(CC#
    N)c2cc(ncn2)Nc3ccc(cc3)OCC(CN(C)C)O; CN(
    C)C[CH](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c3cc
    c(C)cc3Br)cc1; Cc1ccc(c(c1)Br)N(CC#N)c2c
    c(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O; Brc
    1cc(ccc1N(c3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2
    )c3)CC#N)C    		 ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE
    28481 MFQ
    ZINC000003581437    		 1 C24 H27 Br N6 O2 InChI=1S/C24H27BrN6O2/c1-
    17-4-9-22(21(25)12-17)31(
    11-10-26)24-13-23(27-16-2
    8-24)29-18-5-7-20(8-6-18)
    33-15-19(32)14-30(2)3/h4-
    9,12-13,16,19,32H,11,14-1
    5H2,1-3H3,(H,27,28,29)/t1
    9-/m0/s1;
    UUISESFNPSRBFN-IBGZPJMESA-N    		 Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(c
    c3)OC[C@H](CN(C)C)O; CN(C)C[C@H](O)COc1c
    cc(Nc2cc(ncn2)N(CC#N)c3ccc(C)cc3Br)cc1;
    Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(c
    c3)OCC(CN(C)C)O; CN(C)C[CH](O)COc1ccc(Nc
    2cc(ncn2)N(CC#N)c3ccc(C)cc3Br)cc1; Brc1c
    c(ccc1N(c3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c
    3)CC#N)C    		 ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE
    28482 MFR
    CHEMBL270686
    DB08178
    ZINC000016052675    		 4 C12 H11 N5 O InChI=1S/C12H11N5O/c1-18-
    9-3-5-14-11-10(9)7(6-16-1
    1)8-2-4-15-12(13)17-8/h2-
    6H,1H3,(H,14,16)(H2,13,15
    ,17);
    GGEWEQJWGGJUHO-UHFFFAOYSA-N    		 COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N; COc1ccn
    c2[nH]cc(c3ccnc(N)n3)c12; n1ccc(OC)c2c1n
    cc2c3nc(ncc3)N    		 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
    28483 MFT
    ZINC000058638554    		 0 C11 H17 N2 O8 P InChI=1S/C11H17N2O8P/c1-6
    -4-13(11(16)12(2)10(6)15)
    9-3-7(14)8(21-9)5-20-22(1
    7,18)19/h4,7-9,14H,3,5H2,
    1-2H3,(H2,17,18,19)/t7-,8
    +,9+/m0/s1;
    NTZJWSXYZFTRBM-DJLDLDEBSA-N    		 CN1C(=O)N(C=C(C)C1=O)[C@H]2C[C@H](O)[C@@
    H](CO[P](O)(O)=O)O2; CN1C(=O)N(C=C(C)C1=
    O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2; CC
    1=CN(C(=O)N(C1=O)C)C2CC(C(O2)COP(=O)(O)O
    )O; CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([
    C@H](O2)COP(=O)(O)O)O; O=P(O)(O)OCC2OC(N
    1C(=O)N(C(=O)C(=C1)C)C)CC2O    		 3-methylthymidine 5'-(dihydrogen phosphate)
    28484 MFU
    CHEMBL1234282
    DB03879
    ZINC000002509839    		 193 C7 H14 O5 InChI=1S/C7H14O5/c1-3-4(8
    )5(9)6(10)7(11-2)12-3/h3-
    10H,1-2H3/t3-,4+,5+,6-,7+
    /m0/s1;
    OHWCAVRRXKJCRB-CXNFULCWSA-N    		 CC1C(C(C(C(O1)OC)O)O)O; C[C@H]1[C@H]([C@
    H]([C@@H]([C@@H](O1)OC)O)O)O; OC1C(O)C(O
    )C(OC1OC)C; CO[CH]1O[CH](C)[CH](O)[CH](O
    )[CH]1O; CO[C@@H]1O[C@@H](C)[C@@H](O)[C@
    @H](O)[C@@H]1O    		 methyl alpha-L-fucopyranoside;
    ALPHA-L-METHYL-FUCOSE;
    methyl 6-deoxy-alpha-L-galactopyranoside;
    methyl alpha-L-fucoside;
    methyl L-fucoside;
    methyl fucoside
    28485 MFV 0 C16 H19 N3 O5 InChI=1S/C16H19N3O5/c1-8-
    5-10(3-4-12(8)21)6-11-16(
    24)19(7-13(22)23)15(18-11
    )14(17)9(2)20/h3-6,9,14,2
    0-21H,7,17H2,1-2H3,(H,22,
    23)/b11-6-/t9-,14+/m1/s1;
    ZMLILWZLIXQOMW-WOKDAPTFSA-N    		 C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(C)c2)C(
    =O)N1CC(O)=O; Cc1cc(ccc1O)C=C2C(=O)N(C(=
    N2)C(C(C)O)N)CC(=O)O; C[C@@H](O)[C@H](N)
    C1=N\C(=C/c2ccc(O)c(C)c2)C(=O)N1CC(O)=O;
    NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=C\c2cc(
    C)c(cc2)O; Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=
    N2)[C@H]([C@@H](C)O)N)CC(=O)O    		 {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    28486 MFW
    CHEMBL18620
    ZINC000000895304    		 2 C5 H8 O InChI=1S/C5H8O/c6-5-3-1-2
    -4-5/h1-4H2;
    BGTOWKSIORTVQH-UHFFFAOYSA-N    		 C1CCC(=O)C1; O=C1CCCC1 cyclopentanone
    28487 MFX
    CHEMBL32
    DB00218
    ZINC000003826253    		 7 C21 H24 F N3 O4 InChI=1S/C21H24FN3O4/c1-2
    9-20-17-13(19(26)14(21(27
    )28)9-25(17)12-4-5-12)7-1
    5(22)18(20)24-8-11-3-2-6-
    23-16(11)10-24/h7,9,11-12
    ,16,23H,2-6,8,10H2,1H3,(H
    ,27,28)/t11-,16+/m0/s1;
    FABPRXSRWADJSP-MEDUHNTESA-N    		 COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4C(=
    O)C(=CN(C5CC5)c14)C(O)=O; COc1c(N2C[CH]3
    CCCN[CH]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)
    C(O)=O; Fc2cc1C(=O)C(C(=O)O)=CN(c1c(OC)c
    2N4CC3CCCNC3C4)C5CC5; COc1c2c(cc(c1N3CC4
    CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O; COc1
    c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)
    C(=CN2C5CC5)C(=O)O    		 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;
    moxifloxacin
    28488 MFY
    ZINC000083381965    		 1 C9 H12 Cl N O3 S InChI=1S/C9H12ClNO3S/c10-
    9-3-1-8(2-4-9)7-11-5-6-15
    (12,13)14/h1-4,11H,5-7H2,
    (H,12,13,14);
    LPASPBAPDABFEL-UHFFFAOYSA-N    		 O[S](=O)(=O)CCNCc1ccc(Cl)cc1; Clc1ccc(cc
    1)CNCCS(=O)(=O)O; c1cc(ccc1CNCCS(=O)(=O)
    O)Cl    		 2-[(4-chlorobenzyl)amino]ethanesulfonic acid
    28489 MFZ
    ZINC000263621124    		 2 C11 H7 Cl2 N O InChI=1S/C11H7Cl2NO/c12-8
    -3-4-9(13)11-10(8)7(6-14-
    11)2-1-5-15/h3-4,6,14-15H
    ,5H2;
    VIZAOCOKGQUJRZ-UHFFFAOYSA-N    		 c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl; OCC#Cc1
    c[nH]c2c(Cl)ccc(Cl)c12    		 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol
    28490 MG
    DB01378    		 49779 Mg InChI=1S/Mg/q+2;
    JLVVSXFLKOJNIY-UHFFFAOYSA-N    		 [Mg+2]; [Mg++] MAGNESIUM ION
    28491 MG0
    CHEMBL3114000
    ZINC000098209174    		 2 C18 H18 F6 N4 O3 S InChI=1S/C18H18F6N4O3S/c1
    9-17(20,21)16(29,18(22,23
    )24)12-1-3-13(4-2-12)27-7
    -9-28(10-8-27)32(30,31)14
    -5-6-15(25)26-11-14/h1-6,
    11,29H,7-10H2,(H2,25,26);
    KSFOBWMWXKUTRU-UHFFFAOYSA-N    		 c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC
    2)S(=O)(=O)c3ccc(nc3)N; Nc1ccc(cn1)[S](=
    O)(=O)N2CCN(CC2)c3ccc(cc3)C(O)(C(F)(F)F)
    C(F)(F)F; O=S(=O)(c1ccc(nc1)N)N3CCN(c2cc
    c(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3    		 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;
    AMG-5980
    28492 MG1
    ZINC000058638555    		 0 C11 H16 N5 O7 P InChI=1S/C11H16N5O7P/c1-1
    5-10(18)8-9(14-11(15)12)1
    6(4-13-8)7-2-5(17)6(23-7)
    3-22-24(19,20)21/h4-7,17H
    ,2-3H2,1H3,(H2,12,14)(H2,
    19,20,21)/t5-,6+,7+/m0/s1;
    GQIQEQNQLGRCMV-RRKCRQDMSA-N    		 CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3
    )COP(=O)(O)O)O)N=C1N; CN1C(=Nc2n(cnc2C1=
    O)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
    )N; O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3)CO
    P(=O)(O)O; CN1C(=O)c2c(n(cn2)C3CC(C(O3)C
    OP(=O)(O)O)O)N=C1N; CN1C(=Nc2n(cnc2C1=O)
    [CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)N    		 2'-DEOXY-1-METHYLGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)
    28493 MG2 1 C16 H18 F3 N3 O3 S InChI=1S/C16H18F3N3O3S/c1
    7-16(18,19)11-3-1-2-4-13(
    11)26(24,25)10-7-12(21-8-
    10)14(23)22-15(9-20)5-6-1
    5/h1-4,9-10,12,20-21H,5-8
    H2,(H,22,23)/b20-9+/t10-,
    12+/m1/s1;
    WIKZXNNJWQPKLI-FGAGOUGJSA-N    		 [H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2)S
    (=O)(=O)c3ccccc3C(F)(F)F; FC(F)(F)c1cccc
    c1[S](=O)(=O)[C@H]2CN[C@@H](C2)C(=O)NC3(
    CC3)C=N; c1ccc(c(c1)C(F)(F)F)S(=O)(=O)C2
    CC(NC2)C(=O)NC3(CC3)C=N; FC(F)(F)c1ccccc
    1[S](=O)(=O)[CH]2CN[CH](C2)C(=O)NC3(CC3)
    C=N; O=C(NC1(C=[N@H])CC1)C3NCC(S(=O)(=O)
    c2ccccc2C(F)(F)F)C3    		 (2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide
    28494 MG3 2 C36 H44 Cl2 N8 O3 S InChI=1S/C36H44Cl2N8O3S/c
    1-46-31(18-23-20-42-28-10
    -3-2-9-24(23)28)34(48)44-
    21-25-26(37)13-14-27(38)3
    2(25)50-35-22(8-7-17-41-3
    5)19-43-29(12-6-16-40)33(
    47)45-30(36(46)49)11-4-5-
    15-39/h2-3,7-10,13-14,17,
    20,29-31,42-43H,4-6,11-12
    ,15-16,18-19,21,39-40H2,1
    H3,(H,44,48)(H,45,47)/t29
    -,30-,31-/m0/s1;
    GBONSZKSVKTWGU-CHQNGUEUSA-N    		 CN1C(C(=O)NCc2c(ccc(c2Sc3c(cccn3)CNC(C(=
    O)NC(C1=O)CCCCN)CCCN)Cl)Cl)Cc4c[nH]c5c4c
    ccc5; Clc1ccc(Cl)c2CNC(=O)C(Cc3c[NH]c4cc
    ccc43)N(C)C(=O)C(CCCCN)NC(=O)C(NCc3cccnc
    3Sc12)CCCN; CN1[C@H](C(=O)NCc2c(ccc(c2Sc
    3c(cccn3)CN[C@H](C(=O)N[C@H](C1=O)CCCCN)
    CCCN)Cl)Cl)Cc4c[nH]c5c4cccc5; CN1[C@@H](
    Cc2c[nH]c3ccccc23)C(=O)NCc4c(Cl)ccc(Cl)c
    4Sc5ncccc5CN[C@@H](CCCN)C(=O)N[C@@H](CCC
    CN)C1=O; CN1[CH](Cc2c[nH]c3ccccc23)C(=O)
    NCc4c(Cl)ccc(Cl)c4Sc5ncccc5CN[CH](CCCN)C
    (=O)N[CH](CCCCN)C1=O    		 (7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione
    28495 MG5
    ZINC000098209175    		 1 C15 H25 N O11 S InChI=1S/C15H25NO11S/c1-4
    -9(17)25-12-8(7-23-28(16,
    21)22)24-15(20)14(27-11(1
    9)6-3)13(12)26-10(18)5-2/
    h8,12-15,20H,4-7H2,1-3H3,
    (H2,16,21,22)/t8-,12-,13+
    ,14-,15-/m1/s1;
    TUQHVAPJYYJQSN-VIPIRZDLSA-N    		 CCC(=O)O[CH]1[CH](O)O[CH](CO[S](N)(=O)=O
    )[CH](OC(=O)CC)[CH]1OC(=O)CC; CCC(=O)O[C
    @H]1[C@H](O)O[C@H](CO[S](N)(=O)=O)[C@@H]
    (OC(=O)CC)[C@@H]1OC(=O)CC; CCC(=O)OC1C(O
    C(C(C1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N;
    CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]
    1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N; O=S(=
    O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=
    O)CC)N    		 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose;
    2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucose;
    2,3,4-tri-O-propanoyl-6-O-sulfamoyl-D-glucose;
    2,3,4-tri-O-propanoyl-6-O-sulfamoyl-glucose
    28496 MG7
    CHEMBL1234293
    DB03493
    ZINC000018130229    		 7 C11 H16 N5 O5 InChI=1S/C11H15N5O5/c1-15
    -3-16(8-5(15)9(20)14-11(1
    2)13-8)10-7(19)6(18)4(2-1
    7)21-10/h3-4,6-7,10,17-19
    H,2H2,1H3,(H2-,12,13,14,2
    0)/p+1/t4-,6-,7-,10-/m1/s
    1;
    OGHAROSJZRTIOK-KQYNXXCUSA-O    		 C[n+]1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3N
    =C(N)NC(=O)c13; C[n+]1cn([C@@H]2O[C@H](C
    O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13; C[
    n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C
    @@H]([C@H](O3)CO)O)O; O=C1c2[n+](cn(c2N=
    C(N)N1)C3OC(C(O)C3O)CO)C; C[n+]1cn(c2c1C
    (=O)NC(=N2)N)C3C(C(C(O3)CO)O)O    		 7-METHYLGUANOSINE
    28497 MG8 4 C15 H31 N O6 InChI=1S/C15H31NO6/c1-3-4
    -5-6-7-8-13(20)16(2)9-11(
    18)14(21)15(22)12(19)10-1
    7/h11-12,14-15,17-19,21-2
    2H,3-10H2,1-2H3;
    SBWGZAXBCCNRTM-UHFFFAOYSA-N    		 CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C
    @@H](CO)O)O)O)O; CCCCCCCC(=O)N(C)CC(O)C(
    O)C(O)C(O)CO; O=C(N(C)CC(O)C(O)C(O)C(O)C
    O)CCCCCCC; CCCCCCCC(=O)N(C)CC(C(C(C(CO)O
    )O)O)O    		 N-OCTANOYL-N-METHYLGLUCAMINE;
    MEGA 8;
    N-(D-GLUCITYL)-N-METHYLOCTANAMIDE
    28498 MG9
    CHEMBL3114185    		 2 C21 H20 F6 N4 O3 S InChI=1S/C21H20F6N4O3S/c1
    -2-3-16-13-30(35(33,34)17
    -8-9-18(28)29-12-17)10-11
    -31(16)15-6-4-14(5-7-15)1
    9(32,20(22,23)24)21(25,26
    )27/h4-9,12,16,32H,10-11,
    13H2,1H3,(H2,28,29)/t16-/
    m0/s1;
    SIFKNECWLVONIH-INIZCTEOSA-N    		 CC#C[CH]1CN(CCN1c2ccc(cc2)C(O)(C(F)(F)F)
    C(F)(F)F)[S](=O)(=O)c3ccc(N)nc3; O=S(=O)
    (c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)(
    C(F)(F)F)C(F)(F)F)CC3; CC#CC1CN(CCN1c2cc
    c(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3
    ccc(nc3)N; CC#C[C@H]1CN(CCN1c2ccc(cc2)C(
    C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)
    N; CC#C[C@H]1CN(CCN1c2ccc(cc2)C(O)(C(F)(
    F)F)C(F)(F)F)[S](=O)(=O)c3ccc(N)nc3    		 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol;
    AMG-3969
    28499 MGA 0 C7 H14 O6 InChI=1/C7H14O6/c1-12-7-6
    (11)5(10)4(9)3(2-8)13-7/h
    3-11H,2H2,1H3/t3-,4+,5+,6
    -,7-/m1/s1;
    HOVAGTYPODGVJG-VOQCIKJUBJ    		 OC1C(O)C(O)C(OC1OC)CO; CO[C@H]1[C@@H]([C
    @H]([C@H]([C@H](O1)CO)O)O)O; CO[CH]1O[CH
    ](CO)[CH](O)[CH](O)[CH]1O; CO[C@@H]1O[C@
    H](CO)[C@H](O)[C@H](O)[C@H]1O; COC1C(C(C
    (C(O1)CO)O)O)O    		 BETA-METHYL-D-GALACTOSIDE
    28500 MGB
    CHEMBL216913
    DB12967
    ZINC000004557060    		 2 C5 H12 N8 InChI=1S/C5H12N8/c1-3(11-
    13-5(8)9)2-10-12-4(6)7/h2
    H,1H3,(H4,6,7,12)(H4,8,9,
    13)/b10-2+,11-3+;
    MXWHMTNPTTVWDM-NXOFHUPFSA-N    		 N(/NC(=[N@H])N)=C\C(=N\NC(=[N@H])N)C; [H
    ]/N=C(\N)/N/N=C/C(=NNC(=N)N)C; CC(/C=N/N
    C(N)=N)=N\NC(N)=N; CC(C=NNC(N)=N)=NNC(N)
    =N; [H]N=C(N)NN=CC(=NNC(=N)N)C    		 METHYLGLYOXAL BIS-(GUANYLHYDRAZONE)
    28501 MGC
    ZINC000005883988    		 14 C9 H17 N O6 InChI=1S/C9H17NO6/c1-4(12
    )10-6-8(14)7(13)5(3-11)16
    -9(6)15-2/h5-9,11,13-14H,
    3H2,1-2H3,(H,10,12)/t5-,6
    -,7+,8-,9+/m1/s1;
    ZEVOCXOZYFLVKN-ZEBDFXRSSA-N    		 CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1
    NC(C)=O; CO[CH]1O[CH](CO)[CH](O)[CH](O)[
    CH]1NC(C)=O; O=C(NC1C(O)C(O)C(OC1OC)CO)C
    ; CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H
    ]1OC)CO)O)O; CC(=O)NC1C(C(C(OC1OC)CO)O)O    		 methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside;
    ALPHA-METHYL-N-ACETYL-D-GALACTOSAMINE;
    methyl 2-acetamido-2-deoxy-alpha-D-galactoside;
    methyl 2-acetamido-2-deoxy-D-galactoside;
    methyl 2-acetamido-2-deoxy-galactoside
    28502 MGD
    ZINC000195757106    		 380 C20 H26 N10 O13 P2 S2 InChI=1S/C20H26N10O13P2S2
    /c21-19-26-13-7(15(33)28-
    19)24-6-12(47)11(46)5(41-
    17(6)25-13)2-40-45(37,38)
    43-44(35,36)39-1-4-9(31)1
    0(32)18(42-4)30-3-23-8-14
    (30)27-20(22)29-16(8)34/h
    3-6,9-10,17-18,24,31-32,4
    6-47H,1-2H2,(H,35,36)(H,3
    7,38)(H3,22,27,29,34)(H4,
    21,25,26,28,33)/t4-,5-,6+
    ,9-,10-,17-,18-/m1/s1;
    VQAGYJCYOLHZDH-ILXWUORBSA-N    		 NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=
    O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)
    n5cnc6C(=O)NC(=Nc56)N)C(=C3S)S)C(=O)N1;
    c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O
    CC4C(=C(C5C(O4)NC6=C(N5)C(=O)NC(=N6)N)S)
    S)O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[C@@H]
    ([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O
    )(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(
    N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N; O=
    C1C=2NC3C(S)=C(S)C(OC3NC=2N=C(N)N1)COP(=
    O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O
    )C(O)C6O; NC1=NC2=C(N[C@@H]3[C@H](N2)O[C
    @H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O
    [C@H]([C@H](O)[C@@H]4O)n5cnc6C(=O)NC(=Nc
    56)N)C(=C3S)S)C(=O)N1    		 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE;
    MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE
    28503 MGE
    DB04735
    ZINC000053683624    		 0 C38 H72 O10 InChI=1S/C38H72O10/c1-3-5
    -7-9-11-13-15-16-17-19-21
    -23-25-27-34(41)47-31(30-
    46-38-37(44)36(43)35(42)3
    2(28-39)48-38)29-45-33(40
    )26-24-22-20-18-14-12-10-
    8-6-4-2/h31-32,35-39,42-4
    4H,3-30H2,1-2H3/t31-,32+,
    35+,36+,37+,38-/m1/s1;
    FIJGNIAJTZSERN-DQQGJSMTSA-N    		 CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1[C@H
    ]([C@H]([C@H]([C@@H](O1)CO)O)O)O)COC(=O)
    CCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC(COC
    1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC
    ; O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C
    (O)C(O)C1O)CO)CCCCCCCCCCCC; CCCCCCCCCCCC
    CCCC(=O)O[C@@H](CO[C@@H]1O[C@@H](CO)[C@H
    ](O)[C@H](O)[C@@H]1O)COC(=O)CCCCCCCCCCCC
    ; CCCCCCCCCCCCCCCC(=O)O[CH](CO[CH]1O[CH]
    (CO)[CH](O)[CH](O)[CH]1O)COC(=O)CCCCCCCC
    CCCC    		 (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE;
    MONOGALACTOSYL-DIACYLGLYCEROL
    28504 MGF 47 F3 Mg InChI=1S/3FH.Mg/h3*1H;/q;
    ;;+2/p-3;
    GJOMWUHGUQLOAC-UHFFFAOYSA-K    		 F[Mg-](F)F TRIFLUOROMAGNESATE
    28505 MGG 0 C9 H17 N4 O5 InChI=1S/C9H16N4O5/c10-9(
    11)12-3-1-2-5(8(17)18)13-
    6(14)4-7(15)16/h5H,1-4H2,
    (H,13,14)(H,15,16)(H,17,1
    8)(H4,10,11,12)/p+1/t5-/m
    1/s1;
    OBXDDNPKMORRHB-RXMQYKEDSA-O    		 C(CC(C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N;
    C(C[C@H](C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2
    +])N; O=C(NC(C(=O)O)CCCNC(=[NH2+])\N)CC(
    =O)O; NC(=[NH2+])NCCC[CH](NC(=O)CC(O)=O)
    C(O)=O; NC(=[NH2+])NCCC[C@@H](NC(=O)CC(O
    )=O)C(O)=O    		 2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-PENTANOIC ACID;
    D-ARGININE WITH 3-OXO-PROPIONIC ACID MODIFICATION
    28506 MGH
    ZINC000095921294    		 2 C20 H24 N4 O6 InChI=1S/C20H24N4O6/c1-30
    -20(29)16(9-15-10-21-13-2
    2-15)23-17(25)11-24(12-19
    (27)28)18(26)8-7-14-5-3-2
    -4-6-14/h2-6,10,13,16H,7-
    9,11-12H2,1H3,(H,21,22)(H
    ,23,25)(H,27,28)/t16-/m1/
    s1;
    FTBNIEVYMZAOPN-MRXNPFEDSA-N    		 COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CN(CC(O)
    =O)C(=O)CCc2ccccc2; COC(=O)[C@@H](Cc1c[n
    H]cn1)NC(=O)CN(CC(=O)O)C(=O)CCc2ccccc2;
    COC(=O)[CH](Cc1c[nH]cn1)NC(=O)CN(CC(O)=O
    )C(=O)CCc2ccccc2; COC(=O)C(Cc1c[nH]cn1)N
    C(=O)CN(CC(=O)O)C(=O)CCc2ccccc2; O=C(O)C
    N(C(=O)CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2nc
    nc2    		 methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate;
    (S)-2-{2-[Carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester
    28507 MGI
    CHEMBL1234300
    DB08179
    ZINC000036430941    		 4 C16 H16 O6 InChI=1S/C16H16O6/c1-8-4-
    12(18)15(19)13(5-8)22-10-
    6-9(2)14(11(17)7-10)16(20
    )21-3/h4-7,17-19H,1-3H3;
    BLXSEOJIXHWXQJ-UHFFFAOYSA-N    		 Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O)
    O; O=C(OC)c2c(cc(Oc1cc(cc(O)c1O)C)cc2O)C
    ; COC(=O)c1c(C)cc(Oc2cc(C)cc(O)c2O)cc1O    		 methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate;
    methyl-gerfelin
    28508 MGJ
    CHEMBL3235416
    ZINC000095921402    		 2 C20 H27 N5 O4 InChI=1S/C20H27N5O4/c1-21
    -20(29)17(10-16-11-22-14-
    23-16)24-18(26)12-25(13-1
    9(27)28)9-5-8-15-6-3-2-4-
    7-15/h2-4,6-7,11,14,17H,5
    ,8-10,12-13H2,1H3,(H,21,2
    9)(H,22,23)(H,24,26)(H,27
    ,28)/t17-/m0/s1;
    QEPAXTJXHXPFJN-KRWDZBQOSA-N    		 CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@](CCC
    c2ccccc2)CC(=O)O; CNC(=O)[CH](Cc1c[nH]cn
    1)NC(=O)CN(CCCc2ccccc2)CC(O)=O; CNC(=O)[
    C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc2ccccc2)CC
    (O)=O; CNC(=O)C(Cc1c[nH]cn1)NC(=O)CN(CCC
    c2ccccc2)CC(=O)O; O=C(O)CN(CCCc1ccccc1)C
    C(=O)NC(C(=O)NC)Cc2ncnc2    		 N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide;
    [{[(S)-2-(1H-Imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid
    28509 MGK
    CHEMBL3235414
    ZINC000095921297    		 2 C20 H26 N4 O5 InChI=1S/C20H26N4O5/c1-29
    -20(28)17(10-16-11-21-14-
    22-16)23-18(25)12-24(13-1
    9(26)27)9-5-8-15-6-3-2-4-
    7-15/h2-4,6-7,11,14,17H,5
    ,8-10,12-13H2,1H3,(H,21,2
    2)(H,23,25)(H,26,27)/t17-
    /m0/s1;
    OLFNGPVNZBLJOR-KRWDZBQOSA-N    		 COC(=O)[CH](Cc1[nH]cnc1)NC(=O)CN(CCCc2cc
    ccc2)CC(O)=O; COC(=O)[C@H](Cc1[nH]cnc1)N
    C(=O)CN(CCCc2ccccc2)CC(O)=O; O=C(O)CN(CC
    Cc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2; COC
    (=O)C(Cc1cnc[nH]1)NC(=O)CN(CCCc2ccccc2)C
    C(=O)O; COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C
    [N@](CCCc2ccccc2)CC(=O)O    		 methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate;
    ((S)-2-{2-[Carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1H-imidazol-4-yl)-propionic acid methyl ester
    28510 MGL
    CHEMBL132186
    DB01642
    ZINC000004262103    		 13 C7 H14 O6 InChI=1S/C7H14O6/c1-12-7-
    6(11)5(10)4(9)3(2-8)13-7/
    h3-11H,2H2,1H3/t3-,4-,5+,
    6-,7-/m1/s1;
    HOVAGTYPODGVJG-XUUWZHRGSA-N    		 OC1C(O)C(O)C(OC1OC)CO; CO[C@H]1[C@@H]([C
    @H]([C@@H]([C@H](O1)CO)O)O)O; CO[CH]1O[C
    H](CO)[CH](O)[CH](O)[CH]1O; CO[C@@H]1O[C
    @H](CO)[C@@H](O)[C@H](O)[C@H]1O; COC1C(C
    (C(C(O1)CO)O)O)O    		 methyl beta-D-glucopyranoside;
    O1-METHYL-GLUCOSE;
    methyl beta-D-glucoside;
    methyl D-glucoside;
    methyl glucoside
    28511 MGM
    CHEMBL71360
    DB08180    		 65 C19 H37 N O7 P2 InChI=1S/C19H37NO7P2/c1-1
    7(2)9-6-10-18(3)11-7-12-1
    9(4)13-8-14-20(5)15-16-26
    -29(24,25)27-28(21,22)23/
    h9,11,13H,6-8,10,12,14-16
    H2,1-5H3,(H,24,25)(H2,21,
    22,23)/b18-11+,19-13+;
    OEMBPHBKZPOPBN-NWLVNBMCSA-N    		 CN(CCO[P@@](O)(=O)O[P](O)(O)=O)CC/C=C(C)
    /CC\C=C(/C)CCC=C(C)C; CC(=CCC/C(=C/CC/C(
    =C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)
    C; CC(=CCCC(=CCCC(=CCCN(C)CCOP(=O)(O)OP(
    =O)(O)O)C)C)C; CN(CCO[P](O)(=O)O[P](O)(O
    )=O)CCC=C(C)CCC=C(C)CCC=C(C)C; O=P(OP(=O
    )(OCCN(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
    )O)(O)O    		 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE;
    3-AZAGERANYLGERANYL DIPHOSPHATE
    28512 MGN
    ZINC000001675043    		 0 C6 H12 N2 O3 InChI=1S/C6H12N2O3/c1-6(8
    ,5(10)11)3-2-4(7)9/h2-3,8
    H2,1H3,(H2,7,9)(H,10,11)/
    t6-/m0/s1;
    YLTNWAQTQJRBKR-LURJTMIESA-N    		 C[C@](N)(CCC(N)=O)C(O)=O; C[C](N)(CCC(N)
    =O)C(O)=O; C[C@](CCC(=O)N)(C(=O)O)N; CC(
    CCC(=O)N)(C(=O)O)N; O=C(N)CCC(N)(C(=O)O)
    C    		 2-METHYL-GLUTAMINE
    28513 MGO
    ZINC000016052587    		 8 C12 H20 N4 O14 P3 InChI=1S/C12H19N4O14P3/c1
    -15-4-16(5-2-7(13)14-11(1
    9)8(5)15)12-10(18)9(17)6(
    28-12)3-27-32(23,24)30-33
    (25,26)29-31(20,21)22/h2,
    4,6,9-10,12,17-18H,3H2,1H
    3,(H6-,13,14,19,20,21,22,
    23,24,25,26)/p+1/t6-,9-,1
    0-,12-/m1/s1;
    LPHBJZOLBGBNJF-XYHAGOFUSA-O    		 C[n+]1cn(c2c1C(=O)NC(=C2)N)C3C(C(C(O3)CO
    P(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O; C[n+]1c
    n([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P]
    (O)(O)=O)[CH](O)[CH]2O)c3C=C(N)NC(=O)c13
    ; C[n+]1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O
    [P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
    )c3C=C(N)NC(=O)c13; O=P(O)(O)OP(=O)(O)OP
    (=O)(O)OCC3OC(n1c[n+](c2c1C=C(N)NC2=O)C)
    C(O)C3O; C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H
    ]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[
    P@@](=O)(O)OP(=O)(O)O)O)O    		 [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
    28514 MGP
    CHEMBL1234303
    DB02716
    ZINC000015601432    		 78 C11 H19 N5 O14 P3 InChI=1S/C11H18N5O14P3/c1
    -15-3-16(8-5(15)9(19)14-1
    1(12)13-8)10-7(18)6(17)4(
    28-10)2-27-32(23,24)30-33
    (25,26)29-31(20,21)22/h3-
    4,6-7,10,17-18H,2H2,1H3,(
    H6-,12,13,14,19,20,21,22,
    23,24,25,26)/p+1/t4-,6-,7
    -,10-/m1/s1;
    DKVRNHPCAOHRSI-KQYNXXCUSA-O    		 C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H](
    [C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)
    (O)OP(=O)(O)O)O)O; C[n+]1cn([C@@H]2O[C@H
    ](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)
    [C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13; C[n+
    ]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O
    )(O)OP(=O)(O)OP(=O)(O)O)O)O; O=P(O)(O)OP
    (=O)(O)OP(=O)(O)OCC3OC(n2c[n+](c1c2N=C(N
    )NC1=O)C)C(O)C3O; C[n+]1cn([CH]2O[CH](CO
    [P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O
    )[CH]2O)c3N=C(N)NC(=O)c13    		 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE
    28515 MGQ
    CHEMBL1234304
    ZINC000016052588    		 2 C17 H21 N5 O8 P InChI=1S/C17H20N5O8P/c18-
    17-19-14-11(15(25)20-17)2
    1(6-9-4-2-1-3-5-9)8-22(14
    )16-13(24)12(23)10(30-16)
    7-29-31(26,27)28/h1-5,8,1
    0,12-13,16,23-24H,6-7H2,(
    H4-,18,19,20,25,26,27,28)
    /p+1/t10-,12-,13-,16-/m1/
    s1;
    WMKJRKYLDWLLPS-XNIJJKJLSA-O    		 O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3O)CO
    P(=O)(O)O)Cc4ccccc4; c1ccc(cc1)C[n+]2cn(
    c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C
    @H](O4)COP(=O)(O)O)O)O; c1ccc(cc1)C[n+]2
    cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=O)(
    O)O)O)O; NC1=Nc2n(c[n+](Cc3ccccc3)c2C(=O
    )N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]
    4O; NC1=Nc2n(c[n+](Cc3ccccc3)c2C(=O)N1)[
    C@@H]4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H
    ]4O    		 7-BENZYL GUANINE MONOPHOSPHATE
    28516 MGR
    CHEMBL1181633
    DB03895
    ZINC000003953819    		 14 C23 H25 N2 InChI=1S/C23H25N2/c1-24(2
    )21-14-10-19(11-15-21)23(
    18-8-6-5-7-9-18)20-12-16-
    22(17-13-20)25(3)4/h5-17H
    ,1-4H3/q+1;
    VFCNQNZNPKRXIT-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)C(c2ccccc2)=C3C=CC(C=C3)=
    [N+](C)C; CN(C)c1ccc(cc1)C(=C2C=CC(=[N+]
    (C)C)C=C2)c3ccccc3; C(=C1\C=C/C(=[N+](/C
    )C)C=C1)(\c2ccccc2)c3ccc(N(C)C)cc3    		 MALACHITE GREEN
    28517 MGS
    ZINC000006490928    		 1 C12 H23 N O7 InChI=1S/C12H23NO7/c1-6-8
    (13-11(17)7(15)4-5-14)9(1
    6)10(18-2)12(19-3)20-6/h6
    -10,12,14-16H,4-5H2,1-3H3
    ,(H,13,17)/t6-,7-,8-,9+,1
    0+,12+/m1/s1;
    NGGZJRAGGXAXNO-DZXYHILESA-N    		 C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)
    OC)O)NC(=O)[C@@H](CCO)O; CO[C@H]1O[C@H](
    C)[C@@H](NC(=O)[C@H](O)CCO)[C@H](O)[C@@H
    ]1OC; O=C(NC1C(OC(OC)C(OC)C1O)C)C(O)CCO;
    CO[CH]1O[CH](C)[CH](NC(=O)[CH](O)CCO)[C
    H](O)[CH]1OC; CC1C(C(C(C(O1)OC)OC)O)NC(=
    O)C(CCO)O    		 methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranoside;
    1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-MANNOPYRANOSIDE;
    methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannoside;
    methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-D-mannoside;
    methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-mannoside
    28518 MGT
    CHEMBL1234306
    DB03358
    ZINC000036753028    		 64 C11 H20 N5 O14 P3 InChI=1S/C11H20N5O14P3/c1
    -15-3-16(8-5(15)9(19)14-1
    1(12)13-8)10-7(18)6(17)4(
    28-10)2-27-32(23,24)30-33
    (25,26)29-31(20,21)22/h4,
    6-7,10,17-18H,2-3H2,1H3,(
    H,23,24)(H,25,26)(H2,20,2
    1,22)(H3,12,13,14,19)/t4-
    ,6-,7-,10-/m1/s1;
    BUJQMJUTTBGELS-KQYNXXCUSA-N    		 O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N1C=2N
    =C(N)NC(=O)C=2N(C1)C)C(O)C3O; CN1CN(C2=C
    1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=
    O)(O)OP(=O)(O)O)O)O; CN1CN([C@@H]2O[C@H]
    (CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O
    )[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)N; CN
    1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[
    P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N
    3)N; CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@
    H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O
    )(O)OP(=O)(O)O)O)O    		 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
    28519 MGV
    ZINC000016052589    		 2 C17 H20 F N5 O8 P InChI=1S/C17H19FN5O8P/c18
    -9-3-1-8(2-4-9)5-22-7-23(
    14-11(22)15(26)21-17(19)2
    0-14)16-13(25)12(24)10(31
    -16)6-30-32(27,28)29/h1-4
    ,7,10,12-13,16,24-25H,5-6
    H2,(H4-,19,20,21,26,27,28
    ,29)/p+1/t10-,12-,13-,16-
    /m1/s1;
    VLABRVWLURSKLS-XNIJJKJLSA-O    		 c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H
    ]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O
    )F; Fc1ccc(cc1)C[n+]3c2c(N=C(N)NC2=O)n(c
    3)C4OC(C(O)C4O)COP(=O)(O)O; c1cc(ccc1C[n
    +]2cn(c3c2C(=O)NC(=N3)N)C4C(C(C(O4)COP(=
    O)(O)O)O)O)F; NC1=Nc2n(c[n+](Cc3ccc(F)cc
    3)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH
    ](O)[CH]4O; NC1=Nc2n(c[n+](Cc3ccc(F)cc3)
    c2C(=O)N1)[C@@H]4O[C@H](CO[P](O)(O)=O)[C
    @@H](O)[C@H]4O    		 P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE
    28520 MGW
    CHEMBL3235413
    ZINC000095921295    		 2 C19 H24 N4 O5 InChI=1S/C19H24N4O5/c1-28
    -19(27)16(9-15-10-20-13-2
    1-15)22-17(24)11-23(12-18
    (25)26)8-7-14-5-3-2-4-6-1
    4/h2-6,10,13,16H,7-9,11-1
    2H2,1H3,(H,20,21)(H,22,24
    )(H,25,26)/t16-/m0/s1;
    GGPUXIJTYUPCEL-INIZCTEOSA-N    		 COC(=O)C(Cc1cnc[nH]1)NC(=O)CN(CCc2ccccc2
    )CC(=O)O; COC(=O)[CH](Cc1[nH]cnc1)NC(=O)
    CN(CCc2ccccc2)CC(O)=O; COC(=O)[C@H](Cc1c
    nc[nH]1)NC(=O)C[N@@](CCc2ccccc2)CC(=O)O;
    COC(=O)[C@H](Cc1[nH]cnc1)NC(=O)CN(CCc2c
    cccc2)CC(O)=O; O=C(O)CN(CCc1ccccc1)CC(=O
    )NC(C(=O)OC)Cc2cncn2    		 methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate;
    ( (S)-2-[2-(Carboxymethyl-phenethyl-amino)-acetylamino]-3-(1H-imidazol-4-yl)-propionic acid methyl ester
    28521 MGX
    ZINC000004658576    		 8 C2 H7 N3 InChI=1S/C2H7N3/c1-5-2(3)
    4/h1H3,(H4,3,4,5);
    CHJJGSNFBQVOTG-UHFFFAOYSA-N    		 [H]/N=C(/N)\NC; CNC(N)=N; [N@H]=C(N)NC;
    [H]N=C(N)NC    		 1-METHYLGUANIDINE
    28522 MGY 0 C3 H7 N O2 InChI=1/C3H7NO2/c1-4-2-3(
    5)6/h4H,2H2,1H3,(H,5,6)/f
    /h5H;
    FSYKKLYZXJSNPZ-JSWHHWTPCS    		 O=C(O)CNC; CNCC(O)=O; CNCC(=O)O N-METHYLGLYCINE
    28523 MGZ
    CHEMBL3341939
    ZINC000038846715    		 1 C15 H10 Cl F3 O3 InChI=1S/C15H10ClF3O3/c16
    -11-6-4-9(5-7-11)13(14(20
    )21)22-12-3-1-2-10(8-12)1
    5(17,18)19/h1-8,13H,(H,20
    ,21)/t13-/m1/s1;
    DDTQLPXXNHLBAB-CYBMUJFWSA-N    		 OC(=O)[C@H](Oc1cccc(c1)C(F)(F)F)c2ccc(Cl
    )cc2; OC(=O)[CH](Oc1cccc(c1)C(F)(F)F)c2c
    cc(Cl)cc2; Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)
    (F)F)C(=O)O; c1cc(cc(c1)OC(c2ccc(cc2)Cl)
    C(=O)O)C(F)(F)F; c1cc(cc(c1)O[C@H](c2ccc
    (cc2)Cl)C(=O)O)C(F)(F)F    		 (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid;
    Metaglidasen
    28524 MH0 21 C34 H36 Fe N4 O4 InChI=1S/C34H36N4O4.Fe/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;/h13-16H,7-12H2,1-6
    H3,(H,39,40)(H,41,42);/b2
    5-13-,26-13-,27-14-,28-15
    -,29-14-,30-15-,31-16-,32
    -16-;;
    CKMCSMAXNUVLQI-RGGAHWMASA-N    		 [Fe]|1|2|3|N4=C5C=C6N|1=C(C=C7N|2=C(C=C8
    N|3=C(C=C4C(=C5CC)C)C(=C8CCC(O)=O)C)C(=C
    7C)CCC(O)=O)C(=C6C)CC; CCC1=C(C2=CC3=[N]
    4C(=CC5=[N]6[Fe]47[N]2=C1C=C8[N]7=C(C=C6
    C(=C5CCC(=O)O)C)C(=C8C)CC)C(=C3C)CCC(=O)
    O)C; O=C(O)CCC1=C(C2=CC=6C(=C(C5=CC=4C(=
    C(C3=CC=7C(=C(C8=CC1=N2[Fe](N3=4)(N5=6)N
    =78)CCC(=O)O)C)C)CC)C)CC)C    		 Mesoheme
    28525 MH1 0 C7 H11 N3 O2 InChI=1/C7H11N3O2/c1-10-3
    -5(9-4-10)2-6(8)7(11)12/h
    3-4,6H,2,8H2,1H3,(H,11,12
    )/t6-/m0/s1/f/h11H;
    BRMWTNUJHUMWMS-LBISWHJPDF    		 Cn1cc(nc1)CC(C(=O)O)N; Cn1cnc(C[CH](N)C(
    O)=O)c1; Cn1cc(nc1)C[C@@H](C(=O)O)N; Cn1
    cnc(C[C@H](N)C(O)=O)c1; O=C(O)C(N)Cc1ncn
    (c1)C    		 1-methyl-L-histidine
    28526 MH2 0 H Mn O InChI=1S/Mn.H2O/h;1H2/q+3
    ;/p-1;
    COIFCHMDWGZDDC-UHFFFAOYSA-M    		 O[Mn++]; [Mn+2]O; O[Mn+2] MANGANESE ION, 1 HYDROXYL COORDINATED;
    [MN(OH)]+
    28527 MH3 0 H Mn O InChI=1/Mn.H2O/h;1H2/q+4;
    /p-1/fMn.HO/h;1h/qm;-1/rH
    MnO/c1-2/h2H/q+3;
    FBMMUXAGOGMREU-FEEMQOGHCD    		 O[Mn+3]; [Mn+3]O MANGANESE ION, 1 HYDROXYL COORDINATED;
    [MN(OH)]2+
    28528 MH4
    CHEMBL1169805
    ZINC000053226666    		 1 C29 H33 N9 O InChI=1S/C29H33N9O/c1-19-
    16-20(10-11-30-19)17-31-2
    8(39)26-24-9-4-21-18-32-2
    9(34-25(21)27(24)37(3)35-
    26)33-22-5-7-23(8-6-22)38
    -14-12-36(2)13-15-38/h5-8
    ,10-11,16,18H,4,9,12-15,1
    7H2,1-3H3,(H,31,39)(H,32,
    33,34);
    BMPXFYMECYEYOL-UHFFFAOYSA-N    		 Cc1cc(ccn1)CNC(=O)c2c3c(n(n2)C)-c4c(cnc(
    n4)Nc5ccc(cc5)N6CCN(CC6)C)CC3; CN1CCN(CC
    1)c2ccc(Nc3ncc4CCc5c(nn(C)c5c4n3)C(=O)NC
    c6ccnc(C)c6)cc2; O=C(NCc1ccnc(c1)C)c4nn(
    c3c2nc(ncc2CCc34)Nc5ccc(cc5)N6CCN(C)CC6)
    C    		 1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-N-[(2-METHYLPYRIDIN-4-YL)METHYL]-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
    28529 MH5
    ZINC000000502908    		 2 C13 H13 N O2 S InChI=1S/C13H13NO2S/c1-9-
    5-6-12(17-9)8-14-11-4-2-3
    -10(7-11)13(15)16/h2-7,14
    H,8H2,1H3,(H,15,16);
    PMNTXRWWXFDZFS-UHFFFAOYSA-N    		 Cc1sc(CNc2cccc(c2)C(O)=O)cc1; Cc1ccc(s1)
    CNc2cccc(c2)C(=O)O    		 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid
    28530 MH6 5 C3 H5 N O3 InChI=1S/C3H5NO3/c4-2(1-5
    )3(6)7/h4-5H,1H2,(H,6,7)/
    b4-2+;
    MUHXUPVPXJXCGV-DUXPYHPUSA-N    		 [H]/N=C(\CO)/C(=O)O; OCC(=N)C(O)=O; C(C(
    =N)C(=O)O)O; O=C(O)C(=[N@H])CO    		 3-hydroxy-2-iminopropanoic acid
    28531 MH7
    CHEMBL3093760    		 1 C20 H35 N5 O2 InChI=1S/C20H35N5O2/c1-4-
    6-12-21-20-22-14-17(19(27
    )25(3)13-7-5-2)18(24-20)2
    3-15-8-10-16(26)11-9-15/h
    14-16,26H,4-13H2,1-3H3,(H
    2,21,22,23,24)/t15-,16-;
    XUYGOTAWDBTFJQ-WKILWMFISA-N    		 O=C(c1cnc(nc1NC2CCC(O)CC2)NCCCC)N(CCCC)C
    ; CCCCNc1ncc(C(=O)N(C)CCCC)c(N[CH]2CC[CH
    ](O)CC2)n1; CCCCNc1ncc(C(=O)N(C)CCCC)c(N
    [C@@H]2CC[C@@H](O)CC2)n1; CCCCNc1ncc(c(n
    1)NC2CCC(CC2)O)C(=O)N(C)CCCC    		 N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide
    28532 MH8
    ZINC000034887184    		 0 C8 H15 N O2 InChI=1S/C8H15NO2/c1-3-4-
    5-6-8(2,9)7(10)11/h3H,1,4
    -6,9H2,2H3,(H,10,11)/t8-/
    m0/s1;
    AERCCJGORROTKW-QMMMGPOBSA-N    		 O=C(O)C(N)(CCC/C=C)C; C[C](N)(CCCC=C)C(O
    )=O; CC(CCCC=C)(C(=O)O)N; C[C@](N)(CCCC=
    C)C(O)=O; C[C@](CCCC=C)(C(=O)O)N    		 (2S)-2-amino-2-methylhept-6-enoic acid
    28533 MH9
    ZINC000002023009    		 0 C12 H20 O2 InChI=1S/C12H20O2/c1-2-3-
    4-5-6-7-8-9-10-11-12(13)1
    4/h8-11H,2-7H2,1H3,(H,13,
    14)/b9-8+,11-10+;
    HQSBWLQFLLMPKC-BNFZFUHLSA-N    		 CCCCCCCC=CC=CC(O)=O; CCCCCCCC=CC=CC(=O)O
    ; CCCCCCC/C=C/C=C/C(=O)O; O=C(O)\C=C\C=C
    \CCCCCCC; CCCCCCC/C=C/C=C/C(O)=O    		 (2E,4E)-DODECA-2,4-DIENOIC ACID
    28534 MHA
    DB02810
    ZINC000002545127    		 37 C6 H10 N2 O5 InChI=1S/C6H10N2O5/c7-4(9
    )1-8(2-5(10)11)3-6(12)13/
    h1-3H2,(H2,7,9)(H,10,11)(
    H,12,13);
    QZTKDVCDBIDYMD-UHFFFAOYSA-N    		 NC(=O)CN(CC(O)=O)CC(O)=O; C(C(=O)N)N(CC(
    =O)O)CC(=O)O; O=C(O)CN(CC(=O)N)CC(=O)O    		 (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID;
    N-(2-ACETAMIDO)IMINODIACETIC ACID
    28535 MHB
    DB08181
    ZINC000006522023    		 2 C14 H12 N2 O3 InChI=1S/C14H12N2O3/c1-9-
    8-10(6-7-13(9)17)15-16-12
    -5-3-2-4-11(12)14(18)19/h
    2-8,17H,1H3,(H,18,19)/b16
    -15+;
    SBSCJWJICRGLIV-FOCLMDBBSA-N    		 Cc1cc(ccc1O)N=Nc2ccccc2C(=O)O; Cc1cc(ccc
    1O)N=Nc2ccccc2C(O)=O; O=C(O)c2ccccc2/N=N
    /c1ccc(O)c(c1)C; Cc1cc(ccc1O)/N=N/c2cccc
    c2C(=O)O    		 2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
    28536 MHC
    DB03372
    ZINC000005889667    		 1 C14 H16 N2 O S InChI=1S/C14H16N2OS/c17-1
    4(6-8-18)16-7-5-11-10-3-1
    -2-4-12(10)15-13(11)9-16/
    h1-4,15,18H,5-9H2;
    UGWLHSPOMCORRH-UHFFFAOYSA-N    		 O=C(N3CCc2c1ccccc1nc2C3)CCS; SCCC(=O)N1C
    Cc2c(C1)[nH]c3ccccc23; c1ccc2c(c1)c3c([n
    H]2)CN(CC3)C(=O)CCS    		 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE
    28537 MHD
    ZINC000103549803    		 2 C9 H9 N O InChI=1S/C9H9NO/c1-10-6-9
    (11)7-4-2-3-5-8(7)10/h2-6
    ,11H,1H3;
    CGLJIJABFUYKIL-UHFFFAOYSA-N    		 Cn1cc(c2c1cccc2)O; Oc2c1ccccc1n(c2)C; Cn
    1cc(O)c2ccccc12    		 1-methyl-1H-indol-3-ol
    28538 MHE
    ZINC000058649700    		 0 C8 H14 O3 InChI=1S/C8H14O3/c1-8(2,3
    )5-4-6(9)7(10)11/h4-5H2,1
    -3H3,(H,10,11);
    XOBCNMHHIDUDSZ-UHFFFAOYSA-N    		 CC(C)(C)CCC(=O)C(=O)O; CC(C)(C)CCC(=O)C(
    O)=O; O=C(C(=O)O)CCC(C)(C)C    		 5,5-dimethyl-2-oxohexanoic acid
    28539 MHF
    CHEMBL1234270
    DB12676
    ZINC000004228243    		 21 C20 H23 N7 O6 InChI=1S/C20H23N7O6/c21-2
    0-24-16-15(18(31)25-20)27
    -9-26(8-12(27)7-22-16)11-
    3-1-10(2-4-11)17(30)23-13
    (19(32)33)5-6-14(28)29/h1
    -4,12-13H,5-9H2,(H,23,30)
    (H,28,29)(H,32,33)(H4,21,
    22,24,25,31)/t12-,13+/m1/
    s1;
    QYNUQALWYRSVHF-OLZOCXBDSA-N    		 NC1=NC(=O)C2=C(NC[CH]3CN(CN23)c4ccc(cc4)
    C(=O)N[CH](CCC(O)=O)C(O)=O)N1; NC1=NC(=O
    )C2=C(NC[C@@H]3CN(CN23)c4ccc(cc4)C(=O)N[
    C@@H](CCC(O)=O)C(O)=O)N1; c1cc(ccc1C(=O)
    NC(CCC(=O)O)C(=O)O)N2CC3CNC4=C(N3C2)C(=O
    )N=C(N4)N; O=C(O)C(NC(=O)c1ccc(cc1)N4CC3
    N(C=2C(=O)N=C(N)NC=2NC3)C4)CCC(=O)O; c1c
    c(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C
    @H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N    		 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID
    28540 MHG 0 C17 H30 N5 O8 P InChI=1S/C17H30N5O8P/c1-4
    -9(2)5-6-21-8-22(14-11(21
    )15(25)20-17(18-3)19-14)1
    6-13(24)12(23)10(30-16)7-
    29-31(26,27)28/h9-10,12-1
    3,16,23-24H,4-8H2,1-3H3,(
    H2,26,27,28)(H2,18,19,20,
    25)/t9-,10+,12+,13+,16+/m
    0/s1;
    WNUMQHCELGRVGJ-UOYPZJKHSA-N    		 CC[C@H](C)CCN1CN(C2=C1C(=O)NC(=N2)NC)[C@
    H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)
    O; CC[CH](C)CCN1CN([CH]2O[CH](CO[P](O)(O
    )=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)NC; C
    C[C@H](C)CCN1CN([C@@H]2O[C@H](CO[P](O)(O
    )=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)NC
    ; CCC(C)CCN1CN(C2=C1C(=O)NC(=N2)NC)C3C(C
    (C(O3)COP(=O)(O)O)O)O    		 2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate
    28541 MHH
    ZINC000058649702    		 13 C7 H17 O3 P InChI=1S/C7H17O3P/c1-3-4-
    5-6-7-11(8,9)10-2/h3-7H2,
    1-2H3,(H,8,9);
    FOQQOPHBXMFLMD-UHFFFAOYSA-N    		 CCCCCC[P@](O)(=O)OC; CCCCCC[P@@](=O)(O)O
    C; CCCCCC[P](O)(=O)OC; CCCCCCP(=O)(O)OC;
    O=P(O)(OC)CCCCCC    		 methyl hydrogen (R)-hexylphosphonate
    28542 MHI
    CHEMBL1738838
    ZINC000031259714    		 6 C15 H26 N4 O8 InChI=1S/C15H26N4O8/c1-7(
    16)12(21)19-10(15(26)27)5
    -6-11(20)18-9(14(24)25)4-
    2-3-8(17)13(22)23/h7-10H,
    2-6,16-17H2,1H3,(H,18,20)
    (H,19,21)(H,22,23)(H,24,2
    5)(H,26,27)/t7-,8+,9-,10+
    /m0/s1;
    FMNCPUGORYYCEM-QCLAVDOMSA-N    		 C[CH](N)C(=O)N[CH](CCC(=O)N[CH](CCC[CH](
    N)C(O)=O)C(O)=O)C(O)=O; CC(C(=O)NC(CCC(=
    O)NC(CCCC(C(=O)O)N)C(=O)O)C(=O)O)N; C[C@
    H](N)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H
    ](N)C(O)=O)C(O)=O)C(O)=O; C[C@@H](C(=O)N
    [C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C
    (=O)O)C(=O)O)N    		 L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID
    28543 MHK
    CHEMBL6648
    ZINC000000616529    		 1 C10 H9 N O2 S InChI=1S/C10H9NO2S/c11-14
    (12,13)10-7-3-5-8-4-1-2-6
    -9(8)10/h1-7H,(H2,11,12,1
    3);
    ZFIFHAKCBWOSRN-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2S(=O)(=O)N; N[S](=O)(=O)
    c1cccc2ccccc12    		 naphthalene-1-sulfonamide
    28544 MHL 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-7(2,
    11)4-5(8-3)6(9)10/h5,8,11
    H,4H2,1-3H3,(H,9,10)/t5-/
    m0/s1;
    JRKMRRWEUORVRJ-YFKPBYRVSA-N    		 O=C(O)C(NC)CC(O)(C)C; CC(C)(CC(C(=O)O)NC
    )O; CC(C)(C[C@@H](C(=O)O)NC)O; CN[CH](CC
    (C)(C)O)C(O)=O; CN[C@@H](CC(C)(C)O)C(O)=
    O    		 N-METHYL-4-HYDROXY-LEUCINE
    28545 MHM 0 C34 H32 Fe N4 O4 InChI=1/C34H34N4O4.Fe/c1-
    7-21-17(3)25-13-26-19(5)2
    3(9-11-33(39)40)31(37-26)
    16-32-24(10-12-34(41)42)2
    0(6)28(38-32)15-30-22(8-2
    )18(4)27(36-30)14-29(21)3
    5-25;/h7-8,13-16H,1-2,9-1
    2H2,3-6H3,(H4,35,36,37,38
    ,39,40,41,42);/q;+4/p-2/b
    25-13-,26-13-,27-14-,28-1
    5-,29-14-,30-15-,31-16-,3
    2-16-;/fC34H32N4O4.Fe/h39
    ,41H;/q-2;m/rC34H30FeN4O4
    /c1-7-21-17(3)25-13-26-19
    (5)23(9-11-33(40)41)31-16
    -32-24(10-12-34(42)43)20(
    6)28-15-30-22(8-2)18(4)27
    -14-29(21)36(25)35(37(27)
    30,38(26)31)39(28)32/h7-8
    ,13-16H,1-2,9-12H2,3-6H3/
    p+2/fC34H32FeN4O4/h40,42H
    /q+2;
    YHLKGEDAGPGZPN-SGPGKBQZDG    		 CC1=C(CCC(O)=O)C2=CC3=[N+]4C(=Cc5n6c(C=C
    7C(=C(C)C8=[N+]7[Fe@]46N2C1=C8)C=C)c(C)c
    5C=C)C(=C3CCC(O)=O)C; O=C(O)CCC=1C7=[N+]
    4C(C=1C)=Cc5c(\C=C)c(c6C=C8[N+]3=C(C=C2C
    (=C(C(N2[Fe]34n56)=C7)CCC(=O)O)C)C(=C8\C
    =C)C)C; Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47
    n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)
    O)C)C=C)C)C(=C3C)C=C; CC1=C(CCC(O)=O)C2=
    CC3=[N+]4C(=Cc5n6c(C=C7C(=C(C)C8=[N+]7[F
    e]46N2C1=C8)C=C)c(C)c5C=C)C(=C3CCC(O)=O)
    C    		 [7,12-DIETHYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPORPANOTO-(2)-N21,N22,N23,N24,]IRON;
    MESOHEME
    28546 MHN
    ZINC000002039356    		 2 C8 H18 O InChI=1S/C8H18O/c1-8(2)6-
    4-3-5-7-9/h8-9H,3-7H2,1-2
    H3;
    BWDBEAQIHAEVLV-UHFFFAOYSA-N    		 OCCCCCC(C)C; CC(C)CCCCCO 6-METHYLHEPTAN-1-OL;
    METHYL HEPTANOL
    28547 MHO
    DB02467
    ZINC000003861729    		 1 C5 H11 N O3 S InChI=1S/C5H11NO3S/c1-10(
    9)3-2-4(6)5(7)8/h4H,2-3,6
    H2,1H3,(H,7,8)/t4-,10-/m0
    /s1;
    QEFRNWWLZKMPFJ-MFXDVPHUSA-N    		 CS(=O)CCC(C(=O)O)N; C[S](=O)CC[CH](N)C(O
    )=O; C[S@](=O)CC[C@H](N)C(O)=O; C[S@](=O
    )CC[C@@H](C(=O)O)N; O=C(O)C(N)CCS(=O)C    		 S-OXYMETHIONINE
    28548 MHQ
    CHEMBL455876
    ZINC000003876073    		 3 C27 H44 O InChI=1S/C27H44O/c1-18(2)
    7-6-8-19(3)23-11-12-24-22
    -10-9-20-17-21(28)13-15-2
    6(20,4)25(22)14-16-27(23,
    24)5/h7,9,19,21-25,28H,6,
    8,10-17H2,1-5H3/t19-,21+,
    22+,23-,24+,25+,26+,27-/m
    1/s1;
    AVSXSVCZWQODGV-DPAQBDIFSA-N    		 C[CH](CCC=C(C)C)[CH]1CC[CH]2[CH]3CC=C4C[
    CH](O)CC[C]4(C)[CH]3CC[C]12C; C[C@H](CCC
    =C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@
    H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C; CC(CCC
    =C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C
    )C; C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2[C@@H
    ]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]1
    2C    		 desmosterol
    28549 MHR
    CHEMBL270687
    DB08182
    ZINC000016052674    		 2 C14 H15 N5 O InChI=1S/C14H15N5O/c1-2-7
    -20-11-4-6-16-13-12(11)9(
    8-18-13)10-3-5-17-14(15)1
    9-10/h3-6,8H,2,7H2,1H3,(H
    ,16,18)(H2,15,17,19);
    ZHMRPXZRUZLCNL-UHFFFAOYSA-N    		 CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N; CCCOc
    1ccnc2[nH]cc(c3ccnc(N)n3)c12; n1ccc(OCCC
    )c2c1ncc2c3nc(ncc3)N    		 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
    28550 MHS
    ZINC000000895514    		 0 C7 H11 N3 O2 InChI=1S/C7H11N3O2/c1-10-
    4-9-3-5(10)2-6(8)7(11)12/
    h3-4,6H,2,8H2,1H3,(H,11,1
    2)/t6-/m0/s1;
    JDHILDINMRGULE-LURJTMIESA-N    		 Cn1cncc1C[C@H](N)C(O)=O; O=C(O)C(N)Cc1cn
    cn1C; Cn1cncc1C[C@@H](C(=O)O)N; Cn1cncc1
    CC(C(=O)O)N; Cn1cncc1C[CH](N)C(O)=O    		 N1-METHYLATED HISTIDINE
    28551 MHT
    ZINC000098209178    		 0 C8 H15 N S InChI=1S/C8H15NS/c1-10-8-
    6-9-4-2-7(8)3-5-9/h7-8H,2
    -6H2,1H3/t8-/m1/s1;
    VJFXSWNDOLSMOC-MRVPVSSYSA-N    		 CS[CH]1CN2CCC1CC2; S(C2C1CCN(CC1)C2)C; C
    S[C@@H]1CN2CCC1CC2; CSC1CN2CCC1CC2    		 (3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane
    28552 MHU
    ZINC000013346578    		 0 C12 H18 N2 O2 InChI=1S/C12H18N2O2/c1-13
    -11(12(15)16)8-9-4-6-10(7
    -5-9)14(2)3/h4-7,11,13H,8
    H2,1-3H3,(H,15,16)/t11-/m
    0/s1;
    QKRKFUDFXFNQML-NSHDSACASA-N    		 CNC(Cc1ccc(cc1)N(C)C)C(=O)O; O=C(O)C(NC)
    Cc1ccc(N(C)C)cc1; CN[C@@H](Cc1ccc(cc1)N(
    C)C)C(=O)O; CN[CH](Cc1ccc(cc1)N(C)C)C(O)
    =O; CN[C@@H](Cc1ccc(cc1)N(C)C)C(O)=O    		 4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE
    28553 MHV
    ZINC000014620026    		 0 C6 H9 N O3 InChI=1S/C6H9NO3/c8-4-1-2
    -7-5(3-4)6(9)10/h5,7H,1-3
    H2,(H,9,10)/t5-/m0/s1;
    UAISREBYDOFHJY-YFKPBYRVSA-N    		 C1CNC(CC1=O)C(=O)O; OC(=O)[C@@H]1CC(=O)C
    CN1; O=C(O)C1NCCC(=O)C1; C1CN[C@@H](CC1=
    O)C(=O)O; OC(=O)[CH]1CC(=O)CCN1    		 4-OXO-L-PIPECOLIC ACID
    28554 MHW
    CHEMBL1234326
    ZINC000000157108    		 1 C6 H5 N O3 InChI=1S/C6H5NO3/c8-4-2-1
    -3-7-5(4)6(9)10/h1-3,8H,(
    H,9,10);
    BRARRAHGNDUELT-UHFFFAOYSA-N    		 c1cc(c(nc1)C(=O)O)O; O=C(O)c1ncccc1O; OC
    (=O)c1ncccc1O    		 3-HYDROXYPICOLINIC ACID
    28555 MHX 4 C8 H5 Fe2 N3 O4 S2 InChI=1S/C2H5NS2.2CN.4CO.
    2Fe/c4-1-3-2-5;6*1-2;;/h3
    H,1-2H2;;;;;;;;/q;2*-1;;;
    ;;2*+1;
    HQBPXMLEPWPPEN-UHFFFAOYSA-N    		 [Fe+]C(=O)[Fe+]1SCNCS1.[C-]#N.[C-]#N.[C-
    ]#[O+].[C-]#[O+].[C-]#[O+]; C1NC[S]2[Fe+
    ]3([S]1[Fe+]2(C3=O)([C-]#N)([C-]#[O+])[C
    -]#[O+])([C-]#N)[C-]#[O+]    		 Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, cyanide cluster (-CO form)
    28556 MHY 0 C15 H15 F2 N3 O5 InChI=1S/C15H15F2N3O5/c1-
    6(21)12(18)14-19-10(15(25
    )20(14)5-11(22)23)4-7-2-8
    (16)13(24)9(17)3-7/h2-4,6
    ,12,21,24H,5,18H2,1H3,(H,
    22,23)/b10-4-/t6-,12+/m1/
    s1;
    JOCWFVNTLFNTOQ-XMJMQUNESA-N    		 CC(C(C1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1CC
    (=O)O)N)O; C[C@H]([C@@H](C1=N/C(=C\c2cc(
    c(c(c2)F)O)F)/C(=O)N1CC(=O)O)N)O; C[C@@H
    ](O)[C@H](N)C1=N\C(=C/c2cc(F)c(O)c(F)c2)
    C(=O)N1CC(O)=O; C[CH](O)[CH](N)C1=NC(=Cc
    2cc(F)c(O)c(F)c2)C(=O)N1CC(O)=O; NC(C1=N
    /C(C(N1CC(O)=O)=O)=C\c2cc(F)c(c(c2)F)O)C
    (O)C    		 {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
    28557 MHZ 2 C14 H24 N8 O3 InChI=1S/C14H24N8O3/c1-21
    (4-2-3-20-16)5-8-10(23)11
    (24)14(25-8)22-7-19-9-12(
    15)17-6-18-13(9)22/h6-8,1
    0-11,14,20,23-24H,2-5,16H
    2,1H3,(H2,15,17,18)/t8-,1
    0-,11-,14-/m1/s1;
    MYNRDUPGBPOWQT-IDTAVKCVSA-N    		 CN(CCCNN)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O;
    CN(CCCNN)C[CH]1O[CH]([CH](O)[CH]1O)n2cn
    c3c(N)ncnc23; C[N@@](CCCNN)C[C@@H]1[C@H]
    ([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; CN(
    CCCNN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c
    nc3c(N)ncnc23; n2c1c(ncnc1n(c2)C3OC(C(O)
    C3O)CN(CCCNN)C)N    		 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE
    28558 MI0
    ZINC000034163497    		 0 C12 H22 F2 N2 O2 InChI=1S/C12H22F2N2O2/c1-
    16-11(18)12(13,14)10(17)9
    (15)7-8-5-3-2-4-6-8/h8-10
    ,17H,2-7,15H2,1H3,(H,16,1
    8)/t9-,10+/m0/s1;
    ZJXKKRMJDAUFQJ-VHSXEESVSA-N    		 CNC(=O)C(C(C(CC1CCCCC1)N)O)(F)F; CNC(=O)
    C([C@@H]([C@H](CC1CCCCC1)N)O)(F)F; O=C(N
    C)C(F)(F)C(O)C(N)CC1CCCCC1; CNC(=O)C(F)(
    F)[CH](O)[CH](N)CC1CCCCC1; CNC(=O)C(F)(F
    )[C@H](O)[C@@H](N)CC1CCCCC1    		 (3R,4S)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-methyl-pentanamide
    28559 MI1
    CHEMBL221959
    DB08895
    ZINC000003818808    		 6 C16 H20 N6 O InChI=1S/C16H20N6O/c1-11-
    5-8-22(14(23)3-6-17)9-13(
    11)21(2)16-12-4-7-18-15(1
    2)19-10-20-16/h4,7,10-11,
    13H,3,5,8-9H2,1-2H3,(H,18
    ,19,20)/t11-,13+/m1/s1;
    UJLAWZDWDVHWOW-YPMHNXCESA-N    		 C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2
    )C(=O)CC#N; C[C@@H]1CCN(C[C@@H]1N(C)c2nc
    nc3[nH]ccc23)C(=O)CC#N; CC1CCN(CC1N(C)c2
    c3cc[nH]c3ncn2)C(=O)CC#N; C[CH]1CCN(C[CH
    ]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N; N#CCC(
    =O)N3CC(N(c1ncnc2c1ccn2)C)C(C)CC3    		 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile;
    CP-690,550
    28560 MI2
    DB08184
    ZINC000024805501    		 1 C16 H15 N3 InChI=1S/C16H15N3/c1-10-4
    -2-3-5-13(10)15-9-12-8-11
    (16(17)18)6-7-14(12)19-15
    /h2-9,19H,1H3,(H3,17,18);
    YOZKTHGEOJHIDP-UHFFFAOYSA-N    		 [H]N=C(c1ccc2c(c1)cc([nH]2)c3ccccc3C)N;
    [H]/N=C(\c1ccc2c(c1)cc([nH]2)c3ccccc3C)/
    N; [N@H]=C(c1cc2c(cc1)nc(c2)c3ccccc3C)N;
    Cc1ccccc1c2[nH]c3ccc(cc3c2)C(N)=N    		 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE
    28561 MI3
    ZINC000058639094    		 2 C18 H22 N5 O15 P3 InChI=1S/C18H22N5O15P3/c1
    -19-10-5-3-2-4-9(10)18(26
    )36-14-11(6-34-40(30,31)3
    8-41(32,33)37-39(27,28)29
    )35-17(13(14)24)23-8-22-1
    2-15(23)20-7-21-16(12)25/
    h2-5,7-8,11,13-14,17,19,2
    4H,6H2,1H3,(H,30,31)(H,32
    ,33)(H,20,21,25)(H2,27,28
    ,29)/t11-,13-,14-,17-/m1/
    s1;
    YLGJGIQMPBUPHB-LSCFUAHRSA-N    		 O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1
    c2N=CNC1=O)C(O)C4OC(=O)c3ccccc3NC; CNc1c
    cccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)
    n3cnc4c3N=CNC4=O)CO[P@](=O)(O)O[P@@](=O)
    (O)OP(=O)(O)O; CNc1ccccc1C(=O)OC2C(OC(C2
    O)n3cnc4c3N=CNC4=O)COP(=O)(O)OP(=O)(O)OP
    (=O)(O)O; CNc1ccccc1C(=O)O[C@H]2[C@@H](O
    )[C@@H](O[C@@H]2CO[P@@](O)(=O)O[P@](O)(=
    O)O[P](O)(O)=O)n3cnc4C(=O)NC=Nc34; CNc1c
    cccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](
    O)(=O)O[P](O)(=O)O[P](O)(O)=O)n3cnc4C(=O
    )NC=Nc34    		 3'-O-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate)
    28562 MI4 1 C36 H54 O3 InChI=1S/C36H54O3/c1-23(6
    -4-8-30(37)22-36-19-26-14
    -27(20-36)16-28(15-26)21-
    36)31-11-12-32-29(7-5-13-
    35(31,32)3)10-9-25-17-33(
    38)24(2)34(39)18-25/h4,6,
    9-10,23,26-28,30-34,37-39
    H,2,5,7-8,11-22H2,1,3H3/b
    6-4+,29-10+/t23-,26-,27+,
    28-,30+,31+,32-,33+,34+,3
    5+,36-/m0/s1;
    GRHLVEDNKGFBSH-QTTWWCOESA-N    		 C[C@@H](\C=C\C[C@H](CC12CC3CC(C1)CC(C3)C
    2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6
    C[C@H](C(=C)[C@@H](C6)O)O)C; C[C@@H](/C=
    C/C[C@@H](O)CC12CC3CC(CC(C3)C1)C2)[C@H]4
    CC[C@H]5\C(CCC[C@]45C)=C\C=C6/C[C@@H](O)
    C(=C)[C@H](O)C6; OC6\C(=C)C(O)CC(=C\C=C2
    \C1CCC(C1(C)CCC2)C(/C=C/CC(O)CC34CC5CC(C
    3)CC(C4)C5)C)\C6; CC(C=CCC(CC12CC3CC(C1)
    CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(C(=C)C
    (C6)O)O)C; C[CH](C=CC[CH](O)CC12CC3CC(CC
    (C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45C)=CC=C6
    C[CH](O)C(=C)[CH](O)C6    		 (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
    28563 MI5
    ZINC000034892297    		 1 C19 H22 N8 S InChI=1S/C19H22N8S/c1-12-
    6-18(28-25-12)24-17-7-16(
    13-4-3-5-20-8-13)23-19-15
    (10-22-27(17)19)14-9-21-2
    6(2)11-14/h6-7,9-11,13,20
    ,24H,3-5,8H2,1-2H3/t13-/m
    1/s1;
    GZPYWHILDNLCNY-CYBMUJFWSA-N    		 Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)[C@@
    H]5CCCNC5; Cn1cc(cn1)c2cnn3c(Nc4snc(C)c4
    )cc(nc23)[CH]5CCCNC5; n5sc(Nc2n4ncc(c1cn
    (nc1)C)c4nc(c2)C3CCCNC3)cc5C; Cc1cc(sn1)
    Nc2cc(nc3n2ncc3c4cnn(c4)C)C5CCCNC5; Cn1c
    c(cn1)c2cnn3c(Nc4snc(C)c4)cc(nc23)[C@@H]
    5CCCNC5    		 N-(3-methylisothiazol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
    28564 MI6
    CHEMBL1234332
    ZINC000058638944    		 3 C29 H35 Cl2 F N4 O3 InChI=1S/C29H35Cl2FN4O3/c
    1-28(2,3)16-22-29(19-8-7-
    17(30)15-21(19)34-27(29)3
    8)23(18-5-4-6-20(31)24(18
    )32)25(35-22)26(37)33-9-1
    0-36-11-13-39-14-12-36/h4
    -8,15,22-23,25,35H,9-14,1
    6H2,1-3H3,(H,33,37)(H,34,
    38)/t22-,23-,25-,29-/m1/s
    1;
    YTBYOWZWBDYLQF-BYHVZLFPSA-N    		 CC(C)(C)C[C@H]1N[C@H]([C@@H](c2cccc(Cl)c
    2F)[C@]13C(=O)Nc4cc(Cl)ccc34)C(=O)NCCN5C
    COCC5; CC(C)(C)CC1C2(c3ccc(cc3NC2=O)Cl)C
    (C(N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl; CC
    (C)(C)C[CH]1N[CH]([CH](c2cccc(Cl)c2F)[C]
    13C(=O)Nc4cc(Cl)ccc34)C(=O)NCCN5CCOCC5;
    CC(C)(C)C[C@@H]1[C@]2(c3ccc(cc3NC2=O)Cl)
    [C@@H]([C@@H](N1)C(=O)NCCN4CCOCC4)c5cccc
    (c5F)Cl    		 (2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
    28565 MI8 1 C29 H48 N2 O5 InChI=1S/C29H48N2O5/c1-7-
    9-27-22(5)26(33)18-28(36-
    27)25(31)11-8-10-19(2)14-
    21(4)15-20(3)12-13-24(32)
    16-23(30)17-29(34)35-6/h7
    -13,15,21-28,32-33H,14,16
    -18,30-31H2,1-6H3/b9-7+,1
    1-8+,13-12+,19-10+,20-15-
    /t21-,22+,23+,24+,25-,26-
    ,27+,28+/m1/s1;
    PLLUXUKFSITXBR-HOMQWXGGSA-N    		 COC(=O)C[C@@H](N)C[C@@H](O)/C=C/C(C)=C\[
    C@H](C)C/C(C)=C/C=C/[C@@H](N)[C@@H]1C[C@
    @H](O)[C@H](C)[C@@H](O1)\C=C\C; CC=CC1C(
    C(CC(O1)C(C=CC=C(C)CC(C)C=C(C)C=CC(CC(CC
    (=O)OC)N)O)N)O)C; C/C=C/[C@H]1[C@H]([C@@
    H](C[C@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H]
    (C)/C=C(/C)\C=C\[C@@H](C[C@@H](CC(=O)OC)
    N)O)N)O)C; COC(=O)C[CH](N)C[CH](O)C=CC(C
    )=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)
    [CH](C)[CH](O1)C=CC    		 methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{R})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate
    28566 MI9 12 C34 H36 Mo N4 O5 InChI=1S/C34H38N4O4.Mo.O/
    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)4
    2)20(6)28(38-32)15-30-22(
    8-2)18(4)27(36-30)14-29(2
    1)35-25;;/h13-16H,7-12H2,
    1-6H3,(H4,35,36,37,38,39,
    40,41,42);;/q;+2;/p-2/b25
    -13-,26-13-,27-14-,28-15-
    ,29-14-,30-15-,31-16-,32-
    16-;;;
    BVPDTXBFNWLJAZ-HXFTUNQESA-L    		 CCC1=C(C)C2=NC1=Cc3n4c(C=C5N=C(C=C6[N](C
    (=C2)C(=C6CCC(O)=O)C)[Mo]4=O)C(=C5C)CCC(
    O)=O)c(CC)c3C; CCC1=C(C)C2=NC1=Cc3n4c(C=
    C5N=C(C=C6[N@](C(=C2)C(=C6CCC(O)=O)C)[Mo
    ]4=O)C(=C5C)CCC(O)=O)c(CC)c3C; CCc1c(c2n
    3c1C=C4C(=C(C5=[N]4[Mo]36(=O)[N]7=C(C=C8
    N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)
    CCC(=O)O)C)C    		 Oxomolybdenum Mesoporphyrin IX
    28567 MIA
    ZINC000096095240    		 0 C16 H24 N5 O7 P S InChI=1S/C16H24N5O7PS/c1-
    8(2)4-5-17-13-10-14(20-16
    (19-13)30-3)21(7-18-10)15
    -12(23)11(22)9(28-15)6-27
    -29(24,25)26/h4,7,9,11-12
    ,15,22-23H,5-6H2,1-3H3,(H
    ,17,19,20)(H2,24,25,26)/t
    9-,11-,12-,15-/m1/s1;
    XBXAAXAANNIENQ-SDBHATRESA-N    		 CC(=CCNc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]
    ([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C; CC(=
    CCNc1c2c(nc(n1)SC)n(cn2)C3C(C(C(O3)COP(=
    O)(O)O)O)O)C; OP(=O)(O)OCC1OC(C(C1O)O)n2
    cnc3c(NC\C=C(\C)C)nc(nc23)SC; CSc1nc(NCC
    =C(C)C)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]3O)c2n1; CSc1nc(NCC=C(C)C)c2ncn
    ([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C
    @H]3O)c2n1    		 2-METHYLTHIO-N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE
    28568 MIB
    DB08186
    ZINC000012379249    		 1 C13 H13 N O InChI=1S/C13H13NO/c1-10(1
    5)7-8-11-9-14(2)13-6-4-3-
    5-12(11)13/h3-9H,1-2H3/b8
    -7+;
    HCYQBFAGILCNRB-BQYQJAHWSA-N    		 O=C(\C=C\c2c1ccccc1n(c2)C)C; CC(=O)\C=C\
    c1cn(c2c1cccc2)C; Cn1cc(C=CC(C)=O)c2cccc
    c12; CC(=O)C=Cc1cn(c2c1cccc2)C; Cn1cc(/C
    =C/C(C)=O)c2ccccc12    		 (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE
    28569 MIC
    DB04072
    ZINC000000902108    		 2 C7 H10 O7 InChI=1S/C7H10O7/c1-7(14,
    6(12)13)3(5(10)11)2-4(8)9
    /h3,14H,2H2,1H3,(H,8,9)(H
    ,10,11)(H,12,13)/t3-,7-/m
    1/s1;
    HHKPKXCSHMJWCF-WVBDSBKLSA-N    		 O=C(O)C(O)(C)C(C(=O)O)CC(=O)O; CC(C(CC(=
    O)O)C(=O)O)(C(=O)O)O; C[C@@](O)([C@H](CC
    (O)=O)C(O)=O)C(O)=O; C[C](O)([CH](CC(O)=
    O)C(O)=O)C(O)=O; C[C@@]([C@H](CC(=O)O)C(
    =O)O)(C(=O)O)O    		 ALPHA-METHYLISOCITRIC ACID
    28570 MID
    CHEMBL51173
    ZINC000003807246    		 3 C27 H31 N5 O4 S InChI=1S/C27H31N5O4S/c28-
    26(29)21-10-8-19(9-11-21)
    16-24(27(34)32-14-4-1-5-1
    5-32)31-25(33)18-30-37(35
    ,36)23-13-12-20-6-2-3-7-2
    2(20)17-23/h2-3,6-13,17,2
    4,30H,1,4-5,14-16,18H2,(H
    3,28,29)(H,31,33)/t24-/m1
    /s1;
    XXTWZTPVNIYSJZ-XMMPIXPASA-N    		 [H]/N=C(/c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)
    NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)\N; O=C(
    N1CCCCC1)C(NC(=O)CNS(=O)(=O)c3cc2ccccc2c
    c3)Cc4ccc(C(=[N@H])N)cc4; [H]N=C(c1ccc(c
    c1)CC(C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3c
    cc4ccccc4c3)N; NC(=N)c1ccc(C[CH](NC(=O)C
    N[S](=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCCCC4
    )cc1; NC(=N)c1ccc(C[C@@H](NC(=O)CN[S](=O
    )(=O)c2ccc3ccccc3c2)C(=O)N4CCCCC4)cc1    		 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine;
    NAPAP
    28571 MIE
    CHEMBL170721
    DB03587
    ZINC000001532681    		 3 C3 H4 O2 InChI=1S/C3H4O2/c1-3(5)2-
    4/h2H,1H3;
    AIJULSRZWUXGPQ-UHFFFAOYSA-N    		 O=CC(C)=O; CC(=O)C=O methylglyoxal
    28572 MIF
    CHEMBL3310890
    ZINC000098209179    		 1 C8 H12 N2 O6 S InChI=1S/C8H12N2O6S/c9-7-
    10-6(15)8(17-7)5(14)4(13)
    3(12)2(1-11)16-8/h2-5,11-
    14H,1H2,(H2,9,10,15)/t2-,
    3-,4+,5-,8-/m1/s1;
    UADFNVXVJZELQM-UXDJRKLDSA-N    		 OC[CH]1O[C]2(SC(=N)NC2=O)[CH](O)[CH](O)[
    CH]1O; OC[C@H]1O[C@@]2(SC(=N)NC2=O)[C@H]
    (O)[C@@H](O)[C@@H]1O; O=C2NC(=[N@H])SC21
    OC(C(O)C(O)C1O)CO; C([C@@H]1[C@H]([C@@H]
    ([C@H]([C@]2(O1)C(=O)NC(=N)S2)O)O)O)O; C
    (C1C(C(C(C2(O1)C(=O)NC(=N)S2)O)O)O)O    		 (5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one
    28573 MIG
    CHEMBL1561
    DB00491
    ZINC000004097426    		 6 C8 H17 N O5 InChI=1S/C8H17NO5/c10-2-1
    -9-3-6(12)8(14)7(13)5(9)4
    -11/h5-8,10-14H,1-4H2/t5-
    ,6+,7-,8-/m1/s1;
    IBAQFPQHRJAVAV-ULAWRXDQSA-N    		 C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO
    )O)O)O; C1C(C(C(C(N1CCO)CO)O)O)O; OCCN1C
    [CH](O)[CH](O)[CH](O)[CH]1CO; OCCN1C[C@H
    ](O)[C@@H](O)[C@H](O)[C@H]1CO    		 (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;
    Miglitol
    28574 MIH
    CHEMBL1738839
    ZINC000043193740    		 1 C25 H19 Cl2 F2 N3 O InChI=1S/C25H19Cl2F2N3O/c
    26-19-2-1-3-20(27)23(19)2
    5-24-17(8-11-32(25)33)18(
    16-5-4-15(28)12-21(16)29)
    13-22(31-24)14-6-9-30-10-
    7-14/h1-5,8,11-14,30H,6-7
    ,9-10H2;
    WLMGLORLNFEUDG-UHFFFAOYSA-N    		 [O-][n+]1ccc2c(cc(nc2c1c3c(Cl)cccc3Cl)C4
    CCNCC4)c5ccc(F)cc5F; Fc1ccc(c(F)c1)c2cc(
    nc3c2cc[n+]([O-])c3c4c(Cl)cccc4Cl)C5CCNC
    C5; c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(c
    c(n3)C4CCNCC4)c5ccc(cc5F)F)Cl    		 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide
    28575 MII
    CHEMBL575
    DB01603
    ZINC000003831070    		 2 C17 H20 N2 O6 S InChI=1S/C17H20N2O6S/c1-1
    7(2)12(16(22)23)19-14(21)
    11(15(19)26-17)18-13(20)1
    0-8(24-3)6-5-7-9(10)25-4/
    h5-7,11-12,15H,1-4H3,(H,1
    8,20)(H,22,23)/t11-,12+,1
    5-/m1/s1;
    RJQXTJLFIWVMTO-TYNCELHUSA-N    		 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)
    c3c(cccc3OC)OC)C(=O)O)C; COc1cccc(OC)c1C
    (=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C
    (O)=O; COc1cccc(OC)c1C(=O)N[CH]2[CH]3SC(
    C)(C)[CH](N3C2=O)C(O)=O; CC1(C(N2C(S1)C(
    C2=O)NC(=O)c3c(cccc3OC)OC)C(=O)O)C    		 methicillin
    28576 MIJ 1 C28 H35 N5 O6 InChI=1S/C28H35N5O6/c1-29
    -27(38)24(35)21(16-19-11-
    12-30-25(19)36)32-26(37)2
    2(14-18-9-10-18)33-13-5-8
    -20(28(33)39)31-23(34)15-
    17-6-3-2-4-7-17/h2-8,13,1
    8-19,21-22,24,35H,9-12,14
    -16H2,1H3,(H,29,38)(H,30,
    36)(H,31,34)(H,32,37)/t19
    -,21-,22-,24+/m0/s1;
    QZDBNMWKNRLEHS-NRTAZHGZSA-N    		 CNC(=O)C(C(CC1CCNC1=O)NC(=O)C(CC2CC2)N3C
    =CC=C(C3=O)NC(=O)Cc4ccccc4)O; CNC(=O)[C@
    H](O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](C
    C2CC2)N3C=CC=C(NC(=O)Cc4ccccc4)C3=O; CNC
    (=O)[C@@H]([C@H](C[C@@H]1CCNC1=O)NC(=O)[
    C@H](CC2CC2)N3C=CC=C(C3=O)NC(=O)Cc4ccccc
    4)O; CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC
    (=O)[CH](CC2CC2)N3C=CC=C(NC(=O)Cc4ccccc4
    )C3=O    		 (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide
    28577 MIK
    ZINC000006393769    		 0 C12 H18 N4 O2 InChI=1S/C12H18N4O2/c13-1
    0(12(17)18)3-1-2-6-16-11(
    14)9-4-7-15-8-5-9/h4-5,7-
    8,10H,1-3,6,13H2,(H2,14,1
    6)(H,17,18)/t10-/m0/s1;
    PJJTVLHYIWKZDX-JTQLQIEISA-N    		 c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N; O=
    C(O)C(N)CCCC/N=C(/c1ccncc1)N; N[CH](CCCC
    N=C(N)c1ccncc1)C(O)=O; N[C@@H](CCCCN=C(N
    )c1ccncc1)C(O)=O; c1cnccc1C(=NCCCCC(C(=O
    )O)N)N    		 METHYL ISONICOTINIMIDATE LYSINE
    28578 MIL
    CHEMBL189
    DB00235
    ZINC000009224016    		 2 C12 H9 N3 O InChI=1S/C12H9N3O/c1-8-11
    (9-2-4-14-5-3-9)6-10(7-13
    )12(16)15-8/h2-6H,1H3,(H,
    15,16);
    PZRHRDRVRGEVNW-UHFFFAOYSA-N    		 CC1=C(C=C(C(=O)N1)C#N)c2ccncc2; CC1=C(C=
    C(C#N)C(=O)N1)c2ccncc2; N#CC1=CC(=C(NC1=
    O)C)c2ccncc2    		 MILRINONE
    28579 MIM
    CHEMBL6269
    DB02477
    ZINC000014880363    		 3 C33 H52 N6 O4 InChI=1S/C33H52N6O4/c1-25
    -35-20-22-39(25)21-8-6-11
    -27-13-15-28(16-14-27)23-
    31(41)37-30(24-40)33(43)3
    8-29(12-5-7-18-34)32(42)3
    6-19-17-26-9-3-2-4-10-26/
    h13-16,20,22,26,29-30,40H
    ,2-12,17-19,21,23-24,34H2
    ,1H3,(H,36,42)(H,37,41)(H
    ,38,43)/t29-,30-/m0/s1;
    WHLPIOSHBKQGHA-KYJUHHDHSA-N    		 Cc1nccn1CCCCc2ccc(cc2)CC(=O)N[C@@H](CO)C
    (=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3; Cc1n
    ccn1CCCCc2ccc(CC(=O)N[C@@H](CO)C(=O)N[C@
    @H](CCCCN)C(=O)NCCC3CCCCC3)cc2; O=C(NCCC
    1CCCCC1)C(NC(=O)C(NC(=O)Cc2ccc(cc2)CCCCn
    3ccnc3C)CO)CCCCN; Cc1nccn1CCCCc2ccc(cc2)
    CC(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCCC3CCCC
    C3; Cc1nccn1CCCCc2ccc(CC(=O)N[CH](CO)C(=
    O)N[CH](CCCCN)C(=O)NCCC3CCCCC3)cc2    		 [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE
    28580 MIN
    CHEMBL125181
    DB08187
    ZINC000100036469    		 1 C22 H34 N4 O2 InChI=1S/C22H34N4O2/c1-24
    -19(14-16-6-3-2-4-7-16)22
    (28)26-13-5-8-20(26)21(27
    )25-15-17-9-11-18(23)12-1
    0-17/h2-4,6-7,17-20,24H,5
    ,8-15,23H2,1H3,(H,25,27)/
    t17-,18-,19-,20+/m1/s1;
    MDSVGJAUFNXYRR-WTGUMLROSA-N    		 CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N
    CC3CCC(CC3)N; O=C(NCC1CCC(N)CC1)C3N(C(=O
    )C(NC)Cc2ccccc2)CCC3; CN[C@H](Cc1ccccc1)
    C(=O)N2CCC[C@H]2C(=O)NC[C@@H]3CC[C@@H](N
    )CC3; CNC(Cc1ccccc1)C(=O)N2CCCC2C(=O)NCC
    3CCC(CC3)N; CN[CH](Cc1ccccc1)C(=O)N2CCC[
    CH]2C(=O)NC[CH]3CC[CH](N)CC3    		 METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE
    28581 MIO
    ZINC000001604212    		 6 C4 H6 N2 O InChI=1S/C4H6N2O/c1-3-2-4
    (5)7-6-3/h2H,5H2,1H3;
    FNXYWHTZDAVRTB-UHFFFAOYSA-N    		 Cc1cc(N)on1; Cc1cc(on1)N; n1oc(N)cc1C 3-methyl-1,2-oxazol-5-amine
    28582 MIP 0 C3 H9 O4 P InChI=1/C3H9O4P/c1-3(2)7-
    8(4,5)6/h3H,1-2H3,(H2,4,5
    ,6)/f/h4-5H;
    QPPQHRDVPBTVEV-NUMVZRSTCF    		 CC(C)OP(=O)(O)O; CC(C)O[P](O)(O)=O; O=P(
    O)(O)OC(C)C    		 MONOISOPROPYL ESTER PHOSPHONIC ACID
    28583 MIQ 4 C17 H17 N3 O5 InChI=1S/C17H17N3O5/c21-1
    4-4-3-13(15(22)18-14)20-1
    6(23)11-2-1-10(9-12(11)17
    (20)24)19-5-7-25-8-6-19/h
    1-2,9,13H,3-8H2,(H,18,21,
    22)/t13-/m0/s1;
    CCCSRHUSXCBFJZ-ZDUSSCGKSA-N    		 c1cc2c(cc1N3CCOCC3)C(=O)N(C2=O)C4CCC(=O)
    NC4=O; O=C1NC(=O)CCC1N1C(=O)c2cc(ccc2C1=
    O)N1CCOCC1; c1cc2c(cc1N3CCOCC3)C(=O)N(C2
    =O)[C@H]4CCC(=O)NC4=O; O=C1CC[CH](N2C(=O
    )c3ccc(cc3C2=O)N4CCOCC4)C(=O)N1; O=C1CC[
    C@H](N2C(=O)c3ccc(cc3C2=O)N4CCOCC4)C(=O)
    N1    		 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione
    28584 MIR 0 C5 H12 N O6 P InChI=1S/C5H12NO6P/c1-2-1
    1-13(9,10)12-3-4(6)5(7)8/
    h4H,2-3,6H2,1H3,(H,7,8)(H
    ,9,10)/t4-/m0/s1;
    ULHXUTHSGPNKSO-BYPYZUCNSA-N    		 CCO[P](O)(=O)OC[CH](N)C(O)=O; CCO[P@](=O
    )(O)OC[C@@H](C(=O)O)N; CCO[P@@](O)(=O)OC
    [C@H](N)C(O)=O; O=P(OCC)(OCC(N)C(=O)O)O;
    CCOP(=O)(O)OCC(C(=O)O)N    		 Monoethylphosphorylserine;
    O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine
    28585 MIS
    DB01805
    ZINC000006364759    		 0 C6 H14 N O6 P InChI=1S/C6H14NO6P/c1-4(2
    )13-14(10,11)12-3-5(7)6(8
    )9/h4-5H,3,7H2,1-2H3,(H,8
    ,9)(H,10,11)/t5-/m0/s1;
    DALHHSOTZKMXMV-YFKPBYRVSA-N    		 CC(C)O[P@](=O)(O)OC[C@@H](C(=O)O)N; CC(C
    )O[P](O)(=O)OC[CH](N)C(O)=O; CC(C)OP(=O)
    (O)OCC(C(=O)O)N; O=P(OCC(N)C(=O)O)(OC(C)
    C)O; CC(C)O[P@@](O)(=O)OC[C@H](N)C(O)=O    		 MONOISOPROPYLPHOSPHORYLSERINE
    28586 MIT 2 C23 H37 N6 O5 S InChI=1S/C23H36N6O5S/c1-1
    4-8-10-29(18(12-14)22(31)
    32)21(30)17(6-4-9-26-23(2
    4)25)28-35(33,34)19-7-3-5
    -16-11-15(2)13-27-20(16)1
    9/h3,5,7,14-15,17-18,27-2
    8H,4,6,8-13H2,1-2H3,(H,31
    ,32)(H4,24,25,26)/p+1/t14
    -,15-,17+,18-/m1/s1;
    KXNPVXPOPUZYGB-XYVMCAHJSA-O    		 C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](C
    CCNC(N)=[NH2+])N[S](=O)(=O)c2cccc3C[C@@H
    ](C)CNc23; CC1CCN(C(C1)C(=O)O)C(=O)C(CCC
    NC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NCC(C3)C
    ; O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3
    cccc2c3NCC(C)C2)CCCNC(=[NH2+])\N; C[C@@H
    ]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=
    [NH2+])N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)
    C; C[CH]1CCN([CH](C1)C(O)=O)C(=O)[CH](CC
    CNC(N)=[NH2+])N[S](=O)(=O)c2cccc3C[CH](C
    )CNc23    		 amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium;
    R-argatroban;
    MQPA;
    MD-805;
    MITSUBISHI INHIBITOR
    28587 MIU
    CHEMBL387841
    ZINC000016051611    		 1 C20 H32 F3 N7 O3 S InChI=1S/C20H32F3N7O3S/c2
    1-20(22,23)15-4-1-5-16(14
    -15)34(32,33)28-17(6-2-8-
    27-19(25)26)18(31)30-12-1
    0-29(11-13-30)9-3-7-24/h1
    ,4-5,14,17,28H,2-3,6-13,2
    4H2,(H4,25,26,27)/t17-/m0
    /s1;
    KGJKWHCPJPBEJP-KRWDZBQOSA-N    		 FC(F)(F)c1cc(ccc1)S(=O)(=O)NC(C(=O)N2CCN
    (CCCN)CC2)CCC/N=C(\\N)N; c1cc(cc(c1)S(=O
    )(=O)NC(CCCN=C(N)N)C(=O)N2CCN(CC2)CCCN)C
    (F)(F)F; c1cc(cc(c1)S(=O)(=O)N[C@@H](CCC
    N=C(N)N)C(=O)N2CCN(CC2)CCCN)C(F)(F)F; NC
    CCN1CCN(CC1)C(=O)[CH](CCCN=C(N)N)N[S](=O
    )(=O)c2cccc(c2)C(F)(F)F; NCCCN1CCN(CC1)C
    (=O)[C@H](CCCN=C(N)N)N[S](=O)(=O)c2cccc(
    c2)C(F)(F)F    		 N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE;
    L-ARGININE TEMPLATE INHIBITOR CS107
    28588 MIV
    ZINC000087528531    		 10 C37 H61 N O11 InChI=1S/C37H61NO11/c1-11
    -29-26(20-45-37-35(44-10)
    34(43-9)31(41)25(6)47-37)
    14-12-13-15-28(39)22(3)18
    -23(4)33(21(2)16-17-30(40
    )48-29)49-36-32(42)27(38(
    7)8)19-24(5)46-36/h12-17,
    21-27,29,31-37,41-42H,11,
    18-20H2,1-10H3/b14-12+,15
    -13+,17-16+/t21-,22+,23-,
    24+,25+,26+,27-,29+,31+,3
    2+,33+,34+,35+,36-,37+/m0
    /s1;
    DBTIHDIIXPQOFR-JMHKOBKLSA-N    		 CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[CH](
    C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O
    )C=CC=C[CH]1CO[CH]3O[CH](C)[CH](O)[CH](O
    C)[CH]3OC; CC[C@H]1OC(=O)\C=C\[C@H](C)[C
    @@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(
    C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\C=C\[C@
    @H]1CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC
    )[C@H]3OC; CCC1C(C=CC=CC(=O)C(CC(C(C(C=C
    C(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)COC
    3C(C(C(C(O3)C)O)OC)OC; CC[C@@H]1[C@H](\C
    =C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](
    \C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H
    ](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]
    ([C@@H]([C@H](O3)C)O)OC)OC    		 MYCINAMICIN IV
    28589 MIW 1 C33 H38 F2 N5 O7 P S2 InChI=1S/C33H38F2N5O7PS2/
    c1-32(2,3)28(37-29(42)26-
    16-19-15-20(8-10-24(19)50
    -26)33(34,35)48(45,46)47)
    31(44)40-13-6-7-23(40)30(
    43)39(14-12-27(41)38(4)5)
    21-9-11-25-22(17-21)36-18
    -49-25/h8-11,15-18,23,28H
    ,6-7,12-14H2,1-5H3,(H,37,
    42)(H2,45,46,47)/t23-,28+
    /m0/s1;
    GKPJRLZYUBSWJX-NEKDWFFYSA-N    		 CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC
    C(=O)N(C)C)c2ccc3c(c2)ncs3)NC(=O)c4cc5cc
    (ccc5s4)C(F)(F)P(=O)(O)O; CN(C)C(=O)CCN(
    C(=O)[CH]1CCCN1C(=O)[CH](NC(=O)c2sc3ccc(
    cc3c2)C(F)(F)[P](O)(O)=O)C(C)(C)C)c4ccc5
    scnc5c4; CC(C)(C)C(C(=O)N1CCCC1C(=O)N(CC
    C(=O)N(C)C)c2ccc3c(c2)ncs3)NC(=O)c4cc5cc
    (ccc5s4)C(F)(F)P(=O)(O)O; CN(C)C(=O)CCN(
    C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c2sc3
    ccc(cc3c2)C(F)(F)[P](O)(O)=O)C(C)(C)C)c4
    ccc5scnc5c4; CN(C)C(=O)CCN(c1ccc2scnc2c1
    )C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1
    )C(F)(F)P(=O)(O)O)C(C)(C)C    		 N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide
    28590 MIX
    CHEMBL58
    DB01204
    ZINC000003794794    		 14 C22 H28 N4 O6 InChI=1S/C22H28N4O6/c27-1
    1-9-23-5-7-25-13-1-2-14(2
    6-8-6-24-10-12-28)18-17(1
    3)21(31)19-15(29)3-4-16(3
    0)20(19)22(18)32/h1-4,23-
    30H,5-12H2;
    KKZJGLLVHKMTCM-UHFFFAOYSA-N    		 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)
    c3C(=O)c12; O=C2c1c(c(NCCNCCO)ccc1NCCNCC
    O)C(=O)c3c2c(O)ccc3O; c1cc(c2c(c1NCCNCCO
    )C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO    		 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE;
    MITOXANTRONE;
    1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRA-9,10-QUINONE
    28591 MIY
    CHEMBL1434
    DB01017
    ZINC000014879992    		 33 C23 H27 N3 O7 InChI=1S/C23H27N3O7/c1-25
    (2)12-5-6-13(27)15-10(12)
    7-9-8-11-17(26(3)4)19(29)
    16(22(24)32)21(31)23(11,3
    3)20(30)14(9)18(15)28/h5-
    6,9,11,17,27,29-30,33H,7-
    8H2,1-4H3,(H2,24,32)/t9-,
    11-,17-,23-/m0/s1;
    DYKFCLLONBREIL-KVUCHLLUSA-N    		 CN(C)c1ccc(c2c1CC3CC4C(C(=C(C(=O)C4(C(=C
    3C2=O)O)O)C(=O)N)O)N(C)C)O; CN(C)[CH]1[C
    H]2C[CH]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C]2(O
    )C(=O)C(=C1O)C(N)=O)N(C)C; O=C(N)C1=C(O)
    C(N(C)C)C2CC4C(=C(O)C2(O)C1=O)C(=O)c3c(c
    (ccc3O)N(C)C)C4; CN(C)c1ccc(c2c1C[C@H]3C
    [C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O
    )O)C(=O)N)O)N(C)C)O; CN(C)[C@H]1[C@@H]2C
    [C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)
    C(=O)C(=C1O)C(N)=O)N(C)C    		 (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE;
    MINOCYCLINE
    28592 MIZ
    CHEMBL1234341
    ZINC000006187776    		 1 C13 H18 N3 InChI=1S/C13H18N3/c1-10-6
    -11(2)16(12(3)7-10)5-4-13
    -8-14-9-15-13/h6-9H,4-5H2
    ,1-3H3,(H,14,15)/q+1;
    OTRDYFGWTSDQPE-UHFFFAOYSA-N    		 Cc1cc([n+](c(c1)C)CCc2c[nH]cn2)C; Cc1cc(
    C)[n+](CCc2c[nH]cn2)c(C)c1; n1c(cnc1)CC[
    n+]2c(cc(cc2C)C)C    		 1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium
    28593 MJ0 2 C29 H37 N5 O6 InChI=1S/C29H37N5O6/c1-30
    -28(39)25(36)22(17-20-13-
    14-31-26(20)37)33-27(38)2
    3(16-19-9-10-19)34-15-5-8
    -21(29(34)40)32-24(35)12-
    11-18-6-3-2-4-7-18/h2-8,1
    5,19-20,22-23,25,36H,9-14
    ,16-17H2,1H3,(H,30,39)(H,
    31,37)(H,32,35)(H,33,38)/
    t20-,22-,23-,25+/m0/s1;
    ZZWBXRBGXJAYNA-ALJFMCDRSA-N    		 CNC(=O)[C@H](O)[C@H](C[C@@H]1CCNC1=O)NC(
    =O)[C@H](CC2CC2)N3C=CC=C(NC(=O)CCc4ccccc
    4)C3=O; CNC(=O)[C@@H]([C@H](C[C@@H]1CCNC
    1=O)NC(=O)[C@H](CC2CC2)N3C=CC=C(C3=O)NC(
    =O)CCc4ccccc4)O; CNC(=O)C(C(CC1CCNC1=O)N
    C(=O)C(CC2CC2)N3C=CC=C(C3=O)NC(=O)CCc4cc
    ccc4)O; CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O
    )NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)CCc4cc
    ccc4)C3=O    		 (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide;
    (S)-3-((S)-3-cyclopropyl-2-(2-oxo-3-(3-phenylpropanamido)pyridin-1(2H)-yl)propanamido)-N-methyl-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide;
    RK-90 inhibitor (covalently bound to protein)
    28594 MJ1 0 C15 H15 F2 N3 O5 InChI=1S/C15H15F2N3O5/c1-
    6(21)13(18)14-19-8(15(25)
    20(14)5-10(23)24)4-7-2-3-
    9(22)12(17)11(7)16/h2-4,6
    ,13,21-22H,5,18H2,1H3,(H,
    23,24)/b8-4-/t6-,13+/m1/s
    1;
    LFWWOBUEEPZQHA-IVTRNPMTSA-N    		 C[C@@H](O)[C@H](N)C1=NC(=C\c2ccc(O)c(F)c
    2F)/C(=O)N1CC(O)=O; C1(=NC(C(N1CC(O)=O)=
    O)=[C@H]c2c(c(F)c(cc2)O)F)C(C(O)C)N; CC(
    C(C1=NC(=Cc2ccc(c(c2F)F)O)C(=O)N1CC(=O)O
    )N)O; C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)c(F
    )c2F)C(=O)N1CC(O)=O; C[C@H]([C@@H](C1=N/
    C(=C\c2ccc(c(c2F)F)O)/C(=O)N1CC(=O)O)N)O    		 {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
    28595 MJ2
    ZINC000037466972    		 1 C8 H11 N O2 S InChI=1S/C8H11NO2S/c1-6-3
    -7(2)5-8(4-6)12(9,10)11/h
    3-5H,1-2H3,(H2,9,10,11);
    BRPHYVPAIXLWED-UHFFFAOYSA-N    		 Cc1cc(cc(c1)S(=O)(=O)N)C; Cc1cc(C)cc(c1)
    [S](N)(=O)=O    		 3,5-dimethylbenzenesulfonamide
    28596 MJ3
    ZINC000095628035    		 4 C19 H28 N4 O18 P2 InChI=1S/C19H28N4O18P2/c1
    -6(24)20-10-11(21-7(2)25)
    18(39-15(13(10)28)17(30)3
    1)40-43(35,36)41-42(33,34
    )37-5-8-12(27)14(29)16(38
    -8)23-4-3-9(26)22-19(23)3
    2/h3-4,8,10-16,18,27-29H,
    5H2,1-2H3,(H,20,24)(H,21,
    25)(H,30,31)(H,33,34)(H,3
    5,36)(H,22,26,32)/t8-,10-
    ,11+,12-,13+,14-,15+,16-,
    18-/m1/s1;
    GZLIMKLKXDFTJR-ZVWGYSLJSA-N    		 CC(=O)N[CH]1[CH](O)[CH](O[CH](O[P](O)(=O
    )O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N
    3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(O)=O; O=C1
    C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2
    OC(C(O)C(NC(C)=O)C2NC(C)=O)C(=O)O)C(O)C1
    O; CC(=O)N[C@@H]1[C@@H]([C@H](O[C@@H]([C
    @H]1O)C(=O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2
    [C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)
    O)NC(=O)C; CC(=O)NC1C(C(OC(C1O)C(=O)O)OP
    (=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)N
    C3=O)O)O)NC(=O)C; CC(=O)N[C@H]1[C@H](O)[
    C@H](O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H
    ]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=
    O)[C@H]1NC(C)=O)C(O)=O    		 (2~{S},3~{S},4~{R},5~{S},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid;
    UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronic acid
    28597 MJ4
    ZINC000000360078    		 2 C9 H15 N O S InChI=1S/C9H15NOS/c1-7(11
    )5-10-6-9-4-3-8(2)12-9/h3
    -4,7,10-11H,5-6H2,1-2H3/t
    7-/m1/s1;
    JLVFMHMDKADIAM-SSDOTTSWSA-N    		 N(CC(C)O)Cc1ccc(s1)C; C[CH](O)CNCc1sc(C)
    cc1; Cc1ccc(s1)CNCC(C)O; C[C@@H](O)CNCc1
    sc(C)cc1; Cc1ccc(s1)CNC[C@@H](C)O    		 (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
    28598 MJ5
    CHEMBL148755
    ZINC000013559002    		 8 C13 H12 O2 InChI=1S/C13H12O2/c1-10-7
    -8-13(12(14)9-10)15-11-5-
    3-2-4-6-11/h2-9,14H,1H3;
    HUPPMDCSGSHZHI-UHFFFAOYSA-N    		 O(c1ccccc1)c2ccc(cc2O)C; Cc1ccc(Oc2ccccc
    2)c(O)c1; Cc1ccc(c(c1)O)Oc2ccccc2    		 5-methyl-2-phenoxyphenol
    28599 MJ6 1 C32 H38 Br F2 N4 O7 P S InChI=1S/C32H38BrF2N4O7PS
    /c1-31(2,3)27(36-28(41)25
    -18-19-17-20(8-13-24(19)4
    8-25)32(34,35)47(44,45)46
    )30(43)39-15-6-7-23(39)29
    (42)38(16-14-26(40)37(4)5
    )22-11-9-21(33)10-12-22/h
    8-13,17-18,23,27H,6-7,14-
    16H2,1-5H3,(H,36,41)(H2,4
    4,45,46)/t23-,27+/m0/s1;
    QHZWEMYLRQTCHK-WNCULLNHSA-N    		 CC(C)(C)C(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)
    C)c2ccc(cc2)Br)NC(=O)c3cc4cc(ccc4s3)C(F)
    (F)P(=O)(O)O; CN(C)C(=O)CCN(c1ccc(Br)cc1
    )C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1
    )C(F)(F)P(=O)(O)O)C(C)(C)C; CN(C)C(=O)CC
    N(C(=O)[CH]1CCCN1C(=O)[CH](NC(=O)c2sc3cc
    c(cc3c2)C(F)(F)[P](O)(O)=O)C(C)(C)C)c4cc
    c(Br)cc4; CC(C)(C)[C@@H](C(=O)N1CCC[C@H]
    1C(=O)N(CCC(=O)N(C)C)c2ccc(cc2)Br)NC(=O)
    c3cc4cc(ccc4s3)C(F)(F)P(=O)(O)O; CN(C)C(
    =O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=
    O)c2sc3ccc(cc3c2)C(F)(F)[P](O)(O)=O)C(C)
    (C)C)c4ccc(Br)cc4    		 N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide
    28600 MJ7
    CHEMBL5185202    		 5 C27 H31 Cl N6 O3 S InChI=1S/C27H31ClN6O3S/c2
    8-20-8-6-18(7-9-20)19-5-3
    -4-17(12-19)13-30-10-1-2-
    11-38-14-21-23(35)24(36)2
    7(37-21)34-16-33-22-25(29
    )31-15-32-26(22)34/h3-9,1
    2,15-16,21,23-24,27,30,35
    -36H,1-2,10-11,13-14H2,(H
    2,29,31,32)/t21-,23-,24-,
    27-/m1/s1;
    UDFJXRJYAZANFF-VBHAUSMQSA-N    		 c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCCSC[C@@H]3[
    C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O;
    Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCCCNCc4cc
    cc(c4)c5ccc(Cl)cc5)[CH](O)[CH]3O; C1(OC(
    C(C1O)O)n3c2ncnc(c2nc3)N)CSCCCCNCc5cc(c4
    ccc(cc4)Cl)ccc5; Nc1ncnc2n(cnc12)[C@@H]3
    O[C@H](CSCCCCNCc4cccc(c4)c5ccc(Cl)cc5)[C
    @@H](O)[C@H]3O; c1cc(cc(c1)c2ccc(cc2)Cl)
    CNCCCCSCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O    		 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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