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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    29801 MSZ
    CHEMBL4458573
    ZINC000038846716    		 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-/m0/s1;
    DDTQLPXXNHLBAB-ZDUSSCGKSA-N    		 c1cc(cc(c1)O[C@@H](c2ccc(cc2)Cl)C(=O)O)C
    (F)(F)F; OC(=O)[CH](Oc1cccc(c1)C(F)(F)F)
    c2ccc(Cl)cc2; OC(=O)[C@@H](Oc1cccc(c1)C(
    F)(F)F)c2ccc(Cl)cc2; Clc1ccc(cc1)C(Oc2cc
    (ccc2)C(F)(F)F)C(=O)O; c1cc(cc(c1)OC(c2c
    cc(cc2)Cl)C(=O)O)C(F)(F)F    		 (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid;
    Metaglidasen (S enantiomer)
    29802 MT0
    ZINC000000254692    		 2 C9 H7 Cl N2 InChI=1S/C9H7ClN2/c1-6-7-
    4-2-3-5-8(7)9(10)12-11-6/
    h2-5H,1H3;
    IEDBAGGSOLFBBH-UHFFFAOYSA-N    		 Cc1nnc(Cl)c2ccccc12; Cc1c2ccccc2c(nn1)Cl
    ; Clc2nnc(c1c2cccc1)C    		 1-CHLORO-4-METHYLPHTHALAZINE
    29803 MT1 5 C20 H23 N8 O5 InChI=1S/C20H22N8O5/c1-28
    (9-11-8-23-17-15(24-11)16
    (21)26-20(22)27-17)12-4-2
    -10(3-5-12)18(31)25-13(19
    (32)33)6-7-14(29)30/h2-5,
    8,13H,6-7,9H2,1H3,(H,25,3
    1)(H,29,30)(H,32,33)(H4,2
    1,22,23,26,27)/p+1/t13-/m
    0/s1;
    FBOZXECLQNJBKD-ZDUSSCGKSA-O    		 CN(Cc1cnc2c(n1)c(nc([nH+]2)N)N)c3ccc(cc3
    )C(=O)NC(CCC(=O)O)C(=O)O; CN(Cc1cnc2[nH+
    ]c(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CC
    C(O)=O)C(O)=O; CN(Cc1cnc2[nH+]c(N)nc(N)c
    2n1)c3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O
    ; O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc
    2)[nH+]c(nc3N)N)CCC(=O)O; CN(Cc1cnc2c(n1
    )c(nc([nH+]2)N)N)c3ccc(cc3)C(=O)N[C@@H](
    CCC(=O)O)C(=O)O    		 N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID;
    METHOTREXATE PROTONATED AT N1
    29804 MT2 1 C7 H16 N O2 S InChI=1S/C7H15NO2S/c1-3-1
    1(2)5-4-6(8)7(9)10/h6H,3-
    5,8H2,1-2H3/p+1/t6-,11+/m
    0/s1;
    CHUUUZMZGJUUGS-UPONEAKYSA-O    		 CC[S+](C)CCC(C(=O)O)N; CC[S+](C)CC[CH](N
    )C(O)=O; CC[S@@+](C)CC[C@H](N)C(O)=O; O=
    C(O)C(N)CC[S+](C)CC; CC[S@@+](C)CC[C@@H]
    (C(=O)O)N    		 [(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium;
    S-ethyl-L-Methionine
    29805 MT3
    CHEMBL461648
    ZINC000020149020    		 2 C29 H24 F N3 O4 InChI=1S/C29H24FN3O4/c1-3
    3-28(13-18-7-5-4-6-8-18)3
    2-17-21(29(33)34)19-9-10-
    25(22(30)14-19)37-24-11-1
    2-31-23-16-27(36-3)26(35-
    2)15-20(23)24/h4-12,14-17
    H,13H2,1-3H3;
    IKPJWGNTDNCFPS-UHFFFAOYSA-N    		 Fc5c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(C3=CN=C
    (N(C3=O)C)Cc4ccccc4)c5; CN1C(=NC=C(C1=O)
    c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)Cc5
    ccccc5; COc1cc2nccc(Oc3ccc(cc3F)C4=CN=C(
    Cc5ccccc5)N(C)C4=O)c2cc1OC    		 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one
    29806 MT4
    CHEMBL461831
    ZINC000033969099    		 2 C28 H22 F2 N4 O4 InChI=1S/C28H22F2N4O4/c1-
    34-27(35)20(15-32-28(34)3
    3-18-7-5-17(29)6-8-18)16-
    4-9-24(21(30)12-16)38-23-
    10-11-31-22-14-26(37-3)25
    (36-2)13-19(22)23/h4-15H,
    1-3H3,(H,32,33);
    DUTNABYDBFVZOA-UHFFFAOYSA-N    		 Fc5c(Oc1c2cc(OC)c(OC)cc2ncc1)ccc(C4=CN=C
    (Nc3ccc(F)cc3)N(C4=O)C)c5; COc1cc2nccc(O
    c3ccc(cc3F)C4=CN=C(Nc5ccc(F)cc5)N(C)C4=O
    )c2cc1OC; CN1C(=O)C(=CN=C1Nc2ccc(cc2)F)c
    3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC    		 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one
    29807 MT5 2 C15 H30 N3 O4 InChI=1S/C15H29N3O4/c1-2-
    3-4-5-6-7-8-16-15-17-9-10
    -11(19)12(20)13(21)14(22)
    18(10)15/h10-14,19-22H,2-
    9H2,1H3,(H,16,17)/p+1/t10
    -,11-,12+,13-,14-/m1/s1;
    DGGJYTDCPYQDLL-RKQHYHRCSA-O    		 CCCCCCCC[NH+]=C1NCC2N1C(C(C(C2O)O)O)O; C
    CCCCCCC\[NH+]=C\1/NC[C@H]2N1[C@@H]([C@@H
    ]([C@H]([C@@H]2O)O)O)O; CCCCCCCC[NH+]=C1
    NC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H
    ](O)N12; CCCCCCCC[NH+]=C1NC[CH]2[CH](O)[
    CH](O)[CH](O)[CH](O)N12; OC2C1N(C(/NC1)=
    [NH+]\CCCCCCCC)C(O)C(O)C2O    		 N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM
    29808 MT6
    ZINC000263620866    		 13 C15 H11 N O4 InChI=1S/C15H11NO4/c1-19-
    15(18)10-4-2-3-9(7-10)13-
    8-11-12(20-13)5-6-16-14(1
    1)17/h2-8H,1H3,(H,16,17);
    OVTGPKXYLOQTEQ-UHFFFAOYSA-N    		 c3c(c1cc2c(o1)C=CNC2=O)cccc3C(=O)OC; COC
    (=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2; COC(=O
    )c1cccc(c1)c2cc3c(o2)C=CNC3=O    		 methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate
    29809 MT7 0 C42 H72 O36 InChI=1S/C42H72O36/c43-1-
    8-15(50)16(51)24(59)37(67
    -8)74-31-10(3-45)69-39(26
    (61)18(31)53)76-33-12(5-4
    7)71-41(28(63)20(33)55)78
    -35-14(7-49)72-42(29(64)2
    2(35)57)77-34-13(6-48)70-
    40(27(62)21(34)56)75-32-1
    1(4-46)68-38(25(60)19(32)
    54)73-30-9(2-44)66-36(65)
    23(58)17(30)52/h8-65H,1-7
    H2/t8-,9-,10-,11-,12-,13-
    ,14-,15-,16+,17-,18-,19-,
    20-,21-,22-,23-,24-,25-,2
    6-,27-,28-,29-,30-,31-,32
    -,33-,34-,35-,36-,37-,38-
    ,39-,40-,41-,42-/m1/s1;
    BNABBHGYYMZMOA-CAYDELFDSA-N    		 OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[
    CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO
    )O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]
    5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](
    O)[CH](O)[CH](O[CH]6CO)O[CH]7[CH](O)[CH]
    (O)[CH](O)O[CH]7CO)[CH](O)[CH](O)[CH]1O;
    C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[
    C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C
    @@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@
    @H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@
    H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H
    ]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]
    7[C@H](O[C@H]([C@@H]([C@H]7O)O)O)CO)CO)C
    O)CO)CO)CO)O)O)O)O; OC[C@H]1O[C@H](O[C@H
    ]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@
    H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C
    @H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[
    C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O
    [C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)
    O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7
    CO)[C@H](O)[C@@H](O)[C@@H]1O; C(C1C(C(C(
    C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4
    C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C
    6O)O)OC7C(OC(C(C7O)O)O)CO)CO)CO)CO)CO)CO
    )O)O)O)O; OC7C(O)C(O)C(OC7OC1C(O)C(O)C(O
    C1CO)OC2C(O)C(O)C(OC2CO)OC6C(OC(OC5C(OC(
    OC4C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC4CO)
    C(O)C5O)CO)C(O)C6O)CO)CO    		 alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
    29810 MT8
    ZINC000004975480    		 1 C13 H15 N O2 InChI=1S/C13H15NO2/c1-13(
    16)7-8-14-11(15)6-5-9-3-2
    -4-10(13)12(9)14/h2-4,16H
    ,5-8H2,1H3/t13-/m1/s1;
    FHMNDLFMEHZYLO-CYBMUJFWSA-N    		 C[C@]1(CCN2c3c1cccc3CCC2=O)O; C[C@@]1(O)
    CCN2C(=O)CCc3cccc1c23; O=C3N2c1c(cccc1C(
    O)(CC2)C)CC3; C[C]1(O)CCN2C(=O)CCc3cccc1
    c23; CC1(CCN2c3c1cccc3CCC2=O)O    		 (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
    29811 MT9
    CHEMBL489347
    ZINC000008436988    		 0 C25 H43 N O7 InChI=1S/C25H43NO7/c1-9-2
    0-25(6,30)11-10-19(27)14(
    2)12-15(3)22(17(5)23(29)3
    2-20)33-24-21(28)18(26(7)
    8)13-16(4)31-24/h10-11,14
    -18,20-22,24,28,30H,9,12-
    13H2,1-8H3/b11-10+/t14-,1
    5+,16-,17-,18+,20-,21-,22
    +,24+,25+/m1/s1;
    HUKYPYXOBINMND-HYUJHOPRSA-N    		 CC[C@H]1OC(=O)[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@]1(C)O; CC[CH]1OC(=O
    )[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)
    N(C)C)[CH](C)C[CH](C)C(=O)C=C[C]1(C)O; O
    =C2OC(CC)C(O)(C=CC(=O)C(C)CC(C(OC1OC(CC(
    N(C)C)C1O)C)C2C)C)C; CCC1C(C=CC(=O)C(CC(
    C(C(C(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C
    )(C)O; CC[C@@H]1[C@@](\C=C\C(=O)[C@@H](C
    [C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@
    @H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O    		 (3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside;
    methymycin
    29812 MTA
    CHEMBL277041
    DB02282
    ZINC000004228245    		 234 C11 H15 N5 O3 S InChI=1S/C11H15N5O3S/c1-2
    0-2-5-7(17)8(18)11(19-5)1
    6-4-15-6-9(12)13-3-14-10(
    6)16/h3-5,7-8,11,17-18H,2
    H2,1H3,(H2,12,13,14)/t5-,
    7-,8-,11-/m1/s1;
    WUUGFSXJNOTRMR-IOSLPCCCSA-N    		 CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O; CSC[C@
    H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncn
    c23; n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N;
    CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)n
    cnc23; CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n
    2cnc3c2ncnc3N)O)O    		 5'-DEOXY-5'-METHYLTHIOADENOSINE
    29813 MTB
    DB08216
    ZINC000038187964    		 2 C17 H18 N2 O3 InChI=1S/C17H18N2O3/c1-17
    (2,3)13-10-11(8-9-15(13)2
    0)18-19-14-7-5-4-6-12(14)
    16(21)22/h4-10,20H,1-3H3,
    (H,21,22)/b19-18+;
    RLAQYNIYEMUFPA-VHEBQXMUSA-N    		 CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(=O)O; CC
    (C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O; CC
    (C)(C)c1cc(ccc1O)N=Nc2ccccc2C(O)=O; O=C(
    O)c2ccccc2/N=N/c1ccc(O)c(c1)C(C)(C)C    		 2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
    29814 MTC 1 C18 H17 N O4 S3 InChI=1S/C18H17NO4S3/c1-2
    3-17(21)19-16-13-8-6-4-3-
    5-7-10-18(22,12-15(16)20)
    14(13)9-11-25-26-24-2/h3,
    5,9,22H,8,11-12H2,1-2H3,(
    H,19,21)/b5-3-,14-9+/t18-
    /m0/s1;
    PNQXYYVQKWQRKL-LUWMVQLVSA-N    		 COC(=O)NC1=C2CC#C\C=C/C#C[C@](O)(CC1=O)\
    C2=C\CSSSC; COC(=O)NC1=C2CC#CC=CC#C[C](O
    )(CC1=O)C2=CCSSSC; COC(=O)NC1=C\2CC#C\C=
    C/C#C[C@@](/C2=C/CSSSC)(CC1=O)O; COC(=O)
    NC1=C2CC#CC=CC#CC(C2=CCSSSC)(CC1=O)O; O=
    C(OC)NC2=C1\C(=C/CSSSC)C(C#CC=CC#CC1)(O)
    CC2=O    		 [1,8-DIHYDROXY-11-OXO-13-(2-METHYLTRITHIO-ETHYLIDENE)-BICYCLO[7.3.1]TRIDECA-4,9-DIENE-2,6-DIYN-10-YL]-CARBAMIC ACID METHYL ESTER
    29815 MTD
    DB01918    		 2 C3 H5 O2 Te InChI=1S/C3H6O2Te/c1-6-2-
    3(4)5/h2H2,1H3,(H,4,5)/p-
    1;
    OKJWQADPGUWQAJ-UHFFFAOYSA-M    		 C[Te]CC([O-])=O; [O-]C(=O)C[Te]C; C[Te]C
    C(=O)[O-]    		 [METHYLTELLURO]ACETATE
    29816 MTE 0 C10 H14 N5 O6 P S2 InChI=1S/C10H14N5O6PS2/c1
    1-10-14-7-4(8(16)15-10)12
    -3-6(24)5(23)2(21-9(3)13-
    7)1-20-22(17,18)19/h2-3,9
    ,12,23-24H,1H2,(H2,17,18,
    19)(H4,11,13,14,15,16)/t2
    -,3+,9-/m1/s1;
    HPEUEJRPDGMIMY-IFQPEPLCSA-N    		 NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(O
    )=O)C(=C3S)S)C(=O)N1; O=P(O)(O)OCC2OC3NC
    =1N=C(NC(=O)C=1NC3C(S)=C2S)N; C(C1C(=C(C
    2C(O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(
    O)O; C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C
    (N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O; NC1=NC
    2=C(N[C@@H]3[C@H](N2)O[C@H](CO[P](O)(O)=
    O)C(=C3S)S)C(=O)N1    		 PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER
    29817 MTF 0 C2 H5 N S InChI=1S/C2H5NS/c1-3-2-4/
    h2H,1H3,(H,3,4);
    YGQNFDNQDVKVAW-UHFFFAOYSA-N    		 CNC=S; S=CNC N-METHYLTHIOFORMAMIDE
    29818 MTG
    DB03517    		 10 C3 H5 O2 S InChI=1S/C3H6O2S/c1-6-2-3
    (4)5/h2H2,1H3,(H,4,5)/p-1;
    HGTBAIVLETUVCG-UHFFFAOYSA-M    		 CSCC(=O)[O-]; [O-]C(=O)CSC; CSCC([O-])=O [METHYLTHIO]ACETATE
    29819 MTH
    CHEMBL551561
    DB02933
    ZINC000005141416    		 6 C12 H16 N4 O3 S InChI=1S/C12H16N4O3S/c1-2
    0-4-7-8(17)9(18)12(19-7)1
    6-3-2-6-10(13)14-5-15-11(
    6)16/h2-3,5,7-9,12,17-18H
    ,4H2,1H3,(H2,13,14,15)/t7
    -,8-,9-,12-/m1/s1;
    WBPLMFVTQMIPLW-MFYTUXHUSA-N    		 CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2
    ncnc3N)O)O; CSC[CH]1O[CH]([CH](O)[CH]1O)
    n2ccc3c(N)ncnc23; CSC[C@H]1O[C@H]([C@H](
    O)[C@@H]1O)n2ccc3c(N)ncnc23; S(C)CC3OC(n
    2ccc1c(ncnc12)N)C(O)C3O; CSCC1C(C(C(O1)n
    2ccc3c2ncnc3N)O)O    		 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL;
    5'-DEOXY-5'-(METHYLTHIO)-TUBERCIDIN
    29820 MTI
    DB03881    		 9 C12 H17 N4 O3 S InChI=1S/C12H16N4O3S/c1-2
    0-3-6-10(17)11(18)8(16-6)
    5-2-13-9-7(5)14-4-15-12(9
    )19/h2,4,6,8,10-11,13,16-
    18H,3H2,1H3,(H,14,15,19)/
    p+1/t6-,8+,10-,11+/m1/s1;
    CEGIKIXYDFDYDN-RXDXJJGDSA-O    		 CSCC1C(C(C([NH2+]1)c2c[nH]c3c2N=CNC3=O)O
    )O; O=C1c2c(N=CN1)c(cn2)C3[NH2+]C(CSC)C(
    O)C3O; CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2
    +]1)c2c[nH]c3c2N=CNC3=O)O)O; CSC[C@H]1[N
    H2+][C@H]([C@H](O)[C@@H]1O)c2c[nH]c3C(=O
    )NC=Nc23; CSC[CH]1[NH2+][CH]([CH](O)[CH]
    1O)c2c[nH]c3C(=O)NC=Nc23    		 3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM;
    (1S)-1-(0-DEAZAHYPOXANTHIN-9-YL)-1,4-DIDEOXY-1,4-IMINO-5-METHYLTHIO-D-RIBITOL;
    MT-IMMUCILLIN-H;
    MT-IMMH
    29821 MTJ
    ZINC000002391141    		 0 C11 H15 N O3 InChI=1S/C11H15NO3/c1-12-
    10(11(13)14)7-8-3-5-9(15-
    2)6-4-8/h3-6,10,12H,7H2,1
    -2H3,(H,13,14)/t10-/m0/s1;
    QESMMBKGCOSBNL-JTQLQIEISA-N    		 CN[CH](Cc1ccc(OC)cc1)C(O)=O; CN[C@@H](Cc
    1ccc(OC)cc1)C(O)=O; O=C(O)C(NC)Cc1ccc(OC
    )cc1; CNC(Cc1ccc(cc1)OC)C(=O)O; CN[C@@H]
    (Cc1ccc(cc1)OC)C(=O)O    		 N,O-DIMETHYL-L-TYROSINE
    29822 MTK
    CHEMBL787
    DB00471
    ZINC000003831151    		 1 C35 H36 Cl N O3 S InChI=1S/C35H36ClNO3S/c1-
    34(2,40)30-9-4-3-7-25(30)
    13-17-32(41-23-35(18-19-3
    5)22-33(38)39)27-8-5-6-24
    (20-27)10-15-29-16-12-26-
    11-14-28(36)21-31(26)37-2
    9/h3-12,14-16,20-21,32,40
    H,13,17-19,22-23H2,1-2H3,
    (H,38,39)/b15-10+/t32-/m1
    /s1;
    UCHDWCPVSPXUMX-TZIWLTJVSA-N    		 CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC2)CC(O)=
    O)c3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3; CC(
    C)(c1ccccc1CCC(c2cccc(c2)C=Cc3ccc4ccc(cc
    4n3)Cl)SCC5(CC5)CC(=O)O)O; CC(C)(c1ccccc
    1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)
    Cl)SCC5(CC5)CC(=O)O)O; CC(C)(O)c1ccccc1C
    C[CH](SCC2(CC2)CC(O)=O)c3cccc(C=Cc4ccc5c
    cc(Cl)cc5n4)c3    		 MONTELUKAST;
    2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl] cyclopropyl]ethanoic acid
    29823 MTL
    CHEMBL689
    DB00742
    ZINC000002041302    		 28 C6 H14 O6 InChI=1S/C6H14O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3-12
    H,1-2H2/t3-,4-,5-,6-/m1/s
    1;
    FBPFZTCFMRRESA-KVTDHHQDSA-N    		 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
    ; OC[CH](O)[CH](O)[CH](O)[CH](O)CO; OC(C
    (O)CO)C(O)C(O)CO; C(C(C(C(C(CO)O)O)O)O)O
    ; OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO    		 D-MANNITOL
    29824 MTM
    DB02158    		 11 C12 H19 N5 O2 S InChI=1S/C12H19N5O2S/c1-2
    0-3-6-10(18)11(19)8(17-6)
    5-2-14-9-7(5)15-4-16-12(9
    )13/h2,4,6,8,10-12,14,17-
    19H,3,13H2,1H3,(H,15,16)/
    t6-,8+,10-,11+,12?/m1/s1;
    YLCQGEBEQIBOOJ-BOFBLULFSA-N    		 CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c2c[nH]
    c3[C@H](N)NC=Nc23; CSC[CH]1N[CH]([CH](O)
    [CH]1O)c2c[nH]c3[CH](N)NC=Nc23; CSC[C@@H
    ]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC
    3N)O)O; CSCC1C(C(C(N1)c2c[nH]c3c2N=CNC3N
    )O)O; OC3C(O)C(c2c1N=CNC(N)c1nc2)NC3CSC    		 (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL;
    (1S)-1-(9-DEAZAADENIN-9-YL)-1,4,5-TRIDEOXY-1,4-IMINO-5-METHYLTHIO-D-RIBITOL
    29825 MTN
    DB08217
    ZINC000002569540    		 65 C10 H18 N O3 S2 InChI=1S/C10H19NO3S2/c1-9
    (2)6-8(7-15-16(5,13)14)10
    (3,4)11(9)12/h6,12H,7H2,1
    -5H3;
    MXZPGYFBZHBAQM-UHFFFAOYSA-N    		 CC1(C)C=C(CS[S](C)(=O)=O)C(C)(C)N1[O]; C
    C1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C; ON1C
    (C=C(CSS(=O)(=O)C)C1(C)C)(C)C    		 S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate;
    MTSL
    29826 MTO 0 H2 O InChI=1/H2O/h1H2;
    XLYOFNOQVPJJNP-UHFFFAOYAF    		 O BOUND WATER
    29827 MTP
    CHEMBL388931
    DB02896
    ZINC000000519128    		 10 C11 H14 N4 O4 S InChI=1S/C11H14N4O4S/c1-2
    0-10-6-9(12-3-13-10)15(4-
    14-6)11-8(18)7(17)5(2-16)
    19-11/h3-5,7-8,11,16-18H,
    2H2,1H3/t5-,7-,8-,11-/m1/
    s1;
    ZDRFDHHANOYUTE-IOSLPCCCSA-N    		 CSc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[C
    H]3O; n2c1c(ncnc1SC)n(c2)C3OC(C(O)C3O)CO
    ; CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]
    ([C@H](O3)CO)O)O; CSc1c2c(ncn1)n(cn2)C3C
    (C(C(O3)CO)O)O; CSc1ncnc2n(cnc12)[C@@H]3
    O[C@H](CO)[C@@H](O)[C@H]3O    		 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL;
    9-BETA-D-RIBOFURANOSYL-6-METHYLTHIOPURINE
    29828 MTQ 6 C10 H8 Mo N5 O8 P S2 InChI=1S/C10H10N5O6PS2.Mo
    .2O/c11-10-14-7-4(8(16)15
    -10)12-3-6(24)5(23)2(21-9
    (3)13-7)1-20-22(17,18)19;
    ;;/h9,23-24H,1H2,(H2,17,1
    8,19)(H3,11,13,14,15,16);
    ;;/q;+2;;/p-2/t9-;;;/m1..
    ./s1;
    IXNYCVJPVGNGQC-NRYJBHHQSA-L    		 C(C1=C2C(=C3C(O1)NC4=NC(=NC(=O)C4=N3)N)S
    [Mo](=O)(=O)S2)OP(=O)(O)O; O=C2N=C(N=C3N
    C4OC(=C1S[Mo](=O)(=O)SC1=C4N=C23)COP(=O)
    (O)O)N; C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC
    (=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O;
    NC1=NC(=O)C2=NC3=C4S[Mo](=O)(=O)SC4=C(CO
    [P](O)(O)=O)O[C@H]3NC2=N1; NC1=NC(=O)C2=
    NC3=C4S[Mo](=O)(=O)SC4=C(CO[P](O)(O)=O)O
    [CH]3NC2=N1    		 (MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(VI)
    29829 MTR
    DB04060
    ZINC000012504117    		 0 C11 H16 N O7 P InChI=1S/C11H16NO7P/c1-6-
    2-7(4-12-11(6)14)9-3-8(13
    )10(19-9)5-18-20(15,16)17
    /h2,4,8-10,13H,3,5H2,1H3,
    (H,12,14)(H2,15,16,17)/t8
    -,9+,10+/m0/s1;
    MUWYCJQCZPFLFI-IVZWLZJFSA-N    		 CC1=CC(=CNC1=O)[CH]2C[CH](O)[CH](CO[P](O
    )(O)=O)O2; CC1=CC(=CNC1=O)C2CC(C(O2)COP(
    =O)(O)O)O; CC1=CC(=CNC1=O)[C@H]2C[C@@H](
    [C@H](O2)COP(=O)(O)O)O; O=P(OCC2OC(C=1C=
    C(C(=O)NC=1)C)CC2O)(O)O; CC1=CC(=CNC1=O)
    [C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2    		 (5-METHYL-6-OXO-1,6-DIHYDRO-PYRIDIN-3-YL)-1,2-DIDEOXY-RIBOFURANOSE-5-MONOPHOSPHATE
    29830 MTS
    CHEMBL273822
    DB04081
    ZINC000003870400    		 1 C9 H14 N2 O4 S3 InChI=1S/C9H14N2O4S3/c1-5
    -3-7(11-2)6-4-8(18(10,14)
    15)16-9(6)17(5,12)13/h4-5
    ,7,11H,3H2,1-2H3,(H2,10,1
    4,15)/t5-,7-/m0/s1;
    PYXFWOIZPYXNRU-FSPLSTOPSA-N    		 O=S(=O)(c1sc2c(c1)C(NC)CC(C)S2(=O)=O)N;
    CN[CH]1C[CH](C)[S](=O)(=O)c2sc(cc12)[S](
    N)(=O)=O; CN[C@H]1C[C@H](C)[S](=O)(=O)c2
    sc(cc12)[S](N)(=O)=O; C[C@H]1C[C@@H](c2c
    c(sc2S1(=O)=O)S(=O)(=O)N)NC; CC1CC(c2cc(
    sc2S1(=O)=O)S(=O)(=O)N)NC    		 (4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
    29831 MTT 0 C24 H42 O21 InChI=1S/C24H42O21/c25-1-
    5-9(29)10(30)15(35)22(40-
    5)44-19-7(3-27)42-24(17(3
    7)12(19)32)45-20-8(4-28)4
    1-23(16(36)13(20)33)43-18
    -6(2-26)39-21(38)14(34)11
    (18)31/h5-38H,1-4H2/t5-,6
    -,7-,8-,9-,10+,11-,12-,13
    -,14-,15-,16-,17-,18-,19-
    ,20-,21+,22-,23-,24-/m1/s
    1;
    LUEWUZLMQUOBSB-ZLBHSGTGSA-N    		 O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO
    )C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO;
    C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(
    C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O
    )O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1
    )O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)
    O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O
    [C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)
    CO)CO)CO)O)O)O)O; OC[C@H]1O[C@H](O[C@H]2
    [C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@H]
    3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H
    ]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)[
    C@H](O)[C@@H](O)[C@@H]1O; OC[CH]1O[CH](O
    [CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[
    CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)
    [CH](O)[CH](O)O[CH]4CO)[CH](O)[CH](O)[CH
    ]1O    		 MALTOTETRAOSE
    29832 MTU
    ZINC000058650394    		 0 C10 H14 N5 O7 P InChI=1S/C10H14N5O7P/c11-
    10-12-1-4-8(14-10)15(3-13
    -4)9-7(17)6(16)5(22-9)2-2
    1-23(18,19)20/h1,3,5-7,9,
    16-17H,2H2,(H2,11,12,14)(
    H2,18,19,20)/t5-,6-,7-,9-
    /m1/s1;
    ZBZOSANSUPOJNF-JXOAFFINSA-N    		 O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)C(O)C3O
    ; c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)COP(=O)(O)O)O)O; Nc1ncc2ncn([
    C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H
    ]3O)c2n1; Nc1ncc2ncn([CH]3O[CH](CO[P](O)
    (O)=O)[CH](O)[CH]3O)c2n1; c1c2c(nc(n1)N)
    n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O    		 9-BETA-D-RIBOFURANOSYL-9H-PURIN-2-AMINE
    29833 MTV 3 C10 H9 Mo N5 O8 P S2 InChI=1S/C10H10N5O6PS2.Mo
    .H2O.O/c11-10-14-7-4(8(16
    )15-10)12-3-6(24)5(23)2(2
    1-9(3)13-7)1-20-22(17,18)
    19;;;/h9,23-24H,1H2,(H2,1
    7,18,19)(H3,11,13,14,15,1
    6);;1H2;/q;+2;;/p-3/t9-;;
    ;/m1.../s1;
    LHAIYTXZRHTNKS-NRYJBHHQSA-K    		 C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N
    3)N)S[Mo@-](=O)(S2)O)OP(=O)(O)O; NC1=NC(
    =O)C2=NC3=C4S[Mo-](O)(=O)SC4=C(CO[P](O)(
    O)=O)O[CH]3NC2=N1; NC1=NC(=O)C2=NC3=C4S[
    Mo-](O)(=O)SC4=C(CO[P](O)(O)=O)O[C@H]3NC
    2=N1; O=C2N=C(N=C3NC4OC(=C1S[Mo-](=O)(SC
    1=C4N=C23)O)COP(=O)(O)O)N; C(C1=C2C(=C3C
    (O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo-](=O)(S2)
    O)OP(=O)(O)O    		 (MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(IV)
    29834 MTW
    DB08218
    ZINC000103550302    		 3 C19 H15 N7 O2 InChI=1S/C19H15N7O2/c27-2
    6(28)17-6-2-5-16(10-17)23
    -19-21-8-7-18(24-19)15-4-
    1-3-14(9-15)11-25-13-20-1
    2-22-25/h1-6,8-10,12-13H,
    7,11H2/b23-19-;
    PLQVWKCQWFFUFJ-NMWGTECJSA-N    		 [O-][N+](=O)c4cccc(\N=C1\N=CCC(=N1)c2cc(
    ccc2)Cn3ncnc3)c4; c1cc(cc(c1)C2=N/C(=N\c
    3cccc(c3)[N+](=O)[O-])/N=CC2)Cn4cncn4; c
    1cc(cc(c1)C2=NC(=Nc3cccc(c3)[N+](=O)[O-]
    )N=CC2)Cn4cncn4; [O-][N+](=O)c1cccc(c1)N
    =C2N=CCC(=N2)c3cccc(Cn4cncn4)c3    		 HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
    29835 MTX
    CHEMBL34259
    DB00563
    ZINC000001529323    		 216 C20 H22 N8 O5 InChI=1S/C20H22N8O5/c1-28
    (9-11-8-23-17-15(24-11)16
    (21)26-20(22)27-17)12-4-2
    -10(3-5-12)18(31)25-13(19
    (32)33)6-7-14(29)30/h2-5,
    8,13H,6-7,9H2,1H3,(H,25,3
    1)(H,29,30)(H,32,33)(H4,2
    1,22,23,26,27)/t13-/m0/s1;
    FBOZXECLQNJBKD-ZDUSSCGKSA-N    		 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)
    N[CH](CCC(O)=O)C(O)=O; CN(Cc1cnc2nc(N)nc
    (N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)
    C(O)=O; CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc
    (cc3)C(=O)NC(CCC(=O)O)C(=O)O; O=C(O)C(NC
    (=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3N)N)
    CCC(=O)O; CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3c
    cc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O    		 METHOTREXATE
    29836 MTY
    CHEMBL1232501
    DB03552
    ZINC000000392006    		 3 C9 H11 N O3 InChI=1S/C9H11NO3/c10-8(9
    (12)13)5-6-2-1-3-7(11)4-6
    /h1-4,8,11H,5,10H2,(H,12,
    13)/t8-/m0/s1;
    JZKXXXDKRQWDET-QMMMGPOBSA-N    		 N[CH](Cc1cccc(O)c1)C(O)=O; c1cc(cc(c1)O)
    C[C@@H](C(=O)O)N; O=C(O)C(N)Cc1cc(O)ccc1
    ; c1cc(cc(c1)O)CC(C(=O)O)N; N[C@@H](Cc1c
    ccc(O)c1)C(O)=O    		 META-TYROSINE
    29837 MTZ
    DB08219
    ZINC000103550310    		 2 C18 H20 N6 O S InChI=1S/C18H20N6OS/c1-12
    -16(26-17(19)21-12)15-6-7
    -20-18(23-15)22-13-2-4-14
    (5-3-13)24-8-10-25-11-9-2
    4/h2-5,7H,6,8-11H2,1H3,(H
    2,19,21)/b22-18-;
    RPSZSAKYXPWBRR-PYCFMQQDSA-N    		 N\2=C(c1sc(nc1C)N)CC=NC/2=N\c4ccc(N3CCOC
    C3)cc4; Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N
    4CCOCC4)N=CC2; Cc1nc(N)sc1C2=NC(N=CC2)=N
    c3ccc(cc3)N4CCOCC4    		 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE
    29838 MU0
    CHEMBL245221
    ZINC000024909912    		 2 C37 H45 N5 O6 InChI=1S/C37H45N5O6/c1-25
    (2)33(41-20-12-19-38-36(4
    1)46)35(45)39-28(21-26-13
    -6-3-7-14-26)23-31(43)30(
    22-27-15-8-4-9-16-27)40-3
    4(44)32-24-42(37(47)48-32
    )29-17-10-5-11-18-29/h3-1
    1,13-18,25,28,30-33,43H,1
    2,19-24H2,1-2H3,(H,38,46)
    (H,39,45)(H,40,44)/t28-,3
    0-,31-,32-,33-/m0/s1;
    YTEURAFEAFHROU-FLIXOAOSSA-N    		 CC(C)C(C(=O)NC(Cc1ccccc1)CC(C(Cc2ccccc2)
    NC(=O)C3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O
    ; CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C
    @@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=
    O)O3)c4ccccc4)O)N5CCCNC5=O; CC(C)[CH](N1
    CCCNC1=O)C(=O)N[CH](C[CH](O)[CH](Cc2cccc
    c2)NC(=O)[CH]3CN(C(=O)O3)c4ccccc4)Cc5ccc
    cc5; O=C5OC(C(=O)NC(Cc1ccccc1)C(O)CC(NC(
    =O)C(N2C(=O)NCCC2)C(C)C)Cc3ccccc3)CN5c4c
    cccc4; CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H]
    (C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3C
    N(C(=O)O3)c4ccccc4)Cc5ccccc5    		 (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE
    29839 MU1
    CHEMBL388901
    ZINC000024909856    		 2 C37 H44 N4 O7 InChI=1S/C37H44N4O7/c1-23
    (2)34(38-25(4)43)36(46)39
    -29(18-26-12-7-5-8-13-26)
    21-32(44)31(19-27-14-9-6-
    10-15-27)40-35(45)33-22-4
    1(37(47)48-33)30-17-11-16
    -28(20-30)24(3)42/h5-17,2
    0,23,29,31-34,44H,18-19,2
    1-22H2,1-4H3,(H,38,43)(H,
    39,46)(H,40,45)/t29-,31-,
    32-,33-,34-/m0/s1;
    CZPLKLADANMGQQ-JUZBSFEJSA-N    		 CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@
    H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)
    O3)c4cccc(c4)C(=O)C)O)NC(=O)C; O=C4OC(C(
    =O)NC(Cc1ccccc1)C(O)CC(NC(=O)C(NC(=O)C)C
    (C)C)Cc2ccccc2)CN4c3cccc(C(=O)C)c3; CC(C
    )[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H
    ](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cc
    cc(c3)C(C)=O)Cc4ccccc4; CC(C)C(C(=O)NC(C
    c1ccccc1)CC(C(Cc2ccccc2)NC(=O)C3CN(C(=O)
    O3)c4cccc(c4)C(=O)C)O)NC(=O)C; CC(C)[CH]
    (NC(C)=O)C(=O)N[CH](C[CH](O)[CH](Cc1cccc
    c1)NC(=O)[CH]2CN(C(=O)O2)c3cccc(c3)C(C)=
    O)Cc4ccccc4    		 N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]CARBONYL}AMINO)-1-BENZYL-3-HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE
    29840 MU2 0 C19 H32 N4 O11 InChI=1S/C19H32N4O11/c1-7
    (16(28)23-10(18(30)31)4-5
    -12(20)26)21-17(29)8(2)33
    -15-13(22-9(3)25)19(32)34
    -11(6-24)14(15)27/h7-8,10
    -11,13-15,19,24,27,32H,4-
    6H2,1-3H3,(H2,20,26)(H,21
    ,29)(H,22,25)(H,23,28)(H,
    30,31)/t7-,8+,10+,11+,13+
    ,14+,15+,19-/m0/s1;
    SNTUQIQTAZQYIG-PUFOHHGRSA-N    		 CC(C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C)OC1
    C(C(OC(C1O)CO)O)NC(=O)C; O=C(O)C(NC(=O)C
    (NC(=O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C)
    CCC(=O)N; C[CH](NC(=O)[CH](C)O[CH]1[CH](
    O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(=O)N[CH
    ](CCC(N)=O)C(O)=O; C[C@H](NC(=O)[C@@H](C
    )O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H
    ]1NC(C)=O)C(=O)N[C@H](CCC(N)=O)C(O)=O; C
    [C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O
    )[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C
    @H]1O)CO)O)NC(=O)C    		 N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINE
    29841 MU3 1 C15 H16 N4 O2 InChI=1S/C15H16N4O2/c20-1
    4(17-15-18-16-9-19(15)10-
    5-6-10)12-7-8-21-13-4-2-1
    -3-11(12)13/h1-4,9-10,12H
    ,5-8H2,(H,17,18,20)/t12-/
    m1/s1;
    BMUGFKLSYMKHTP-GFCCVEGCSA-N    		 O=C(Nc1nncn1C2CC2)[C@@H]3CCOc4ccccc34; c
    1ccc2c(c1)[C@@H](CCO2)C(=O)Nc3nncn3C4CC4
    ; O=C(Nc1nncn1C1CC1)C1CCOc2ccccc21; O=C(
    Nc1nncn1C2CC2)[CH]3CCOc4ccccc34; c1ccc2c
    (c1)C(CCO2)C(=O)Nc3nncn3C4CC4    		 (4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    29842 MU4 2 C27 H54 N3 O8 P InChI=1S/C27H54N3O8P/c1-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16-17-23(31)28-20-21-
    29-24(32)18-19-30-26(34)2
    5(33)27(2,3)22-38-39(35,3
    6)37/h25,33H,4-22H2,1-3H3
    ,(H,28,31)(H,29,32)(H,30,
    34)(H2,35,36,37)/t25-/m0/
    s1;
    KCTLTWRYJGTZMN-VWLOTQADSA-N    		 CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[CH
    ](O)C(C)(C)CO[P](O)(O)=O; CCCCCCCCCCCCCC
    CC(=O)NCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
    [P](O)(O)=O; CCCCCCCCCCCCCCCC(=O)NCCNC(=
    O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O; O
    P(OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCC
    CCCCCCC)=O)C)(=O)O; CCCCCCCCCCCCCCCC(=O)
    NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O    		 N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
    29843 MU5 2 C20 H23 N5 O2 InChI=1S/C20H23N5O2/c26-1
    9(23-16-12-14-6-2-3-7-15(
    14)13-16)17-18(22-9-8-21-
    17)24-20(27)25-10-4-1-5-1
    1-25/h2-3,6-9,16H,1,4-5,1
    0-13H2,(H,23,26)(H,22,24,
    27);
    AOICKOCLMIPLFS-UHFFFAOYSA-N    		 c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N
    4CCCCC4; O=C(Nc1nccnc1C(=O)NC2Cc3ccccc3C
    2)N4CCCCC4    		 ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide
    29844 MU6
    CHEMBL3360549
    ZINC000000337821    		 1 C5 H8 O4 InChI=1S/C5H8O4/c1-5(2,3(
    6)7)4(8)9/h1-2H3,(H,6,7)(
    H,8,9);
    OREAFAJWWJHCOT-UHFFFAOYSA-N    		 CC(C)(C(O)=O)C(O)=O; O=C(O)C(C)(C)C(=O)O
    ; CC(C)(C(=O)O)C(=O)O    		 dimethylpropanedioic acid
    29845 MU7
    ZINC000009428197    		 1 C20 H19 I N2 O4 InChI=1S/C20H19IN2O4/c1-2
    6-16-7-8-17(27-2)18-14(16
    )11-12(19(24)23-18)9-10-2
    2-20(25)13-5-3-4-6-15(13)
    21/h3-8,11H,9-10H2,1-2H3,
    (H,22,25)(H,23,24);
    RJARQBKOBDUFBP-UHFFFAOYSA-N    		 COc1ccc(c2c1C=C(C(=O)N2)CCNC(=O)c3ccccc3
    I)OC; COc1ccc(OC)c2C=C(CCNC(=O)c3ccccc3I
    )C(=O)Nc12; Ic1ccccc1C(NCCC3=Cc2c(ccc(c2
    NC3=O)OC)OC)=O    		 N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
    29846 MU8 1 C26 H24 Cl N3 O3 InChI=1S/C26H24ClN3O3/c27
    -19-7-4-8-20(13-19)29-25(
    31)23-11-18(16-5-2-1-3-6-
    16)14-30(23)26(32)17-9-10
    -21-22(28)15-33-24(21)12-
    17/h1-10,12-13,18,22-23H,
    11,14-15,28H2,(H,29,31)/t
    18-,22+,23-/m0/s1;
    WXCDYJQWHUGJRV-NMNUPHIUSA-N    		 c1ccc(cc1)[C@H]2C[C@H](N(C2)C(=O)c3ccc4c
    (c3)OC[C@H]4N)C(=O)Nc5cccc(c5)Cl; N[C@@H
    ]1COc2cc(ccc12)C(=O)N3C[C@H](C[C@H]3C(=O
    )Nc4cccc(Cl)c4)c5ccccc5; N[CH]1COc2cc(cc
    c12)C(=O)N3C[CH](C[CH]3C(=O)Nc4cccc(Cl)c
    4)c5ccccc5; c1ccc(cc1)C2CC(N(C2)C(=O)c3c
    cc4c(c3)OCC4N)C(=O)Nc5cccc(c5)Cl    		 (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide
    29847 MU9 1 C21 H27 Cl2 F2 N3 O2 InChI=1S/C21H27Cl2F2N3O2/
    c22-13-18(29)26-14-15-5-1
    1-28(12-6-15)19(30)20(7-9
    -21(24,25)10-8-20)27-17-3
    -1-16(23)2-4-17/h1-4,15,2
    7H,5-14H2,(H,26,29);
    AOPFDRODIHTGFS-UHFFFAOYSA-N    		 c1cc(ccc1NC2(CCC(CC2)(F)F)C(=O)N3CCC(CC3
    )CNC(=O)CCl)Cl; FC1(F)CCC(CC1)(Nc2ccc(Cl
    )cc2)C(=O)N3CCC(CC3)CNC(=O)CCl    		 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
    29848 MUA
    CHEMBL34921
    DB03293
    ZINC000002584391    		 13 C6 H6 N4 O3 InChI=1S/C6H6N4O3/c1-10-3
    -2(7-6(10)13)4(11)9-5(12)
    8-3/h1H3,(H,7,13)(H2,8,9,
    11,12);
    XJEJWDFDVPDMAS-UHFFFAOYSA-N    		 CN1C2=C(C(=O)NC(=O)N2)NC1=O; CN1C(=O)NC2
    =C1NC(=O)NC2=O; O=C1C2=C(NC(=O)N1)N(C(=O
    )N2)C    		 9-METHYL URIC ACID
    29849 MUB
    CHEMBL1234516
    ZINC000003861769    		 14 C11 H19 N O8 InChI=1S/C11H19NO8/c1-4(1
    0(16)17)19-9-7(12-5(2)14)
    11(18)20-6(3-13)8(9)15/h4
    ,6-9,11,13,15,18H,3H2,1-2
    H3,(H,12,14)(H,16,17)/t4-
    ,6-,7-,8-,9-,11+/m1/s1;
    MNLRQHMNZILYPY-MDMHTWEWSA-N    		 C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1
    NC(C)=O)C(O)=O; O=C(O)C(OC1C(O)C(OC(O)C1
    NC(=O)C)CO)C; CC(C(=O)O)OC1C(C(OC(C1O)CO
    )O)NC(=O)C; C[C@@H](O[C@H]1[C@H](O)[C@@H
    ](CO)O[C@H](O)[C@@H]1NC(C)=O)C(O)=O; C[C
    @H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([
    C@H]1O)CO)O)NC(=O)C    		 N-acetyl-alpha-muramic acid;
    N-acetyl-muramic acid;
    N-ACETYLMURAMIC ACID
    29850 MUC 10 C6 H6 O4 InChI=1S/C6H6O4/c7-5(8)3-
    4-1-2-6(9)10-4/h1-2,4H,3H
    2,(H,7,8)/t4-/m1/s1;
    HPEKPJGPWNSAAV-SCSAIBSYSA-N    		 C1=CC(=O)OC1CC(=O)O; C1=CC(=O)O[C@H]1CC(
    =O)O; OC(=O)C[C@@H]1OC(=O)C=C1; O=C(O)CC
    1OC(=O)C=C1; OC(=O)C[CH]1OC(=O)C=C1    		 [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid;
    muconolactone
    29851 MUD
    ZINC000039112200    		 1 C10 H16 N2 O7 S InChI=1S/C10H16N2O7S/c1-2
    0-4-6(9(17)18)12-10(19)11
    -5(8(15)16)2-3-7(13)14/h5
    -6H,2-4H2,1H3,(H,13,14)(H
    ,15,16)(H,17,18)(H2,11,12
    ,19)/t5-,6-/m0/s1;
    AUSWZMPQDDVDBG-WDSKDSINSA-N    		 CSCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O; CS
    C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(
    =O)O; O=C(O)C(NC(=O)NC(C(=O)O)CCC(=O)O)C
    SC; CSC[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)
    C(O)=O; CSC[C@H](NC(=O)N[C@@H](CCC(O)=O)
    C(O)=O)C(O)=O    		 N-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-L-glutamic acid;
    (S)-2-(3-((R)-1-carboxy-2-methylthio)ethyl)ureido)pentanedioic acid
    29852 MUE
    CHEMBL1427894
    ZINC000000406428    		 5 C10 H9 N O2 S InChI=1S/C10H9NO2S/c11-14
    (12,13)10-6-5-8-3-1-2-4-9
    (8)7-10/h1-7H,(H2,11,12,1
    3);
    SWBLLSQMOMPTMC-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc2ccccc2c1; c1ccc2cc(ccc
    2c1)S(=O)(=O)N    		 naphthalene-2-sulfonamide
    29853 MUF
    DB08220
    ZINC000003803450    		 2 C27 H32 O4 InChI=1S/C27H32O4/c1-26-1
    3-11-17(25(30)31)15-18(26
    )5-8-20-21-9-10-23(27(21,
    2)14-12-22(20)26)24(29)16
    -3-6-19(28)7-4-16/h3-7,15
    ,20-23,28H,8-14H2,1-2H3,(
    H,30,31)/t20-,21-,22-,23+
    ,26-,27-/m0/s1;
    RPNNXCYIESWDSC-JRZBRKEGSA-N    		 C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C
    )C(O)=O)[C@@H]1CC[C@@H]2C(=O)c5ccc(O)cc5
    ; O=C(O)C5=CC4=CCC2C(CCC3(C(C(=O)c1ccc(O
    )cc1)CCC23)C)C4(C)CC5; CC12CCC3C(C1CCC2C
    (=O)c4ccc(cc4)O)CC=C5C3(CCC(=C5)C(=O)O)C
    ; C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C
    (=O)c4ccc(cc4)O)CC=C5[C@@]3(CCC(=C5)C(=O
    )O)C; C[C]12CC[CH]3[CH](CC=C4C=C(CC[C]34
    C)C(O)=O)[CH]1CC[CH]2C(=O)c5ccc(O)cc5    		 (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
    29854 MUG
    DB02639
    ZINC000004282201    		 4 C16 H18 O8 InChI=1S/C16H18O8/c1-7-4-
    12(18)23-10-5-8(2-3-9(7)1
    0)22-16-15(21)14(20)13(19
    )11(6-17)24-16/h2-5,11,13
    -17,19-21H,6H2,1H3/t11-,1
    3-,14+,15-,16+/m1/s1;
    YUDPTGPSBJVHCN-JZYAIQKZSA-N    		 CC1=CC(=O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[C
    H](O)[CH]3O)ccc12; O=C2Oc3cc(OC1OC(C(O)C
    (O)C1O)CO)ccc3C(=C2)C; CC1=CC(=O)Oc2cc(O
    [C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O
    )ccc12; CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C
    (O3)CO)O)O)O; CC1=CC(=O)Oc2c1ccc(c2)O[C@
    @H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)
    O    		 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE
    29855 MUH
    CHEMBL245549
    DB08221
    ZINC000008582034    		 1 C24 H18 F3 N5 O InChI=1S/C24H18F3N5O/c1-1
    5-7-8-18(31-23(33)16-4-2-
    5-17(12-16)24(25,26)27)13
    -21(15)32-22-19(6-3-10-29
    -22)20-9-11-28-14-30-20/h
    2-14H,1H3,(H,29,32)(H,31,
    33);
    NESXBRNDMQUVNG-UHFFFAOYSA-N    		 FC(F)(F)c1cccc(c1)C(=O)Nc2cc(c(cc2)C)Nc3
    ncccc3c4ncncc4; Cc1ccc(cc1Nc2c(cccn2)c3c
    cncn3)NC(=O)c4cccc(c4)C(F)(F)F; Cc1ccc(N
    C(=O)c2cccc(c2)C(F)(F)F)cc1Nc3ncccc3c4cc
    ncn4    		 N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
    29856 MUI
    CHEMBL219748
    ZINC000024832394    		 2 C33 H39 N3 O8 S InChI=1S/C33H39N3O8S/c1-2
    2(2)19-35(45(41,42)28-16-
    14-27(43-4)15-17-28)20-30
    (38)29(18-24-8-6-5-7-9-24
    )34-32(39)31-21-36(33(40)
    44-31)26-12-10-25(11-13-2
    6)23(3)37/h5-17,22,29-31,
    38H,18-21H2,1-4H3,(H,34,3
    9)/t29-,30+,31-/m0/s1;
    BUJKGFQFFGUYEM-YPKYBTACSA-N    		 COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)
    [CH](Cc2ccccc2)NC(=O)[CH]3CN(C(=O)O3)c4c
    cc(cc4)C(C)=O; CC(C)CN(CC(C(Cc1ccccc1)NC
    (=O)C2CN(C(=O)O2)c3ccc(cc3)C(=O)C)O)S(=O
    )(=O)c4ccc(cc4)OC; CC(C)C[N@@](C[C@H]([C
    @H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3
    ccc(cc3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC;
    COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[C@@H](
    O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O
    3)c4ccc(cc4)C(C)=O; O=C4OC(C(=O)NC(Cc1cc
    ccc1)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2
    )CN4c3ccc(C(=O)C)cc3    		 (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE
    29857 MUJ
    CHEMBL261849
    ZINC000013985942    		 1 C20 H22 N4 O3 InChI=1S/C20H22N4O3/c1-25
    -16-6-3-13(4-7-16)12-27-1
    7-8-5-14(10-18(17)26-2)9-
    15-11-23-20(22)24-19(15)2
    1/h3-8,10-11H,9,12H2,1-2H
    3,(H4,21,22,23,24);
    MYQAUKPBNJWPIE-UHFFFAOYSA-N    		 COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N;
    COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
    ; n1c(N)c(cnc1N)Cc3ccc(OCc2ccc(OC)cc2)c(
    OC)c3    		 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine
    29858 MUK
    CHEMBL540677
    ZINC000000967734    		 2 C12 H13 N3 InChI=1S/C12H13N3/c1-9-8-
    10(2)14-12(13-9)15-11-6-4
    -3-5-7-11/h3-8H,1-2H3,(H,
    13,14,15);
    ZLIBICFPKPWGIZ-UHFFFAOYSA-N    		 Cc1cc(nc(n1)Nc2ccccc2)C; Cc1cc(C)nc(Nc2c
    cccc2)n1    		 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine
    29859 MUL
    CHEMBL1234521
    DB11468
    ZINC000004217557    		 0 C28 H47 N O4 S InChI=1S/C28H47NO4S/c1-8-
    26(6)17-22(33-23(31)18-34
    -16-15-29(9-2)10-3)27(7)1
    9(4)11-13-28(20(5)25(26)3
    2)14-12-21(30)24(27)28/h8
    ,19-20,22,24-25,32H,1,9-1
    8H2,2-7H3/t19-,20+,22-,24
    +,25+,26-,27+,28+/m1/s1;
    UURAUHCOJAIIRQ-QGLSALSOSA-N    		 O=C2CCC13C(C(O)C(\C=C)(C)CC(OC(=O)CSCCN(
    CC)CC)C(C(CC1)C)(C)C23)C; CCN(CC)CCSCC(=
    O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[
    C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C
    =C; CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=
    C)[C@@H](O)[C@H](C)[C@@]23CC[C@@H](C)[C@
    ]1(C)[C@@H]2C(=O)CC3; CCN(CC)CCSCC(=O)OC
    1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)
    C=C; CCN(CC)CCSCC(=O)O[CH]1C[C](C)(C=C)[
    CH](O)[CH](C)[C]23CC[CH](C)[C]1(C)[CH]2C
    (=O)CC3    		 TIAMULIN;
    (4R,5S,6S,8R,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROPANOCYCLOPENTA[8]ANNULEN-8-YL {[2-(DIETHYLAMINO)ETHYL]SULFANYL}ACETATE
    29860 MUM 0 C10 H17 N2 O8 P InChI=1S/C10H17N2O8P/c1-4
    -2-12(10(16)11-8(4)15)9-7
    (14)6(13)5(20-9)3-19-21(1
    7)18/h4-7,9,13-14,17-18H,
    2-3H2,1H3,(H,11,15,16)/t4
    -,5-,6-,7-,9-/m1/s1;
    DIQYSSQJRBHEDN-DMKSXPFUSA-N    		 C[CH]1CN([CH]2O[CH](COP(O)O)[CH](O)[CH]2
    O)C(=O)NC1=O; C[C@@H]1CN(C(=O)NC1=O)[C@H
    ]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O; C[
    C@@H]1CN([C@@H]2O[C@H](COP(O)O)[C@@H](O)
    [C@H]2O)C(=O)NC1=O; CC1CN(C(=O)NC1=O)C2C
    (C(C(O2)COP(O)O)O)O; C1(C(NC(N(C1)C2OC(C
    (O)C2O)COP(O)O)=O)=O)C    		 5'-O-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine
    29861 MUN 15 C14 H26 O4 InChI=1S/C14H26O4/c1-2-3-
    4-5-6-7-8-9-10-14(17)18-1
    2-13(16)11-15/h9-10,13,15
    -16H,2-8,11-12H2,1H3/b10-
    9+/t13-/m0/s1;
    INMIULFREHIAOX-LXKVQUBZSA-N    		 CCCCCCCCC=CC(=O)OCC(CO)O; CCCCCCCC/C=C/C
    (=O)OC[C@H](CO)O; CCCCCCCCC=CC(=O)OC[CH]
    (O)CO; CCCCCCCC/C=C/C(=O)OC[C@@H](O)CO    		 [(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate;
    MONOUNDECENOIN
    29862 MUO
    CHEMBL3707395
    DB05187
    ZINC000114643710    		 1 C22 H24 O4 S InChI=1S/C22H24O4S/c1-14-
    12-16(13-15(2)20(14)26-22
    (3,4)21(24)25)6-11-19(23)
    17-7-9-18(27-5)10-8-17/h6
    -13H,1-5H3,(H,24,25)/b11-
    6+;
    AFLFKFHDSCQHOL-IZZDOVSWSA-N    		 CSc1ccc(cc1)C(=O)/C=C/c2cc(C)c(OC(C)(C)C
    (O)=O)c(C)c2; Cc1cc(cc(c1OC(C)(C)C(=O)O)
    C)C=CC(=O)c2ccc(cc2)SC; CSc1ccc(cc1)C(=O
    )C=Cc2cc(C)c(OC(C)(C)C(O)=O)c(C)c2; Cc1c
    c(cc(c1OC(C)(C)C(=O)O)C)/C=C/C(=O)c2ccc(
    cc2)SC    		 2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid;
    elafibranor
    29863 MUP
    DB08222
    ZINC000002043208    		 1 C12 H27 O3 P InChI=1S/C12H27O3P/c1-3-4
    -5-6-7-8-9-10-11-12-16(13
    ,14)15-2/h3-12H2,1-2H3,(H
    ,13,14);
    JBVUSHKPEBKWQP-UHFFFAOYSA-N    		 O=P(O)(OC)CCCCCCCCCCC; CCCCCCCCCCC[P@](=
    O)(O)OC; CCCCCCCCCCC[P](O)(=O)OC; CCCCCC
    CCCCCP(=O)(O)OC; CCCCCCCCCCC[P@@](O)(=O)
    OC    		 METHOXYUNDECYLPHOSPHINIC ACID
    29864 MUQ 1 C29 H34 N6 O6 S InChI=1S/C29H34N6O6S/c1-3
    2-29(38)35-13-11-34(12-14
    -35)28(37)25(16-19-5-3-7-
    21(15-19)27(30)31)33-42(3
    9,40)23-8-4-6-20(17-23)24
    -10-9-22(41-2)18-26(24)36
    /h3-10,15,17-18,25,33,36H
    ,11-14,16H2,1-2H3,(H3,30,
    31)(H,32,38)/t25-/m0/s1;
    YIECQHSXDOLVBZ-VWLOTQADSA-N    		 [H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC
    2)C(=O)NC)NS(=O)(=O)c3cccc(c3)c4ccc(cc4O
    )OC)/N; CNC(=O)N1CCN(CC1)C(=O)C(Cc2cccc(
    c2)C(=N)N)NS(=O)(=O)c3cccc(c3)c4ccc(cc4O
    )OC; CNC(=O)N1CCN(CC1)C(=O)[CH](Cc2cccc(
    c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4ccc(OC
    )cc4O; CNC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cc
    cc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4ccc
    (OC)cc4O    		 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide
    29865 MUR
    ZINC000004097160    		 25 C9 H17 N O7 InChI=1S/C9H17NO7/c1-3(8(
    13)14)16-7-5(10)9(15)17-4
    (2-11)6(7)12/h3-7,9,11-12
    ,15H,2,10H2,1H3,(H,13,14)
    /t3-,4-,5-,6-,7-,9-/m1/s1;
    MSFSPUZXLOGKHJ-KTZFPWNASA-N    		 CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N; 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@@H](O[C@@H]1[C@@H](N)[C@H
    ](O)O[C@H](CO)[C@H]1O)C(O)=O; C[CH](O[CH
    ]1[CH](N)[CH](O)O[CH](CO)[CH]1O)C(O)=O;
    O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C    		 beta-muramic acid;
    muramic acid
    29866 MUS
    CHEMBL1234524
    DB01768
    ZINC000013526502    		 1 C21 H25 N O11 InChI=1S/C21H25NO11/c1-9-
    5-16(27)31-15-6-11(3-4-12
    (9)15)32-21(20(29)30)7-13
    (25)17(22-10(2)24)19(33-2
    1)18(28)14(26)8-23/h3-6,1
    3-14,17-19,23,25-26,28H,7
    -8H2,1-2H3,(H,22,24)(H,29
    ,30)/t13-,14+,17+,18+,19+
    ,21+/m0/s1;
    KKDWIUJBUSOPGC-GKHMPSLRSA-N    		 CC(=O)N[CH]1[CH](O)C[C](O[CH]1[CH](O)[CH
    ](O)CO)(Oc2ccc3C(=CC(=O)Oc3c2)C)C(O)=O;
    CC1=CC(=O)Oc2c1ccc(c2)OC3(CC(C(C(O3)C(C(
    CO)O)O)NC(=O)C)O)C(=O)O; CC(=O)N[C@@H]1[
    C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)
    (Oc2ccc3C(=CC(=O)Oc3c2)C)C(O)=O; CC1=CC(
    =O)Oc2c1ccc(c2)O[C@@]3(C[C@@H]([C@H]([C@
    @H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(
    =O)O; O=C3Oc2c(ccc(OC1(OC(C(O)C(O)CO)C(N
    C(=O)C)C(O)C1)C(=O)O)c2)C(=C3)C    		 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID;
    METHYLUMBELLIFERYL SIALIC ACID
    29867 MUT
    CHEMBL384438
    ZINC000024832443    		 2 C33 H39 N3 O8 S InChI=1S/C33H39N3O8S/c1-2
    2(2)19-35(45(41,42)28-15-
    13-27(43-4)14-16-28)20-30
    (38)29(17-24-9-6-5-7-10-2
    4)34-32(39)31-21-36(33(40
    )44-31)26-12-8-11-25(18-2
    6)23(3)37/h5-16,18,22,29-
    31,38H,17,19-21H2,1-4H3,(
    H,34,39)/t29-,30+,31-/m0/
    s1;
    SLMZIXVIEWNEAM-YPKYBTACSA-N    		 CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O
    2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)
    OC; O=C4OC(C(=O)NC(Cc1ccccc1)C(O)CN(CC(C
    )C)S(=O)(=O)c2ccc(OC)cc2)CN4c3cccc(C(=O)
    C)c3; COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[
    CH](O)[CH](Cc2ccccc2)NC(=O)[CH]3CN(C(=O)
    O3)c4cccc(c4)C(C)=O; COc1ccc(cc1)[S](=O)
    (=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)N
    C(=O)[C@@H]3CN(C(=O)O3)c4cccc(c4)C(C)=O;
    CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=
    O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S
    (=O)(=O)c4ccc(cc4)OC    		 (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE
    29868 MUU
    CHEMBL515826
    ZINC000016052393    		 2 C26 H35 N3 O6 S InChI=1S/C26H35N3O6S/c1-2
    7-25(31)13-14-26(32)28-23
    (15-19-7-4-3-5-8-19)24(30
    )18-29(17-20-11-12-20)36(
    33,34)22-10-6-9-21(16-22)
    35-2/h3-10,16,20,23-24,30
    H,11-15,17-18H2,1-2H3,(H,
    27,31)(H,28,32)/t23-,24+/
    m0/s1;
    XCGCXCBWFPNYSI-BJKOFHAPSA-N    		 CNC(=O)CCC(=O)NC(Cc1ccccc1)C(CN(CC2CC2)S
    (=O)(=O)c3cccc(c3)OC)O; CNC(=O)CCC(=O)N[
    CH](Cc1ccccc1)[CH](O)CN(CC2CC2)[S](=O)(=
    O)c3cccc(OC)c3; CNC(=O)CCC(=O)N[C@@H](Cc
    1ccccc1)[C@H](O)CN(CC2CC2)[S](=O)(=O)c3c
    ccc(OC)c3; CNC(=O)CCC(=O)N[C@@H](Cc1cccc
    c1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3cccc(c
    3)OC)O; O=S(=O)(N(CC(O)C(NC(=O)CCC(=O)NC
    )Cc1ccccc1)CC2CC2)c3cccc(OC)c3    		 N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE
    29869 MUV
    CHEMBL456929
    DB08223
    ZINC000016052394    		 2 C23 H31 N3 O6 S InChI=1S/C23H31N3O6S/c1-2
    4-21(28)11-12-22(29)25-19
    (14-17-6-3-2-4-7-17)20(27
    )16-26(15-18-9-10-18)33(3
    0,31)23-8-5-13-32-23/h2-8
    ,13,18-20,27H,9-12,14-16H
    2,1H3,(H,24,28)(H,25,29)/
    t19-,20+/m0/s1;
    IKOPFHKAECNGQI-VQTJNVASSA-N    		 CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C
    [N@](CC2CC2)S(=O)(=O)c3ccco3)O; CNC(=O)C
    CC(=O)NC(Cc1ccccc1)C(CN(CC2CC2)S(=O)(=O)
    c3ccco3)O; CNC(=O)CCC(=O)N[CH](Cc1ccccc1
    )[CH](O)CN(CC2CC2)[S](=O)(=O)c3occc3; CN
    C(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN
    (CC2CC2)[S](=O)(=O)c3occc3; O=S(=O)(N(CC
    1CC1)CC(O)C(NC(=O)CCC(=O)NC)Cc2ccccc2)c3
    occc3    		 N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE
    29870 MUW
    ZINC000016052416    		 2 C34 H46 N4 O6 S InChI=1S/C34H46N4O6S/c1-2
    5(2)23-38(45(42,43)30-19-
    17-26(22-35)18-20-30)29(2
    4-39)16-10-11-21-36-33(40
    )32(37-34(41)44-3)31(27-1
    2-6-4-7-13-27)28-14-8-5-9
    -15-28/h4-9,12-15,17-20,2
    5,29,31-32,39H,10-11,16,2
    1-24,35H2,1-3H3,(H,36,40)
    (H,37,41)/t29-,32-/m0/s1;
    MIZXPWSGOFJDNM-NYDCQLBNSA-N    		 CC(C)CN(C(CCCCNC(=O)C(C(c1ccccc1)c2ccccc
    2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)CN; COC
    (=O)N[CH](C(c1ccccc1)c2ccccc2)C(=O)NCCCC
    [CH](CO)N(CC(C)C)[S](=O)(=O)c3ccc(CN)cc3
    ; COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=
    O)NCCCC[C@@H](CO)N(CC(C)C)[S](=O)(=O)c3c
    cc(CN)cc3; O=C(OC)NC(C(=O)NCCCCC(N(S(=O)
    (=O)c1ccc(cc1)CN)CC(C)C)CO)C(c2ccccc2)c3
    ccccc3; CC(C)C[N@@]([C@@H](CCCCNC(=O)[C@
    H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)
    (=O)c3ccc(cc3)CN    		 N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE
    29871 MUX
    CHEMBL2074784
    ZINC000001532301    		 2 C10 H8 O6 S InChI=1S/C10H8O6S/c1-6-4-
    10(11)15-9-5-7(2-3-8(6)9)
    16-17(12,13)14/h2-5H,1H3,
    (H,12,13,14);
    FUYLLJCBCKRIAL-UHFFFAOYSA-N    		 CC1=CC(=O)Oc2cc(O[S](O)(=O)=O)ccc12; CC1
    =CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O; O=S(=O)(
    O)Oc2ccc1c(OC(=O)C=C1C)c2    		 (4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate
    29872 MUY 4 C19 H22 N3 O6 P InChI=1S/C19H22N3O6P/c1-2
    9(27,28)19(12-4-8-14(24)9
    -5-12)22-10-15(18(22)26)2
    1-17(25)16(20)11-2-6-13(2
    3)7-3-11/h2-9,15-16,19,23
    -24H,10,20H2,1H3,(H,21,25
    )(H,27,28)/t15-,16+,19-/m
    0/s1;
    SAUAKDHLYZXRHJ-FCEWJHQRSA-N    		 CP(=O)([C@@H](c1ccc(cc1)O)N2C[C@@H](C2=O
    )NC(=O)[C@@H](c3ccc(cc3)O)N)O; C[P](O)(=
    O)[C@H](N1C[C@H](NC(=O)[C@H](N)c2ccc(O)c
    c2)C1=O)c3ccc(O)cc3; CP(=O)(C(c1ccc(cc1)
    O)N2CC(C2=O)NC(=O)C(c3ccc(cc3)O)N)O; Oc1
    ccc(cc1)C(P(=O)(O)C)N2CC(C2=O)NC(=O)C(N)
    c3ccc(cc3)O; C[P](O)(=O)[CH](N1C[CH](NC(
    =O)[CH](N)c2ccc(O)cc2)C1=O)c3ccc(O)cc3    		 (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid
    29873 MUZ 1 C35 H44 N5 O6 P S InChI=1S/C35H44N5O6PS/c36
    -32(37)27-18-20-28(21-19-
    27)34(47(43)46-29-15-8-3-
    9-16-29)38-33(41)31-17-10
    -22-40(31)35(42)30(23-25-
    11-4-1-5-12-25)39-48(44,4
    5)24-26-13-6-2-7-14-26/h2
    -3,6-9,13-16,18-21,25,30-
    31,34,39,43H,1,4-5,10-12,
    17,22-24H2,(H3,36,37)(H,3
    8,41)/t30-,31+,34-,47-/m1
    /s1;
    ISCJXVGAKGBLBF-MLJJTDPGSA-N    		 NC(=N)c1ccc(cc1)[CH](NC(=O)[CH]2CCCN2C(=
    O)[CH](CC3CCCCC3)N[S](=O)(=O)Cc4ccccc4)[
    P](O)Oc5ccccc5; c1ccc(cc1)CS(=O)(=O)NC(C
    C2CCCCC2)C(=O)N3CCCC3C(=O)NC(c4ccc(cc4)C
    (=N)N)P(O)Oc5ccccc5; [H]/N=C(/c1ccc(cc1)
    C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC
    3)NS(=O)(=O)Cc4ccccc4)P(O)Oc5ccccc5)\N;
    NC(=N)c1ccc(cc1)[C@H](NC(=O)[C@@H]2CCCN2
    C(=O)[C@@H](CC3CCCCC3)N[S](=O)(=O)Cc4ccc
    cc4)[P@](O)Oc5ccccc5    		 [(~{R})-(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid
    29874 MV0 0 C11 H10 O4 InChI=1S/C11H10O4/c1-6(12
    )7-3-4-9(14-2)10-8(13)5-1
    5-11(7)10/h3-4H,5H2,1-2H3;
    NPJPMDJXSQUZBY-UHFFFAOYSA-N    		 CC(=O)c1ccc(OC)c2c1OCC2=O; CC(=O)c1ccc(c
    2c1OCC2=O)OC; COc1ccc(C(C)=O)c2OCC(=O)c1
    2    		 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one
    29875 MV1
    ZINC000098209191    		 1 C18 H36 N2 O4 InChI=1S/C18H36N2O4/c1-4-
    5-6-7-8-9-10-12-19-15(22)
    11-13-20-17(24)16(23)18(2
    ,3)14-21/h16,21,23H,4-14H
    2,1-3H3,(H,19,22)(H,20,24
    )/t16-/m1/s1;
    OAZREYBYPROKTB-MRXNPFEDSA-N    		 CCCCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO;
    O=C(NCCC(=O)NCCCCCCCCC)C(O)C(C)(C)CO; C
    CCCCCCCCNC(=O)CCNC(=O)C(C(C)(C)CO)O; CCC
    CCCCCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO)O; C
    CCCCCCCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO    		 (2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide
    29876 MV2
    CHEMBL1741351
    ZINC000001567243    		 0 C9 H19 N O4 InChI=1S/C9H19NO4/c1-9(2,
    6-12)7(13)8(14)10-4-3-5-1
    1/h7,11-13H,3-6H2,1-2H3,(
    H,10,14)/t7-/m1/s1;
    SNPLKNRPJHDVJA-SSDOTTSWSA-N    		 CC(C)(CO)C(C(=O)NCCCO)O; CC(C)(CO)[C@@H]
    (C(=O)NCCCO)O; CC(C)(CO)[CH](O)C(=O)NCCC
    O; CC(C)(CO)[C@H](O)C(=O)NCCCO; O=C(NCCC
    O)C(O)C(C)(C)CO    		 (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide;
    L-Pantothenol
    29877 MV3 1 C21 H29 Cl2 N3 O2 InChI=1S/C21H30ClN3O2/c1-
    16(26)23-15-17-9-13-25(14
    -10-17)20(27)21(11-3-2-4-
    12-21)24-19-7-5-18(22)6-8
    -19/h5-8,17,24H,2-4,9-15H
    2,1H3,(H,23,26);
    BTZWDQQUOMQBMB-UHFFFAOYSA-N    		 c1cc(ccc1NC2(CCCCC2)C(=O)N3CCC(CC3)CNC(=
    O)CCl)Cl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC
    CCC2)Nc3ccc(Cl)cc3    		 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
    29878 MV4 1 C21 H20 N6 InChI=1S/C21H20N6/c22-15-
    8-9-27(12-15)20-18(10-14-
    11-24-21(23)26-19(14)25-2
    0)17-7-3-5-13-4-1-2-6-16(
    13)17/h1-7,10-11,15H,8-9,
    12,22H2,(H2,23,24,25,26)/
    t15-/m1/s1;
    LGFLKSRFTIOLSI-OAHLLOKOSA-N    		 N[C@@H]1CCN(C1)c2nc3nc(N)ncc3cc2c4cccc5c
    cccc45; c13nc(ncc1cc(c(N2CCC(N)C2)n3)c5c
    4ccccc4ccc5)N; c1ccc2c(c1)cccc2c3cc4cnc(
    nc4nc3N5CCC(C5)N)N; N[CH]1CCN(C1)c2nc3nc
    (N)ncc3cc2c4cccc5ccccc45; c1ccc2c(c1)ccc
    c2c3cc4cnc(nc4nc3N5CC[C@H](C5)N)N    		 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
    29879 MV5 0 C6 H13 N3 O2 S2 InChI=1S/C6H13N3O2S2/c7-4
    (1-10)2-12-13-3-5(8)6(9)1
    1/h1,4-5H,2-3,7-8H2,(H2,9
    ,11)/t4-,5+/m1/s1;
    YPDYDODADSFOTL-UHNVWZDZSA-N    		 N[C@@H](CSSC[C@H](N)C(N)=O)C=O; C(C(C=O)
    N)SSCC(C(=O)N)N; C([C@@H](C=O)N)SSC[C@@H
    ](C(=O)N)N; N[CH](CSSC[CH](N)C(N)=O)C=O    		 (2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide
    29880 MV6 0 C5 H11 N O S2 InChI=1S/C5H11NOS2/c1-9-3
    -2-4(6)5(7)8/h4H,2-3,6H2,
    1H3,(H,7,8)/t4-/m0/s1;
    IXNUCNJMRZVHDV-BYPYZUCNSA-N    		 CSCC[CH](N)C(O)=S; CSCCC(C(=S)O)N; CSCC[
    C@@H](C(=S)O)N; CSCC[C@H](N)C(O)=S; OC(=
    S)C(N)CCSC    		 (2S)-2-amino-4-(methylsulfanyl)butanethioic O-acid
    29881 MV7
    CHEMBL591644
    ZINC000150344683    		 3 C45 H55 F2 N5 O10 S InChI=1S/C45H55F2N5O10S/c
    1-28(2)41(45(57)48-26-30-
    13-9-7-10-14-30)51-44(56)
    40(61-18-17-60-5)25-39(53
    )38(27-62-37-23-34(46)22-
    35(47)24-37)50-43(55)33-1
    9-32(20-36(21-33)52(4)63(
    6,58)59)42(54)49-29(3)31-
    15-11-8-12-16-31/h7-16,19
    -24,28-29,38-41,53H,17-18
    ,25-27H2,1-6H3,(H,48,57)(
    H,49,54)(H,50,55)(H,51,56
    )/t29-,38+,39+,40-,41+/m1
    /s1;
    RSTFVOGBJGGSOD-NDKACYJFSA-N    		 C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=
    O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C
    @H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4c
    cccc4)OCCOC)O; COCCO[CH](C[CH](O)[CH](CO
    c1cc(F)cc(F)c1)NC(=O)c2cc(cc(c2)C(=O)N[C
    H](C)c3ccccc3)N(C)[S](C)(=O)=O)C(=O)N[CH
    ](C(C)C)C(=O)NCc4ccccc4; CC(C)C(C(=O)NCc
    1ccccc1)NC(=O)C(CC(C(COc2cc(cc(c2)F)F)NC
    (=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)
    c4ccccc4)O)OCCOC; COCCO[C@H](C[C@H](O)[C
    @H](COc1cc(F)cc(F)c1)NC(=O)c2cc(cc(c2)C(
    =O)N[C@H](C)c3ccccc3)N(C)[S](C)(=O)=O)C(
    =O)N[C@@H](C(C)C)C(=O)NCc4ccccc4; O=C(NC
    c1ccccc1)C(NC(=O)C(OCCOC)CC(O)C(NC(=O)c3
    cc(C(=O)NC(c2ccccc2)C)cc(N(C)S(=O)(=O)C)
    c3)COc4cc(F)cc(F)c4)C(C)C    		 N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide;
    N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-(2-methoxy-ethoxy)-butyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
    29882 MV8 4 C17 H23 N5 O4 InChI=1S/C17H23N5O4/c18-1
    6(19)12-1-3-13(4-2-12)22-
    10-14(26-17(22)25)9-20-5-
    7-21(8-6-20)11-15(23)24/h
    1-4,14H,5-11H2,(H3,18,19)
    (H,23,24)/t14-/m1/s1;
    BXTGCIBGRDGLNI-CQSZACIVSA-N    		 NC(=N)c1ccc(cc1)N2C[C@@H](CN3CCN(CC3)CC(
    O)=O)OC2=O; c1cc(ccc1C(=N)N)N2CC(OC2=O)C
    N3CCN(CC3)CC(=O)O; N=C(N)c1ccc(cc1)N1CC(
    CN2CCN(CC(=O)O)CC2)OC1=O; NC(=N)c1ccc(cc
    1)N2C[CH](CN3CCN(CC3)CC(O)=O)OC2=O; [H]/
    N=C(\c1ccc(cc1)N2C[C@H](OC2=O)CN3CCN(CC3
    )CC(=O)O)/N    		 (4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid
    29883 MV9
    ZINC000000403088    		 1 C6 H13 N O2 InChI=1S/C6H13NO2/c1-4(2)
    5(7-3)6(8)9/h4-5,7H,1-3H3
    ,(H,8,9)/t5-/m1/s1;
    AKCRVYNORCOYQT-RXMQYKEDSA-N    		 CC(C)[C@H](C(=O)O)NC; CC(C)C(C(=O)O)NC;
    CN[CH](C(C)C)C(O)=O; CN[C@H](C(C)C)C(O)=
    O    		 (2~{R})-3-methyl-2-(methylamino)butanoic acid;
    N-Methyl-D-valine
    29884 MVA
    ZINC000000403087    		 0 C6 H13 N O2 InChI=1S/C6H13NO2/c1-4(2)
    5(7-3)6(8)9/h4-5,7H,1-3H3
    ,(H,8,9)/t5-/m0/s1;
    AKCRVYNORCOYQT-YFKPBYRVSA-N    		 CC(C)C(C(=O)O)NC; CN[CH](C(C)C)C(O)=O; O
    =C(O)C(NC)C(C)C; CC(C)[C@@H](C(=O)O)NC;
    CN[C@@H](C(C)C)C(O)=O    		 N-METHYLVALINE
    29885 MVB
    DB08224
    ZINC000006416565    		 2 C18 H26 O4 InChI=1S/C18H26O4/c1-11-5
    -6-12-3-2-4-16(20)18(12)1
    5(11)8-7-14-9-13(19)10-17
    (21)22-14/h3,5-6,11,13-16
    ,18-20H,2,4,7-10H2,1H3/t1
    1-,13+,14-,15-,16-,18-/m0
    /s1;
    WWSNTLOVYSRDEL-TVKPWXLESA-N    		 C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C
    @H]3C[C@H](CC(=O)O3)O)O; C[CH]1C=CC2=CCC
    [CH](O)[CH]2[CH]1CC[CH]3C[CH](O)CC(=O)O3
    ; CC1C=CC2=CCCC(C2C1CCC3CC(CC(=O)O3)O)O;
    C[C@H]1C=CC2=CCC[C@H](O)[C@@H]2[C@H]1CC
    [C@H]3C[C@@H](O)CC(=O)O3; O=C3OC(CCC2C1C
    (=CCCC1O)C=CC2C)CC(O)C3    		 (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL
    29886 MVC
    ZINC000032840899    		 0 C21 H40 O4 InChI=1S/C21H40O4/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-21(24)25-19-20
    (23)18-22/h7-8,20,22-23H,
    2-6,9-19H2,1H3/b8-7-/t20-
    /m1/s1;
    KJHYUSLWTPMFTN-WHXUGTBJSA-N    		 CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](CO)O;
    CCCCCCC=CCCCCCCCCCC(=O)OC[CH](O)CO; CCCC
    CC\C=C/CCCCCCCCCC(=O)OC[C@H](O)CO; CCCCC
    CC=CCCCCCCCCCC(=O)OCC(CO)O; O=C(OCC(O)CO
    )CCCCCCCCC\C=C/CCCCCC    		 MONOVACCENIN;
    11.7 MAG
    29887 MVD
    CHEMBL215541
    ZINC000003941243    		 1 C28 H46 O3 InChI=1S/C28H46O3/c1-18(9
    -7-15-27(4,5)31)23-13-14-
    24-21(10-8-16-28(23,24)6)
    11-12-22-17-25(29)20(3)26
    (30)19(22)2/h11-12,18,20,
    23-26,29-31H,2,7-10,13-17
    H2,1,3-6H3/b21-11+,22-12-
    /t18-,20+,23-,24+,25-,26-
    ,28-/m1/s1;
    PSWKLSOBPNHZSY-GEMNOXHFSA-N    		 C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12
    C)=CC=C3C[CH](O)[CH](C)[CH](O)C3=C; OC3C
    (\C(=C/C=C1\CCCC2(C)C(C(C)CCCC(O)(C)C)CC
    C12)CC(O)C3C)=C; C[C@H]1[C@@H](C/C(=C/C=
    C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC
    (C)(C)O)C)/C(=C)[C@H]1O)O; CC1C(CC(=CC=C
    2CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)C(=C)C1O)
    O; C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(/C
    CC[C@]12C)=C/C=C3/C[C@@H](O)[C@H](C)[C@H
    ](O)C3=C    		 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3;
    9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-METHYL-,(1A,2A,3B,5Z,7E)
    29888 MVE 2 C30 H40 N6 O2 InChI=1S/C30H40N6O2/c1-4-
    38-30(10-13-33(14-11-30)2
    2(2)3)25-7-8-26(31-20-25)
    24-19-28-27(9-12-32-36(28
    )21-24)34-15-17-35(18-16-
    34)29(37)23-5-6-23/h7-9,1
    2,19-23H,4-6,10-11,13-18H
    2,1-3H3;
    JQUZALVIPZBANO-UHFFFAOYSA-N    		 CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccn
    n4c3)N5CCN(CC5)C(=O)C6CC6; CCOC1(CCN(CC1
    )C(C)C)c2ccc(nc2)c3cn4nccc(N5CCN(CC5)C(=
    O)C6CC6)c4c3    		 cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
    29889 MVF
    ZINC000095920763    		 1 C22 H32 N6 O3 InChI=1S/C22H32N6O3/c23-1
    8(29)13-26-19(15-4-2-1-3-
    5-15)22(31)28-11-10-17(28
    )21(30)27-12-14-6-8-16(9-
    7-14)20(24)25/h6-9,15,17,
    19,26H,1-5,10-13H2,(H2,23
    ,29)(H3,24,25)(H,27,30)/t
    17-,19+/m0/s1;
    HGGAEWPXSYIPSZ-PKOBYXMFSA-N    		 c1cc(ccc1CNC(=O)C2CCN2C(=O)C(C3CCCCC3)NC
    C(=O)N)C(=N)N; [H]/N=C(/c1ccc(cc1)CNC(=O
    )[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)
    N)\N; NC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C
    @H]2C(=O)NCc3ccc(cc3)C(N)=N; O=C(NCc1ccc
    (C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)N)C2CC
    CCC2)CC3; NC(=O)CN[CH](C1CCCCC1)C(=O)N2C
    C[CH]2C(=O)NCc3ccc(cc3)C(N)=N    		 (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide
    29890 MVG
    CHEMBL4228654    		 1 C21 H19 N5 O2 InChI=1S/C21H19N5O2/c1-13
    (2)24-17-8-7-16-10-23-26(
    19(16)9-17)20-12-22-11-18
    (25-20)14-3-5-15(6-4-14)2
    1(27)28/h3-13,24H,1-2H3,(
    H,27,28);
    RJXWGPDMMDILGJ-UHFFFAOYSA-N    		 CC(C)Nc1ccc2cnn(c3cncc(n3)c4ccc(cc4)C(O)
    =O)c2c1; O=C(O)c1ccc(cc1)c2nc(cnc2)n4ncc
    3ccc(cc34)NC(C)C; CC(C)Nc1ccc2cnn(c2c1)c
    3cncc(n3)c4ccc(cc4)C(=O)O    		 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid
    29891 MVH 2 C6 H12 N O5 P InChI=1S/C6H12NO5P/c1-5(4
    -6(8)7-2)12-13(9,10)11-3/
    h4H,1-3H3,(H,7,8)(H,9,10)
    /b5-4+;
    SBZAFHSOQLENTI-SNAWJCMRSA-N    		 CC(=CC(=O)NC)OP(=O)(O)OC; CNC(=O)C=C(C)O
    [P](O)(=O)OC; O=P(OC)(O\C(=C/C(=O)NC)C)O
    ; CNC(=O)/C=C(C)/O[P](O)(=O)OC    		 methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate
    29892 MVI
    ZINC000087528535    		 8 C35 H57 N O11 InChI=1S/C35H57NO11/c1-9-
    27-24(18-43-34-32(42)31(4
    1)29(39)23(6)45-34)12-10-
    11-13-26(37)20(3)16-21(4)
    33(19(2)14-15-28(38)46-27
    )47-35-30(40)25(36(7)8)17
    -22(5)44-35/h10-15,19-25,
    27,29-35,39-42H,9,16-18H2
    ,1-8H3/b12-10+,13-11+,15-
    14+/t19-,20+,21-,22+,23+,
    24+,25-,27+,29+,30+,31+,3
    2+,33+,34+,35-/m0/s1;
    ORPUAOXOPLNKNG-GEUQSOIWSA-N    		 CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O)O1)C)O
    C2C(C(CC(O2)C)N(C)C)O)C)C)COC3C(C(C(C(O3
    )C)O)O)O; 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)O)O; 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)[CH]3O; 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](O)[C@H]3O; O=C3C=CC=CC(COC1OC(C
    (O)C(O)C1O)C)C(OC(=O)C=CC(C)C(OC2OC(C)CC
    (N(C)C)C2O)C(C)CC3C)CC    		 Mycinamicin VI;
    [(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-beta-D-allopyranoside
    29893 MVJ
    CHEMBL4469387
    ZINC000230473062    		 1 C18 H23 N O2 InChI=1S/C18H23NO2/c20-17
    -18(8-10-21-11-9-18)15-12
    -14(6-7-16(15)19-17)13-4-
    2-1-3-5-13/h6-7,12-13H,1-
    5,8-11H2,(H,19,20);
    RZFQOJSXHMJDFD-UHFFFAOYSA-N    		 O=C1Nc2ccc(cc2C13CCOCC3)C4CCCCC4; c1cc2c
    (cc1C3CCCCC3)C4(CCOCC4)C(=O)N2    		 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one
    29894 MVK
    ZINC000223141813    		 2 C23 H26 N2 O2 InChI=1S/C23H26N2O2/c1-15
    -13-16(2)22-19(10-11-24-2
    2)20(15)14-25-12-4-3-5-21
    (25)17-6-8-18(9-7-17)23(2
    6)27/h6-11,13,21,24H,3-5,
    12,14H2,1-2H3,(H,26,27)/t
    21-/m0/s1;
    OTSLYLLOBTYVLP-NRFANRHFSA-N    		 Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccc(cc4)C(=O)
    O)cc[nH]2)C; Cc1cc(c2c(c1CN3CCCCC3c4ccc(
    cc4)C(=O)O)cc[nH]2)C; Cc1cc(C)c2[nH]ccc2
    c1CN3CCCC[CH]3c4ccc(cc4)C(O)=O; Cc1cc(C)
    c2[nH]ccc2c1CN3CCCC[C@H]3c4ccc(cc4)C(O)=
    O    		 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
    29895 MVL
    CHEMBL1213397
    ZINC000003821680    		 36 C8 H12 N2 O4 InChI=1S/C8H12N2O4/c11-3-
    4-5(12)6(13)7(14)8-9-1-2-
    10(4)8/h1-2,4-7,11-14H,3H
    2/t4-,5-,6+,7+/m1/s1;
    RZRDQZQPTISYKY-JWXFUTCRSA-N    		 c1cn2c(n1)C(C(C(C2CO)O)O)O; c1cn2c(n1)[C
    @H]([C@H]([C@@H]([C@H]2CO)O)O)O; OC[C@@H
    ]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12; n1c
    cn2c1C(O)C(O)C(O)C2CO; OC[CH]1[CH](O)[CH
    ](O)[CH](O)c2nccn12    		 (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL;
    Mannoimidazole
    29896 MVM
    CHEMBL4109308    		 2 C22 H20 Cl N7 O InChI=1S/C22H20ClN7O/c23-
    18-5-2-12-25-20(18)29(17-
    4-1-11-24-14-17)22(31)15-
    7-9-16(10-8-15)30-21-19(2
    7-28-30)6-3-13-26-21/h2-3
    ,5-10,12-13,17,24H,1,4,11
    ,14H2/t17-/m1/s1;
    FDTXHWQFIXYHCL-QGZVFWFLSA-N    		 Clc1cccnc1N([CH]2CCCNC2)C(=O)c3ccc(cc3)n
    4nnc5cccnc45; Clc1cccnc1N([C@@H]2CCCNC2)
    C(=O)c3ccc(cc3)n4nnc5cccnc45; c1cc2c(nc1
    )n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)C5C
    CCNC5; c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N
    (c4c(cccn4)Cl)[C@@H]5CCCNC5; C1CC(CNC1)N
    (c2c(Cl)cccn2)C(c3ccc(cc3)n5c4ncccc4nn5)
    =O    		 N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
    29897 MVN
    CHEMBL1581299
    ZINC000008681117    		 1 C10 H8 Cl N O InChI=1S/C10H8ClNO/c1-6-4
    -10(13)12-9-3-2-7(11)5-8(
    6)9/h2-5H,1H3,(H,12,13);
    VQMIYHVFVPSLGB-UHFFFAOYSA-N    		 CC1=CC(=O)Nc2c1cc(cc2)Cl; Clc2ccc1c(C(=C
    C(=O)N1)C)c2; CC1=CC(=O)Nc2ccc(Cl)cc12    		 6-chloro-4-methyl-1H-quinolin-2-one
    29898 MVO 1 C20 H27 Cl2 N3 O3 InChI=1S/C20H27Cl2N3O3/c2
    1-13-18(26)23-14-15-5-9-2
    5(10-6-15)19(27)20(7-11-2
    8-12-8-20)24-17-3-1-16(22
    )2-4-17/h1-4,15,24H,5-14H
    2,(H,23,26);
    HNNWDZMOTDNJQF-UHFFFAOYSA-N    		 c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CNC(=
    O)CCl)Cl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC
    OCC2)Nc3ccc(Cl)cc3    		 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
    29899 MVP 0 C13 H25 O13 P InChI=1S/C13H25O13P/c14-1
    -4-7(16)9(18)11(20)13(25-
    4)26-12-5(2-15)24-6(3-27(
    21,22)23)8(17)10(12)19/h4
    -20H,1-3H2,(H2,21,22,23)/
    t4-,5-,6-,7-,8+,9+,10-,11
    -,12-,13-/m1/s1;
    LIGBAXRYIYXSON-NVYKSAHZSA-N    		 P(O)(O)(CC2C(C(C(OC1C(C(O)C(C(O1)CO)O)O)
    C(O2)CO)O)O)=O; OC[CH]1O[CH](O[CH]2[CH](
    O)[CH](O)[CH](C[P](O)(O)=O)O[CH]2CO)[CH]
    (O)[CH](O)[CH]1O; C(C1C(C(C(C(O1)OC2C(OC
    (C(C2O)O)CP(=O)(O)O)CO)O)O)O)O; OC[C@H]1
    O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](C[
    P](O)(O)=O)O[C@@H]2CO)[C@H](O)[C@@H](O)[
    C@@H]1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@
    H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]
    2O)O)CP(=O)(O)O)CO)O)O)O)O    		 (1S)-1,5-anhydro-4-O-alpha-D-glucopyranosyl-1-(phosphonomethyl)-D-glucitol;
    alpha-maltose-c-phosphonate
    29900 MVQ 1 C23 H27 N5 O3 S InChI=1S/C23H27N5O3S/c1-2
    7-19(16-9-12-31-13-10-16)
    26-21-18(22(27)30)25-23(3
    2-21)28-11-5-8-17(28)20(2
    9)24-14-15-6-3-2-4-7-15/h
    2-4,6-7,16-17H,5,8-14H2,1
    H3,(H,24,29)/t17-/m1/s1;
    FYUIPOUZYCBCCU-QGZVFWFLSA-N    		 CN1C(=O)c2c(sc(n2)N3CCCC3C(=O)NCc4ccccc4
    )N=C1C5CCOCC5; CN1C(=O)c2nc(sc2N=C1C3CCO
    CC3)N4CCC[CH]4C(=O)NCc5ccccc5; CN1C(=O)c
    2c(sc(n2)N3CCC[C@@H]3C(=O)NCc4ccccc4)N=C
    1C5CCOCC5; CN1C(=O)c2nc(sc2N=C1C3CCOCC3)
    N4CCC[C@@H]4C(=O)NCc5ccccc5    		 (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide
    29901 MVR 1 C23 H21 N5 O InChI=1S/C23H21N5O/c1-27-
    14-11-20(26-27)17-28(23(2
    9)15-18-5-4-12-24-16-18)2
    1-9-7-19(8-10-21)22-6-2-3
    -13-25-22/h2-14,16H,15,17
    H2,1H3;
    SMTCZNNYBUKPMF-UHFFFAOYSA-N    		 Cn1ccc(CN(C(=O)Cc2cccnc2)c3ccc(cc3)c4ccc
    cn4)n1; Cn1ccc(n1)CN(c2ccc(cc2)c3ccccn3)
    C(=O)Cc4cccnc4; Cn1ccc(CN(C(=O)Cc2cccnc2
    )c2ccc(cc2)c2ccccn2)n1    		 N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-(pyridin-3-yl)-N-[4-(pyridin-2-yl)phenyl]acetamide
    29902 MVS
    CHEMBL4575895    		 3 C19 H17 N3 O3 InChI=1S/C19H17N3O3/c1-23
    -17-9-13(10-18(24-2)19(17
    )25-3)22-15-6-7-21-16-8-1
    2(11-20)4-5-14(15)16/h4-1
    0H,1-3H3,(H,21,22);
    BLWQIEISIMYCHD-UHFFFAOYSA-N    		 COc1cc(Nc2ccnc3cc(ccc23)C#N)cc(OC)c1OC;
    COc1cc(cc(OC)c1OC)Nc1ccnc2cc(ccc12)C#N;
    COc1cc(cc(c1OC)OC)Nc2ccnc3c2ccc(c3)C#N    		 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile
    29903 MVT 6 C19 H18 F3 N3 O2 S2 InChI=1S/C19H18F3N3O2S2/c
    1-11(2)17(12-4-3-5-13(20)
    6-12)10-18-23-24-19(28-18
    )25-29(26,27)16-8-14(21)7
    -15(22)9-16/h3-9,11,17H,1
    0H2,1-2H3,(H,24,25)/t17-/
    m1/s1;
    KRNZQAQFIHQJIO-QGZVFWFLSA-N    		 CC(C)[C@@H](Cc1sc(N[S](=O)(=O)c2cc(F)cc(
    F)c2)nn1)c3cccc(F)c3; CC(C)C(Cc1nnc(s1)N
    S(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F; CC(
    C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)
    F)F)c3cccc(c3)F; CC(C)[CH](Cc1sc(N[S](=O
    )(=O)c2cc(F)cc(F)c2)nn1)c3cccc(F)c3    		 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
    29904 MVU 1 C21 H30 Cl N3 O2 InChI=1S/C21H31N3O2/c1-17
    (25)22-16-18-10-14-24(15-
    11-18)20(26)21(12-6-3-7-1
    3-21)23-19-8-4-2-5-9-19/h
    2,4-5,8-9,18,23H,3,6-7,10
    -16H2,1H3,(H,22,25);
    QDHGMONVRNGGRH-UHFFFAOYSA-N    		 ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3cc
    ccc3; c1ccc(cc1)NC2(CCCCC2)C(=O)N3CCC(CC
    3)CNC(=O)CCl    		 2-chloranyl-N-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide
    29905 MVV 2 C45 H84 O10 InChI=1S/C45H84O10/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-31-33-40(47)52-
    36-38(37-53-45-44(51)43(5
    0)42(49)39(35-46)55-45)54
    -41(48)34-32-30-28-26-24-
    22-20-18-16-14-12-10-8-6-
    4-2/h18,20,38-39,42-46,49
    -51H,3-17,19,21-37H2,1-2H
    3/b20-18-/t38-,39+,42+,43
    -,44+,45-/m0/s1;
    STIYDDOYHOERHV-JTDQAXPSSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@H]1O
    [C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)
    CCCCCCC\C=C/CCCCCCCC; C1(C(CO)OC(OCC(COC
    (CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCC=[C@
    H]CCCCCCCC)C(C1O)O)O; CCCCCCCCCCCCCCCCCC
    (=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CC
    CCCCCC=CCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)
    OC[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C
    @H](O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC
    CC; CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1
    O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCC
    CCCC=CCCCCCCCC    		 (2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
    29906 MVW
    CHEMBL4638836
    ZINC000223283332    		 2 C22 H26 N2 InChI=1S/C22H26N2/c1-16-1
    4-17(2)22-19(11-12-23-22)
    20(16)15-24-13-7-6-10-21(
    24)18-8-4-3-5-9-18/h3-5,8
    -9,11-12,14,21,23H,6-7,10
    ,13,15H2,1-2H3/t21-/m0/s1;
    GRJUTCRGMYGLQC-NRFANRHFSA-N    		 Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccccc4)cc[nH]
    2)C; Cc1cc(C)c2[nH]ccc2c1CN3CCCC[CH]3c4c
    cccc4; Cc1cc(c2c(c1CN3CCCCC3c4ccccc4)cc[
    nH]2)C; Cc1cc(C)c2[nH]ccc2c1CN3CCCC[C@H]
    3c4ccccc4    		 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole
    29907 MVX 1 C14 H13 Cl N4 O2 InChI=1S/C14H13ClN4O2/c15
    -8-1-4-12-10(5-8)11(6-21-
    12)13(20)17-14-18-16-7-19
    (14)9-2-3-9/h1,4-5,7,9,11
    H,2-3,6H2,(H,17,18,20)/t1
    1-/m1/s1;
    UWYNTVRTJWFJEK-LLVKDONJSA-N    		 Clc1ccc2OC[CH](C(=O)Nc3nncn3C4CC4)c2c1;
    Clc1ccc2OC[C@@H](C(=O)Nc3nncn3C4CC4)c2c1
    ; c1cc2c(cc1Cl)[C@@H](CO2)C(=O)Nc3nncn3C
    4CC4; Clc1cc2c(cc1)OCC2C(=O)Nc1nncn1C1CC
    1; c1cc2c(cc1Cl)C(CO2)C(=O)Nc3nncn3C4CC4    		 (3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
    29908 MVY
    CHEMBL4517215    		 1 C14 H16 Cl F N2 O3 InChI=1S/C14H16ClFN2O3/c1
    -21-14(20)18-6-2-3-9(8-18
    )13(19)17-10-4-5-11(15)12
    (16)7-10/h4-5,7,9H,2-3,6,
    8H2,1H3,(H,17,19)/t9-/m0/
    s1;
    IVLMMHCXKNWWBK-VIFPVBQESA-N    		 COC(=O)N1CCCC(C1)C(=O)Nc2ccc(c(c2)F)Cl;
    COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F
    )Cl; c1c(ccc(c1F)Cl)NC(C2CCCN(C(=O)OC)C2
    )=O; COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(C
    l)c(F)c2; COC(=O)N1CCC[CH](C1)C(=O)Nc2cc
    c(Cl)c(F)c2    		 methyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
    29909 MVZ 3 C12 H10 Br Cl N4 InChI=1S/C12H10BrClN4/c1-
    6-4-7(13)11(18-12-15-2-3-
    16-12)9-8(14)5-17-10(6)9/
    h2-5,17H,1H3,(H2,15,16,18
    );
    NKEWJSANHAKFDR-UHFFFAOYSA-N    		 Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13;
    Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br    		 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine
    29910 MW0
    ZINC000000152340    		 2 C6 H8 O2 InChI=1S/C6H8O2/c1-5-2-3-
    6(4-7)8-5/h2-3,7H,4H2,1H3;
    VOZFDEJGHQWZHU-UHFFFAOYSA-N    		 Cc1oc(CO)cc1; Cc1ccc(o1)CO; Cc1ccc(CO)o1 (5-methylfuran-2-yl)methanol
    29911 MW1 0 H2 Mn O InChI=1/Mn.H2O/h;1H2/q+2;
    /rH2MnO/c1-2/h2H2/q+2;
    IPPVBHWPMXOGAB-KWZUFQODAM    		 O|[Mn++]; [OH2][Mn+2] MANGANESE ION, 1 WATER COORDINATED
    29912 MW2 0 H4 Mn O2 InChI=1/Mn.2H2O/h;2*1H2/q
    +2;;/rH4MnO2/c2-1-3/h2-3H
    2/q+2;
    IPJKJLXEVHOKSE-HYVINZPUAF    		 O|[Mn++]|O; [OH2][Mn+2][OH2] MANGANESE DIHYDRATE ION
    29913 MW3 0 H6 Mn O3 InChI=1/Mn.3H2O/h;3*1H2/q
    +2;;;/rH6MnO3/c2-1(3)4/h2
    -4H2/q+2;
    UYHGDFOMPZDFNV-JGZLDITCAT    		 O|[Mn++](|O)|O; [OH2][Mn+2]([OH2])[OH2] MANGANESE ION, 3 WATERS COORDINATED
    29914 MW4
    CHEMBL4514380    		 1 C15 H18 Cl F N2 O3 InChI=1S/C15H18ClFN2O3/c1
    -2-22-15(21)19-7-3-4-10(9
    -19)14(20)18-11-5-6-12(16
    )13(17)8-11/h5-6,8,10H,2-
    4,7,9H2,1H3,(H,18,20)/t10
    -/m0/s1;
    WBCXRKGXRIKPBA-JTQLQIEISA-N    		 CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)
    F)Cl; c1c(ccc(c1F)Cl)NC(C2CCCN(C(OCC)=O)
    C2)=O; CCOC(=O)N1CCCC(C1)C(=O)Nc2ccc(c(c
    2)F)Cl; CCOC(=O)N1CCC[CH](C1)C(=O)Nc2ccc
    (Cl)c(F)c2; CCOC(=O)N1CCC[C@@H](C1)C(=O)
    Nc2ccc(Cl)c(F)c2    		 ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
    29915 MW5
    ZINC000103550359    		 1 C12 H9 Cl N4 O InChI=1S/C12H9ClN4O/c13-1
    0-9(6-8-4-2-1-3-5-8)11(18
    )17-12(16-10)14-7-15-17/h
    1-5,7H,6H2,(H,14,15,16);
    MQEBPOLOTAZMKF-UHFFFAOYSA-N    		 c1ccc(cc1)CC2=C(N=C3NC=NN3C2=O)Cl; ClC1=
    C(Cc2ccccc2)C(=O)N3N=CNC3=N1; ClC=2N=C1N
    C=NN1C(=O)C=2Cc3ccccc3    		 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
    29916 MW6 2 C12 H14 N2 O2 S InChI=1S/C12H14N2O2S/c13-
    9-2-1-3-10(6-9)17-7-8-4-5
    -11(15)14-12(8)16/h1-3,6,
    8H,4-5,7,13H2,(H,14,15,16
    )/t8-/m1/s1;
    YGPLIXYOXPSSRZ-MRVPVSSYSA-N    		 Nc1cccc(SC[C@H]2CCC(=O)NC2=O)c1; c1cc(cc
    (c1)SCC2CCC(=O)NC2=O)N; Nc1cccc(SC[CH]2C
    CC(=O)NC2=O)c1; c1cc(cc(c1)SC[C@H]2CCC(=
    O)NC2=O)N    		 (3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione
    29917 MW7
    ZINC000000162323    		 2 C9 H8 O2 InChI=1S/C9H8O2/c1-2-7-3-
    5-8(6-4-7)9(10)11/h2-6H,1
    H2,(H,10,11);
    IRQWEODKXLDORP-UHFFFAOYSA-N    		 C=Cc1ccc(cc1)C(=O)O; OC(=O)c1ccc(C=C)cc1
    ; C=[C@H]c1ccc(cc1)C(O)=O    		 4-ethenylbenzoic acid
    29918 MW8 6 C27 H25 Br N4 O2 InChI=1S/C27H25BrN4O2/c28
    -21-6-4-20(5-7-21)25-12-1
    3-26(34-25)27(33)32(19-22
    -3-1-2-14-30-22)24-10-8-2
    3(9-11-24)31-17-15-29-16-
    18-31/h1-14,29H,15-19H2;
    PCNCJMARSZPFSS-UHFFFAOYSA-N    		 Brc1ccc(cc1)c2oc(cc2)C(=O)N(Cc3ccccn3)c4
    ccc(cc4)N5CCNCC5; c1ccnc(c1)CN(c2ccc(cc2
    )N3CCNCC3)C(=O)c4ccc(o4)c5ccc(cc5)Br    		 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide
    29919 MW9
    ZINC000032838482    		 9 C42 H81 O10 P InChI=1S/C42H81O10P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-33-41(45)49
    -37-40(38-51-53(47,48)50-
    36-39(44)35-43)52-42(46)3
    4-32-30-28-26-24-22-20-18
    -16-14-12-10-8-6-4-2/h18,
    20,39-40,43-44H,3-17,19,2
    1-38H2,1-2H3,(H,47,48)/b2
    0-18-/t39-,40+/m0/s1;
    ZEFGRNLJASLRBZ-QIJYXWHJSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(
    CO)O)OC(=O)CCCCCCCC=CCCCCCCCC; O=C(OC(CO
    P(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCCC
    C)CCCCCCC/C=C\CCCCCCCC; CCCCCCCCCCCCCCCC
    CC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(
    =O)CCCCCCCC=CCCCCCCCC; CCCCCCCCCCCCCCCCC
    C(=O)OC[C@H](CO[P](O)(=O)OC[C@@H](O)CO)O
    C(=O)CCCCCCC\C=C/CCCCCCCC; CCCCCCCCCCCCC
    CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)
    OC(=O)CCCCCCC/C=C\CCCCCCCC    		 (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate;
    1-stearoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)
    29920 MWA
    CHEMBL4468918    		 1 C13 H16 Cl F N2 O3 S InChI=1S/C13H16ClFN2O3S/c
    1-21(19,20)17-6-2-3-9(8-1
    7)13(18)16-10-4-5-11(14)1
    2(15)7-10/h4-5,7,9H,2-3,6
    ,8H2,1H3,(H,16,18)/t9-/m0
    /s1;
    GRRLMNOEYDEZJF-VIFPVBQESA-N    		 C[S](=O)(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)
    c(F)c2; c2(NC(C1CN(CCC1)S(C)(=O)=O)=O)cc
    c(c(c2)F)Cl; CS(=O)(=O)N1CCC[C@@H](C1)C(
    =O)Nc2ccc(c(c2)F)Cl; C[S](=O)(=O)N1CCC[C
    @@H](C1)C(=O)Nc2ccc(Cl)c(F)c2; CS(=O)(=O
    )N1CCCC(C1)C(=O)Nc2ccc(c(c2)F)Cl    		 (3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
    29921 MWB
    CHEMBL242102
    ZINC000013836783    		 0 C18 H21 N7 InChI=1S/C18H21N7/c1-5-15
    (24-17-19-9-10-20-17)6-2-
    13(1)23-14-3-7-16(8-4-14)
    25-18-21-11-12-22-18/h1-8
    ,23H,9-12H2,(H2,19,20,24)
    (H2,21,22,25);
    AJWTXSLKVJNYAB-UHFFFAOYSA-N    		 C1CN=C(N1)Nc2ccc(Nc3ccc(NC4=NCCN4)cc3)cc
    2; N4=C(Nc3ccc(Nc2ccc(NC1=NCCN1)cc2)cc3)
    NCC4; c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=
    NCCN4    		 N1-(4,5-dihydro-1H-imidazol-2-yl)-N4-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine;
    CD27
    29922 MWC 2 C6 H9 N O4 InChI=1S/C6H9NO4/c1-5-2-3
    -6(11-5)4-10-7(8)9/h2-3,8
    -9H,4H2,1H3;
    SOQIEJLVISKOKS-UHFFFAOYSA-N    		 Cc1ccc(o1)CON(O)O; Cc1oc(CON(O)O)cc1; ON
    (O)OCc1ccc(C)o1    		 dihydroxy[(5-methylfuran-2-yl)methoxy]amine
    29923 MWD
    CHEMBL4463907    		 1 C16 H21 Cl F N3 O2 InChI=1S/C16H21ClFN3O2/c1
    -2-7-19-16(23)21-8-3-4-11
    (10-21)15(22)20-12-5-6-13
    (17)14(18)9-12/h5-6,9,11H
    ,2-4,7-8,10H2,1H3,(H,19,2
    3)(H,20,22)/t11-/m0/s1;
    YXSFKFUFRNSJGC-NSHDSACASA-N    		 CCCNC(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)c(F
    )c2; O=C(C1CCCN(C(NCCC)=O)C1)Nc2ccc(c(c2
    )F)Cl; CCCNC(=O)N1CCC[C@@H](C1)C(=O)Nc2c
    cc(c(c2)F)Cl; CCCNC(=O)N1CCC[C@@H](C1)C(
    =O)Nc2ccc(Cl)c(F)c2; CCCNC(=O)N1CCCC(C1)
    C(=O)Nc2ccc(c(c2)F)Cl    		 (3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
    29924 MWF 1 C18 H19 F2 N5 O4 InChI=1S/C18H19F2N5O4/c1-
    9(16(21)26)22-10-2-3-11-1
    3(6-10)28-5-4-24-7-14(23-
    17(11)24)25-12(15(19)20)8
    -29-18(25)27/h2-3,6-7,9,1
    2,15,22H,4-5,8H2,1H3,(H2,
    21,26)/t9-,12+/m1/s1;
    SGEUNORSOZVTOL-SKDRFNHKSA-N    		 C[CH](Nc1ccc2c(OCCn3cc(nc23)N4[CH](COC4=
    O)C(F)F)c1)C(N)=O; C[C@H](C(=O)N)Nc1ccc-
    2c(c1)OCCn3c2nc(c3)N4[C@@H](COC4=O)C(F)F
    ; CC(C(=O)N)Nc1ccc-2c(c1)OCCn3c2nc(c3)N4
    C(COC4=O)C(F)F; C[C@@H](Nc1ccc2c(OCCn3cc
    (nc23)N4[C@@H](COC4=O)C(F)F)c1)C(N)=O    		 (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide;
    Inavolisib
    29925 MWG 1 C10 H18 F2 O7 P2 InChI=1S/C10H18F2O7P2/c1-
    3-10(2,6-4-5-9(7-11)8-12)
    18-21(16,17)19-20(13,14)1
    5/h3,5H,1,4,6-8H2,2H3,(H,
    16,17)(H2,13,14,15)/t10-/
    m0/s1;
    POYBZGMZDXIMIL-JTQLQIEISA-N    		 C[C@](CCC=C(CF)CF)(O[P](O)(=O)O[P](O)(O)
    =O)C=C; C[C@@](CCC=C(CF)CF)(C=C)OP(=O)(O
    )OP(=O)(O)O; C=C/C(C)(CC\C=C(/CF)CF)OP(=
    O)(O)OP(O)(O)=O; CC(CCC=C(CF)CF)(C=C)OP(
    =O)(O)OP(=O)(O)O; C[C](CCC=C(CF)CF)(O[P]
    (O)(=O)O[P](O)(O)=O)C=C    		 (3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate
    29926 MWH 1 C42 H39 Cl N6 O7 S InChI=1S/C42H39ClN6O7S/c4
    3-36-5-2-1-4-34(36)38-6-3
    -19-48(38)31-10-7-28(8-11
    -31)29-9-13-35(40(23-29)5
    6-32-22-30-15-18-44-41(30
    )46-26-32)42(50)47-57(53,
    54)33-12-14-37(39(24-33)4
    9(51)52)45-25-27-16-20-55
    -21-17-27/h1-2,4-5,7-15,1
    8,22-24,26-27,38,45H,3,6,
    16-17,19-21,25H2,(H,44,46
    )(H,47,50)/t38-/m0/s1;
    SMXXGDKPPGHBSW-LHEWISCISA-N    		 c1ccc(c(c1)[C@@H]2CCCN2c3ccc(cc3)c4ccc(c
    (c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7c
    cc(c(c7)[N+](=O)[O-])NCC8CCOCC8)Cl; [O-]
    [N+](=O)c1cc(ccc1NCC2CCOCC2)[S](=O)(=O)N
    C(=O)c3ccc(cc3Oc4cnc5[nH]ccc5c4)c6ccc(cc
    6)N7CCC[C@H]7c8ccccc8Cl; [O-][N+](=O)c1c
    c(ccc1NCC2CCOCC2)[S](=O)(=O)NC(=O)c3ccc(
    cc3Oc4cnc5[nH]ccc5c4)c6ccc(cc6)N7CCC[CH]
    7c8ccccc8Cl; c1ccc(c(c1)C2CCCN2c3ccc(cc3
    )c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O
    )(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)
    Cl    		 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
    29927 MWI
    CHEMBL356301
    ZINC000003812598    		 4 C23 H32 N4 O4 InChI=1S/C23H32N4O4/c1-26
    -14-18-12-17(2-3-19(18)25
    -20(23(26)31)13-21(28)29)
    22(30)27-10-6-16(7-11-27)
    15-4-8-24-9-5-15/h2-3,12,
    15-16,20,24-25H,4-11,13-1
    4H2,1H3,(H,28,29)/t20-/m0
    /s1;
    PYZOVVQJTLOHDG-FQEVSTJZSA-N    		 CN1Cc2cc(ccc2N[CH](CC(O)=O)C1=O)C(=O)N3C
    CC(CC3)C4CCNCC4; CN1Cc2cc(ccc2NC(C1=O)CC
    (=O)O)C(=O)N3CCC(CC3)C4CCNCC4; CN1Cc2cc(
    ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N3CCC(CC3)
    C4CCNCC4; O=C(c1ccc2NC(CC(=O)O)C(=O)N(C)
    Cc2c1)N1CCC(CC1)C1CCNCC1; CN1Cc2cc(ccc2N
    [C@H](C1=O)CC(=O)O)C(=O)N3CCC(CC3)C4CCNC
    C4    		 Lotrafiban;
    [(2S)-7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid
    29928 MWJ
    CHEMBL224022
    ZINC000000054688    		 8 C7 H7 Br O InChI=1S/C7H7BrO/c1-5-4-6
    (8)2-3-7(5)9/h2-4,9H,1H3;
    IWJGMJHAIUBWKT-UHFFFAOYSA-N    		 c1cc(cc(C)c1O)Br; Cc1cc(ccc1O)Br; Cc1cc(
    Br)ccc1O    		 4-bromo-2-methylphenol
    29929 MWL
    CHEMBL4632881
    ZINC000043197356    		 2 C23 H21 N7 InChI=1S/C23H21N7/c1-2-5-
    19(6-3-1)22-20(18-7-11-24
    -12-8-18)17-21(27-28-22)2
    9-13-15-30(16-14-29)23-25
    -9-4-10-26-23/h1-12,17H,1
    3-16H2;
    OAXXZZBGZDNSGE-UHFFFAOYSA-N    		 C1CN(CCN1c2cc(c3ccncc3)c(nn2)c4ccccc4)c5
    ncccn5; n1cccnc1N5CCN(c4nnc(c2ccccc2)c(c
    3ccncc3)c4)CC5; c1ccc(cc1)c2c(cc(nn2)N3C
    CN(CC3)c4ncccn4)c5ccncc5    		 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
    29930 MWM
    CHEMBL224550
    ZINC000000389593    		 2 C7 H7 F O InChI=1S/C7H7FO/c1-5-4-6(
    8)2-3-7(5)9/h2-4,9H,1H3;
    GKQDDKKGDIVDAG-UHFFFAOYSA-N    		 Cc1cc(F)ccc1O; Cc1c(O)ccc(c1)F; Cc1cc(cc
    c1O)F    		 4-fluoro-2-methylphenol
    29931 MWN 1 C10 H8 Br N O4 InChI=1S/C10H8BrNO4/c1-16
    -10(15)6-3-4(11)2-5-7(6)1
    2-9(14)8(5)13/h2-3,8,13H,
    1H3,(H,12,14)/t8-/m1/s1;
    CLECANRFNXEJLT-MRVPVSSYSA-N    		 COC(=O)c1cc(Br)cc2[CH](O)C(=O)Nc12; COC(
    =O)c1cc(cc2c1NC(=O)[C@@H]2O)Br; COC(=O)c
    1cc(cc2c1NC(=O)C2O)Br; O=C(OC)c1cc(Br)cc
    2c1NC(=O)C2O; COC(=O)c1cc(Br)cc2[C@@H](O
    )C(=O)Nc12    		 methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
    29932 MWO 4 C15 H26 N4 O3 InChI=1S/C15H26N4O3/c20-1
    5(21)11-19-7-5-18(6-8-19)
    10-13-9-14(17-22-13)12-1-
    3-16-4-2-12/h12-13,16H,1-
    11H2,(H,20,21)/t13-/m0/s1;
    MFCBVLDAOOBZRT-ZDUSSCGKSA-N    		 C1CNCCC1C2=NO[C@@H](C2)CN3CCN(CC3)CC(=O)
    O; O=C(O)CN1CCN(CC1)CC1CC(=NO1)C1CCNCC1;
    OC(=O)CN1CCN(CC1)C[C@@H]2CC(=NO2)C3CCNC
    C3; C1CNCCC1C2=NOC(C2)CN3CCN(CC3)CC(=O)O
    ; OC(=O)CN1CCN(CC1)C[CH]2CC(=NO2)C3CCNCC
    3    		 (4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid
    29933 MWP
    ZINC000000162015    		 2 C8 H7 N O2 S InChI=1S/C8H7NO2S/c9-7-2-
    1-6-3-4-12(10,11)8(6)5-7/
    h1-5H,9H2;
    KRUCRVZSHWOMHC-UHFFFAOYSA-N    		 O=S2(=O)c1cc(ccc1C=C2)N; c1cc2c(cc1N)S(=
    O)(=O)C=C2; Nc1ccc2C=C[S](=O)(=O)c2c1    		 1-benzothiophen-6-amine 1,1-dioxide;
    6-amino-benzothiophene-1,1-dione
    29934 MWQ
    CHEMBL84253
    ZINC000091688852    		 1 C6 H8 N2 O2 InChI=1S/C6H8N2O2/c9-6(10
    )2-1-5-3-7-4-8-5/h3-4H,1-
    2H2,(H,7,8)(H,9,10);
    ZCKYOWGFRHAZIQ-UHFFFAOYSA-N    		 OC(=O)CCc1[nH]cnc1; c1c([nH]cn1)CCC(=O)O 3-(1~{H}-imidazol-5-yl)propanoic acid
    29935 MWR 1 C18 H14 Cl N O3 InChI=1S/C18H14ClNO3/c19-
    16-7-6-13(12-20-9-8-14(21
    )11-18(20)22)10-17(16)23-
    15-4-2-1-3-5-15/h1-11,21H
    ,12H2;
    LXDAHZFNSUJXEJ-UHFFFAOYSA-N    		 Clc1ccc(cc1Oc1ccccc1)CN1C=CC(O)=CC1=O; c
    1ccc(cc1)Oc2cc(ccc2Cl)CN3C=CC(=CC3=O)O;
    OC1=CC(=O)N(Cc2ccc(Cl)c(Oc3ccccc3)c2)C=C
    1    		 1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2(1H)-one
    29936 MWS 1 C21 H24 O6 InChI=1S/C21H24O6/c1-13(4
    -6-18(22)21(2,3)24)8-10-2
    6-20-14-5-7-19(23)27-17(1
    4)12-16-15(20)9-11-25-16/
    h5,7-9,11-12,18,22,24H,4,
    6,10H2,1-3H3/b13-8-/t18-/
    m0/s1;
    IXZUPBUEKFXTSD-ZHJQRIIBSA-N    		 [C@H](COc2c1c(OC(C=C1)=O)cc3c2cco3)=C(C)
    CCC(C(C)(C)O)O; C\C(CC[C@H](O)C(C)(C)O)=
    C\COc1c2ccoc2cc3OC(=O)C=Cc13; CC(=CCOc1c
    2ccoc2cc3c1C=CC(=O)O3)CCC(C(C)(C)O)O; C/
    C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/CC[C@@H
    ](C(C)(C)O)O; CC(CC[CH](O)C(C)(C)O)=CCOc
    1c2ccoc2cc3OC(=O)C=Cc13    		 4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one
    29937 MWT
    CHEMBL5315479    		 1 C29 H36 N7 O2 S InChI=1S/C29H35N7O2S/c1-3
    4-25(9-5-6-14-30)20-36(33
    -34)24-12-13-26(27(19-24)
    38-18-17-35-16-15-31-29(3
    5)37)28-32-23(21-39-28)11
    -10-22-7-3-2-4-8-22/h2-4,
    7-8,12-13,19-21H,5-6,9-11
    ,14-18,30H2,1H3/p+1;
    OPGOAZPEMDHEOI-UHFFFAOYSA-O    		 C[n+]1c(cn(n1)c2ccc(c(c2)OCCN3CCNC3=O)c4
    nc(cs4)CCc5ccccc5)CCCCN; C[n+]1nn(cc1CCC
    CN)c2ccc(c(OCCN3CCNC3=O)c2)c4scc(CCc5ccc
    cc5)n4    		 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one
    29938 MWU
    CHEMBL2426254
    ZINC000034027328    		 3 C8 H8 N2 O InChI=1S/C8H8N2O/c1-2-8(1
    1)10-7-5-3-4-6-9-7/h2-6H,
    1H2,(H,9,10,11);
    ZUKUBTGXSHTDHA-UHFFFAOYSA-N    		 C=CC(=O)Nc1ccccn1 ~{N}-pyridin-2-ylprop-2-enamide
    29939 MWV
    CHEMBL45816
    DB01388
    ZINC000003782486    		 2 C29 H38 F N3 O3 InChI=1S/C29H38FN3O3/c1-2
    0(2)28-23-12-11-22(30)18-
    21(23)13-14-29(28,36-27(3
    4)19-35-4)15-17-33(3)16-7
    -10-26-31-24-8-5-6-9-25(2
    4)32-26/h5-6,8-9,11-12,18
    ,20,28H,7,10,13-17,19H2,1
    -4H3,(H,31,32)/t28-,29-/m
    0/s1;
    HBNPJJILLOYFJU-VMPREFPWSA-N    		 CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3
    [nH]c4ccccc4n3)OC(=O)COC)F; COCC(OC1(C(c
    2c(CC1)cc(cc2)F)C(C)C)CCN(C)CCCc4nc3c(cc
    cc3)n4)=O; CC(C)C1c2ccc(cc2CCC1(CCN(C)CC
    Cc3[nH]c4ccccc4n3)OC(=O)COC)F; COCC(=O)O
    [C]1(CCN(C)CCCc2[nH]c3ccccc3n2)CCc4cc(F)
    ccc4[CH]1C(C)C; COCC(=O)O[C@]1(CCN(C)CCC
    c2[nH]c3ccccc3n2)CCc4cc(F)ccc4[C@@H]1C(C
    )C    		 (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate
    29940 MWW 1 C30 H38 N6 O S InChI=1S/C30H38N6OS/c31-1
    6-5-4-8-25-21-36(35-34-25
    )27-11-12-28(29(20-27)37-
    19-15-24-13-17-32-18-14-2
    4)30-33-26(22-38-30)10-9-
    23-6-2-1-3-7-23/h1-3,6-7,
    11-12,20-22,24,32H,4-5,8-
    10,13-19,31H2;
    YMQYETVMOWEEHG-UHFFFAOYSA-N    		 NCCCCc1cn(nn1)c2ccc(c(OCCC3CCNCC3)c2)c4s
    cc(CCc5ccccc5)n4; c1ccc(cc1)CCc2csc(n2)c
    3ccc(cc3OCCC4CCNCC4)n5cc(nn5)CCCCN    		 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine
    29941 MWX
    CHEMBL3085474
    DB06472    		 8 C20 H21 N3 O4 InChI=1S/C20H21N3O4/c21-1
    9(22)14-3-1-12(2-4-14)13-
    5-7-17(8-6-13)27-11-16-9-
    15(10-18(24)25)20(26)23-1
    6/h1-8,15-16H,9-11H2,(H3,
    21,22)(H,23,26)(H,24,25)/
    t15-,16-/m0/s1;
    IKZACQMAVUIGPY-HOTGVXAUSA-N    		 N=C(N)c1ccc(cc1)c1ccc(cc1)OCC1CC(CC(=O)O
    )C(=O)N1; [H]/N=C(\c1ccc(cc1)c2ccc(cc2)O
    C[C@@H]3C[C@H](C(=O)N3)CC(=O)O)/N; c1cc(
    ccc1c2ccc(cc2)OCC3CC(C(=O)N3)CC(=O)O)C(=
    N)N; NC(=N)c1ccc(cc1)c2ccc(OC[CH]3C[CH](
    CC(O)=O)C(=O)N3)cc2; NC(=N)c1ccc(cc1)c2c
    cc(OC[C@@H]3C[C@@H](CC(O)=O)C(=O)N3)cc2    		 Fradafiban;
    [(3S,5S)-5-{[(4'-carbamimidoyl[1,1'-biphenyl]-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid
    29942 MWY
    CHEMBL2103760
    ZINC000004214902    		 9 C24 H38 N4 O4 S InChI=1S/C24H38N4O4S/c1-6
    -22(4)11-16(32-17(30)12-3
    3-21-26-20(25)27-28-21)23
    (5)13(2)7-9-24(14(3)19(22
    )31)10-8-15(29)18(23)24/h
    13-14,16,18-19,31H,6-12H2
    ,1-5H3,(H3,25,26,27,28)/t
    13-,14+,16-,18+,19+,22-,2
    3+,24+/m1/s1;
    FMHQJXGMLMSMLC-WBUYAQKGSA-N    		 CC[C]1(C)C[CH](OC(=O)CSc2n[nH]c(N)n2)[C]
    3(C)[CH](C)CC[C]4(CCC(=O)[CH]34)[CH](C)[
    CH]1O; CCC1(CC(C2(C(CCC3(C2C(=O)CC3)C(C1
    O)C)C)C)OC(=O)CSc4nc([nH]n4)N)C; CC[C@@]
    1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(
    =O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CSc4nc
    ([nH]n4)N)C; CCC3(C)CC(OC(CSc1nnc(N)n1)=
    O)C2(C4C(CCC2C)(C(C3O)C)CCC4=O)C; CC[C@]
    1(C)C[C@@H](OC(=O)CSc2n[nH]c(N)n2)[C@]3(
    C)[C@H](C)CC[C@]4(CCC(=O)[C@@H]34)[C@@H]
    (C)[C@@H]1O    		 (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
    29943 MWZ
    CHEMBL5315925    		 1 C31 H41 N6 O S InChI=1S/C31H41N6OS/c1-36
    -28(9-5-6-17-32)22-37(35-
    36)27-12-13-29(30(21-27)3
    8-20-16-25-14-18-33-19-15
    -25)31-34-26(23-39-31)11-
    10-24-7-3-2-4-8-24/h2-4,7
    -8,12-13,21-23,25,33H,5-6
    ,9-11,14-20,32H2,1H3/q+1;
    HGXOIGOGRBONFR-UHFFFAOYSA-N    		 C[n+]1nn(cc1CCCCN)c2ccc(c(OCCC3CCNCC3)c2
    )c4scc(CCc5ccccc5)n4; C[n+]1c(cn(n1)c2cc
    c(c(c2)OCCC3CCNCC3)c4nc(cs4)CCc5ccccc5)C
    CCCN    		 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine
    29944 MX0 5 C13 H16 N2 O8 InChI=1S/C13H16N2O8/c1-5-
    4-23-12-13(22-3,14-8(16)6
    (2)9(17)18)11(21)15(12)7(
    5)10(19)20/h6,12H,4H2,1-3
    H3,(H,14,16)(H,17,18)(H,1
    9,20)/t6-,12-,13+/m1/s1;
    YBMCFSXASNJPNA-SMOQUIODSA-N    		 CC1=C(N2C(C(C2=O)(NC(=O)C(C)C(=O)O)OC)OC
    1)C(=O)O; O=C1N2C(=C(C)COC2C1(OC)NC(=O)C
    (C)C(=O)O)C(=O)O; CO[C]1(NC(=O)[CH](C)C(
    O)=O)[CH]2OCC(=C(N2C1=O)C(O)=O)C; CO[C@]
    1(NC(=O)[C@@H](C)C(O)=O)[C@H]2OCC(=C(N2C
    1=O)C(O)=O)C; CC1=C(N2[C@@H]([C@@](C2=O)
    (NC(=O)[C@@H](C)C(=O)O)OC)OC1)C(=O)O    		 (1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    29945 MX1
    ZINC000012504486    		 6 C18 H18 N2 O10 InChI=1S/C18H18N2O10/c1-8
    -7-30-16(19-12(8)15(25)26
    )18(29-2,17(27)28)20-13(2
    2)11(14(23)24)9-3-5-10(21
    )6-4-9/h3-6,11,16,21H,1,7
    H2,2H3,(H,20,22)(H,23,24)
    (H,25,26)(H,27,28)/t11-,1
    6-,18-/m1/s1;
    ZTOQXKUYWZBJLG-XNAIMREJSA-N    		 CO[C@]([C@@H]1N=C(C(=C)CO1)C(=O)O)(C(=O)
    O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O; O=C(O
    )C(c1ccc(O)cc1)C(=O)NC(OC)(C(=O)O)C2N=C(
    \C(=C)CO2)C(=O)O; COC(C1N=C(C(=C)CO1)C(=
    O)O)(C(=O)O)NC(=O)C(c2ccc(cc2)O)C(=O)O;
    CO[C](NC(=O)[CH](C(O)=O)c1ccc(O)cc1)([CH
    ]2OCC(=C)C(=N2)C(O)=O)C(O)=O; CO[C@](NC(
    =O)[C@H](C(O)=O)c1ccc(O)cc1)([C@H]2OCC(=
    C)C(=N2)C(O)=O)C(O)=O    		 (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID;
    MOXALACTAM (HYDROLYZED)
    29946 MX3
    ZINC000058650025    		 0 C14 H19 N3 O4 InChI=1S/C14H19N3O4/c1-16
    (9-11-5-3-2-4-6-11)12(18)
    7-8-13(19)17(15)10-14(20)
    21/h2-6H,7-10,15H2,1H3,(H
    ,20,21);
    WPWZLRZWAPNRKX-UHFFFAOYSA-N    		 CN(Cc1ccccc1)C(=O)CCC(=O)N(N)CC(O)=O; CN
    (Cc1ccccc1)C(=O)CCC(=O)N(CC(=O)O)N; O=C(
    O)CN(N)C(=O)CCC(=O)N(Cc1ccccc1)C    		 (1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID;
    AZA-ASPARTATE-N-BENZYL-N-METHYL-ACRYLAMIDE
    29947 MX4
    ZINC000058650027    		 0 C13 H16 N2 O5 InChI=1S/C13H16N2O5/c14-1
    5(8-12(17)18)11(16)6-7-13
    (19)20-9-10-4-2-1-3-5-10/
    h1-5H,6-9,14H2,(H,17,18);
    SRDUWAQDKBDRDT-UHFFFAOYSA-N    		 NN(CC(O)=O)C(=O)CCC(=O)OCc1ccccc1; O=C(O
    )CN(N)C(=O)CCC(=O)OCc1ccccc1; c1ccc(cc1)
    COC(=O)CCC(=O)N(CC(=O)O)N    		 {1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
    29948 MX5
    ZINC000058650028    		 0 C15 H19 N3 O4 InChI=1S/C15H19N3O4/c16-1
    8(10-15(21)22)14(20)8-7-1
    3(19)17-9-3-5-11-4-1-2-6-
    12(11)17/h1-2,4,6H,3,5,7-
    10,16H2,(H,21,22);
    YSHCCGXJNYTHDM-UHFFFAOYSA-N    		 NN(CC(O)=O)C(=O)CCC(=O)N1CCCc2ccccc12; O
    =C(O)CN(N)C(=O)CCC(=O)N2c1ccccc1CCC2; c1
    ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N    		 {1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID;
    {N-[(E)-4-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-4-OXO-BUT-2-ENOYL]-HYDRAZINO}-ACETIC ACID
    29949 MX7
    ZINC000085556566    		 1 C39 H73 O8 P InChI=1S/C39H73O8P/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-31-33-38(40)45-
    35-37(36-46-48(42,43)44)4
    7-39(41)34-32-30-28-26-24
    -22-20-18-16-14-12-10-8-6
    -4-2/h17-20,37H,3-16,21-3
    6H2,1-2H3,(H2,42,43,44)/b
    19-17-,20-18-/t37-/m1/s1;
    MHUWZNTUIIFHAS-DSSVUWSHSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O
    C(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCC\C=C/CC
    CCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CC
    CCCCC\C=C/CCCCCCCC; CCCCCCCCC=CCCCCCCCC(
    =O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCC=C
    CCCCCCCC; CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@
    H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCC
    C; O=C(OC(COP(=O)(O)O)COC(=O)CCCCCCC\C=C
    /CCCCCCCC)CCCCCCC\C=C/CCCCCCCC    		 (2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate;
    dioleoyl-phosphatidic acid
    29950 MX8
    CHEMBL4795671    		 1 C18 H28 N2 O4 InChI=1S/C18H28N2O4/c1-4-
    5-6-7-12-24-15-10-8-14(9-
    11-15)17(21)19-16(13(2)3)
    18(22)20-23/h8-11,13,16,2
    3H,4-7,12H2,1-3H3,(H,19,2
    1)(H,20,22)/t16-/m0/s1;
    GUGHZGUQZCBZHP-INIZCTEOSA-N    		 CCCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NO;
    CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O
    )NO; CCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C
    (=O)NO    		 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide
    29951 MX9 1 C17 H15 N O4 InChI=1S/C17H15NO4/c1-10-
    4-2-5-11(8-10)9-22-17(21)
    13-7-3-6-12-14(13)18-16(2
    0)15(12)19/h2-8,15,19H,9H
    2,1H3,(H,18,20)/t15-/m1/s
    1;
    BWTXNZHOZOMCDB-OAHLLOKOSA-N    		 Cc1cccc(c1)COC(=O)c2cccc3c2NC(=O)C3O; Cc
    1cccc(c1)COC(=O)c2cccc3c2NC(=O)[C@@H]3O;
    Cc1cccc(c1)COC(=O)c1cccc2c1NC(=O)C2O; C
    c1cccc(COC(=O)c2cccc3[CH](O)C(=O)Nc23)c1
    ; Cc1cccc(COC(=O)c2cccc3[C@@H](O)C(=O)Nc
    23)c1    		 (3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
    29952 MXA
    CHEMBL7492
    DB03695
    ZINC000000000640    		 2 C17 H19 N5 O2 InChI=1S/C17H19N5O2/c1-9-
    11(6-10-7-12(23-2)4-5-13(
    10)24-3)8-20-16-14(9)15(1
    8)21-17(19)22-16/h4-5,7-8
    H,6H2,1-3H3,(H4,18,19,20,
    21,22);
    VJXSSYDSOJBUAV-UHFFFAOYSA-N    		 n1cc(c(c2c1nc(nc2N)N)C)Cc3cc(OC)ccc3OC;
    COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1;
    Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC    		 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
    29953 MXB 1 C18 H21 N7 O2 InChI=1S/C18H21N7O2/c1-14
    -19-8-10-24(14)12-16-13-2
    5(23-22-16)9-7-17(21-18(2
    6)11-20-27)15-5-3-2-4-6-1
    5/h2-6,8,10-11,13,17,27H,
    7,9,12H2,1H3,(H,21,26)/b2
    0-11+/t17-/m1/s1;
    ZMAXDRHDDCRKQC-MLHZQLSASA-N    		 Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3
    )nn2; Cc1nccn1Cc2cn(nn2)CC[C@H](c3ccccc3
    )NC(=O)/C=N/O; Cc1nccn1Cc2cn(nn2)CCC(c3c
    cccc3)NC(=O)C=NO; Cc1nccn1Cc2cn(CC[C@@H]
    (NC(=O)\C=N\O)c3ccccc3)nn2    		 (R,E)-2-(hydroxyimino)-N-(3-(4-((2-methyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide;
    (2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide
    29954 MXC
    ZINC000058650896    		 2 C16 H18 N4 O8 S InChI=1S/C16H18N4O8S/c1-1
    6(29(26)27,7-28-15(18)25)
    11(14(23)24)19-13-9(6-21)
    5-10-4-8(12(17)22)2-3-20(
    10)13/h2-6,11,19H,7H2,1H3
    ,(H2,17,22)(H2,18,25)(H,2
    3,24)(H,26,27)/t11-,16-/m
    0/s1;
    WVRCRSIVCWLCEG-ZBEGNZNMSA-N    		 CC(COC(=O)N)(C(C(=O)O)Nc1c(cc2n1ccc(c2)C
    (=O)N)C=O)S(=O)O; C[C@](COC(=O)N)([C@H](
    C(=O)O)Nc1c(cc2n1ccc(c2)C(=O)N)C=O)[S@](
    =O)O; O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc
    1cc(ccn12)C(=O)N)C=O)N; C[C](COC(N)=O)([
    CH](Nc1n2ccc(cc2cc1C=O)C(N)=O)C(O)=O)[S]
    (O)=O; C[C@](COC(N)=O)([C@@H](Nc1n2ccc(c
    c2cc1C=O)C(N)=O)C(O)=O)[S@@](O)=O    		 (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid
    29955 MXD
    CHEMBL802
    DB00350
    ZINC000000001735    		 3 C9 H15 N5 O InChI=1S/C9H15N5O/c10-7-6
    -8(12-9(11)14(7)15)13-4-2
    -1-3-5-13/h6H,1-5,10H2,(H
    2,11,12);
    ZFMITUMMTDLWHR-UHFFFAOYSA-N    		 c1c([n+](c(nc1N2CCCCC2)N)[O-])N; Nc1cc(n
    c(N)[n+]1[O-])N2CCCCC2; [O-][n+]1c(nc(cc
    1N)N2CCCCC2)N    		 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE;
    MINOXIDIL
    29956 MXE
    CHEMBL444144
    DB02806
    ZINC000001591817    		 38 C3 H8 O2 InChI=1S/C3H8O2/c1-5-3-2-
    4/h4H,2-3H2,1H3;
    XNWFRZJHXBZDAG-UHFFFAOYSA-N    		 COCCO; OCCOC 2-METHOXYETHANOL
    29957 MXF
    ZINC000058650143    		 2 C17 H22 N4 O7 S InChI=1S/C17H22N4O7S/c1-1
    7(29(26)27,10-28-16(25)19
    -6-5-18)13(15(23)24)20-14
    -11(9-22)8-12-4-2-3-7-21(
    12)14/h2-4,7-9,13,20H,5-6
    ,10,18H2,1H3,(H,19,25)(H,
    23,24)(H,26,27)/t13-,17-/
    m0/s1;
    UGXGYKKZKHIUJW-GUYCJALGSA-N    		 CC(COC(=O)NCCN)(C(C(=O)O)Nc1c(cc2n1cccc2
    )C=O)S(=O)O; C[C](COC(=O)NCCN)([CH](Nc1n
    2ccccc2cc1C=O)C(O)=O)[S](O)=O; C[C@](COC
    (=O)NCCN)([C@@H](Nc1n2ccccc2cc1C=O)C(O)=
    O)[S](O)=O; C[C@](COC(=O)NCCN)([C@H](C(=
    O)O)Nc1c(cc2n1cccc2)C=O)[S@](=O)O; O=C(O
    )C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=
    O)NCCN    		 (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid;
    penam sulfone SA3-53, open form
    29958 MXG
    ZINC000015853296    		 2 C24 H36 N6 O9 S InChI=1S/C24H36N6O9S/c1-1
    2-11-40-22(30-19(12)24(38
    )39)17(10-31)29-21(35)15(
    6-4-5-9-25)27-18(33)8-7-1
    6(23(36)37)28-20(34)13(2)
    26-14(3)32/h10,13,15-17,2
    2H,1,4-9,11,25H2,2-3H3,(H
    ,26,32)(H,27,33)(H,28,34)
    (H,29,35)(H,36,37)(H,38,3
    9)/t13-,15-,16+,17+,22+/m
    0/s1;
    BZBLEHRBZDVRSG-JKCYHXNASA-N    		 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN
    )C(=O)N[C@H](C=O)[C@@H]1N=C(C(=C)CS1)C(=
    O)O)C(=O)O)NC(=O)C; CC(C(=O)NC(CCC(=O)NC
    (CCCCN)C(=O)NC(C=O)C1N=C(C(=C)CS1)C(=O)O
    )C(=O)O)NC(=O)C; O=C(NC(C(=O)NC(C(=O)O)C
    CC(=O)NC(C(=O)NC(C=O)C1N=C(\C(=C)CS1)C(=
    O)O)CCCCN)C)C; C[CH](NC(C)=O)C(=O)N[CH](
    CCC(=O)N[CH](CCCCN)C(=O)N[CH](C=O)[CH]1S
    CC(=C)C(=N1)C(O)=O)C(O)=O; C[C@H](NC(C)=
    O)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)
    N[C@H](C=O)[C@H]1SCC(=C)C(=N1)C(O)=O)C(O
    )=O    		 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
    29959 MXH
    CHEMBL5206845    		 2 C33 H41 F N6 O5 S InChI=1S/C33H41FN6O5S/c1-
    33(2,3)38-32(43)37-26-12-
    14-40(15-13-26)31(42)29(1
    7-21-6-4-8-24(16-21)30(35
    )36)39-46(44,45)27-9-5-7-
    22(18-27)23-10-11-25(20-4
    1)28(34)19-23/h4-11,16,18
    -19,26,29,39,41H,12-15,17
    ,20H2,1-3H3,(H3,35,36)(H2
    ,37,38,43)/t29-/m0/s1;
    FQLCVDCDDCIBQS-LJAQVGFWSA-N    		 CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)C(Cc2cccc(
    c2)C(=N)N)NS(=O)(=O)c3cccc(c3)c4ccc(c(c4
    )F)CO; CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[C@
    H](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(
    c3)c4ccc(CO)c(F)c4; [H]/N=C(/c1cccc(c1)C
    [C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS
    (=O)(=O)c3cccc(c3)c4ccc(c(c4)F)CO)\N; CC
    (C)(C)NC(=O)NC1CCN(CC1)C(=O)[CH](Cc2cccc
    (c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4ccc(C
    O)c(F)c4    		 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea;
    (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-ox opropyl)benzimidamide
    29960 MXI
    CHEMBL2030513
    ZINC000084757694    		 6 C23 H24 N4 O InChI=1S/C23H24N4O/c1-23(
    2,3)22-26-20(21(27-22)17-
    9-10-25-19(24)13-17)16-6-
    5-15-12-18(28-4)8-7-14(15
    )11-16/h5-13H,1-4H3,(H2,2
    4,25)(H,26,27);
    KTHRIEHJGYTJED-UHFFFAOYSA-N    		 COc1ccc2cc(ccc2c1)c3nc([nH]c3c4ccnc(N)c4
    )C(C)(C)C; CC(C)(C)c1[nH]c(c(n1)c2ccc3cc
    (ccc3c2)OC)c4ccnc(c4)N    		 4-(2-TERT-BUTYL-4-(6-METHOXYNAPHTHALEN-2-YL)-3H-IMIDAZOL-4-YL)PYRIDIN-2-AMINE
    29961 MXJ
    CHEMBL4475795    		 1 C16 H22 Cl F N4 O2 InChI=1S/C16H22ClFN4O2/c1
    -2-5-20-16(24)22-8-10(6-1
    1(19)9-22)15(23)21-12-3-4
    -13(17)14(18)7-12/h3-4,7,
    10-11H,2,5-6,8-9,19H2,1H3
    ,(H,20,24)(H,21,23)/t10-,
    11+/m0/s1;
    HYGODLCYAHQHCD-WDEREUQCSA-N    		 CCCNC(=O)N2CC(C(Nc1cc(F)c(Cl)cc1)=O)CC(C
    2)N; CCCNC(=O)N1CC(CC(C1)N)C(=O)Nc2ccc(c
    (c2)F)Cl; CCCNC(=O)N1C[C@H](N)C[C@@H](C1
    )C(=O)Nc2ccc(Cl)c(F)c2; CCCNC(=O)N1C[CH]
    (N)C[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2; CCCNC
    (=O)N1C[C@H](C[C@H](C1)N)C(=O)Nc2ccc(c(c
    2)F)Cl    		 (3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
    29962 MXK 1 C18 H21 N7 O2 InChI=1S/C18H21N7O2/c1-14
    -19-8-10-24(14)12-16-13-2
    5(23-22-16)9-7-17(21-18(2
    6)11-20-27)15-5-3-2-4-6-1
    5/h2-6,8,10-11,13,17,27H,
    7,9,12H2,1H3,(H,21,26)/b2
    0-11+/t17-/m0/s1;
    ZMAXDRHDDCRKQC-PBGVMVHZSA-N    		 Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3
    )nn2; Cc1nccn1Cc2cn(CC[C@H](NC(=O)\C=N\O
    )c3ccccc3)nn2; Cc1nccn1Cc2cn(nn2)CCC(c3c
    cccc3)NC(=O)C=NO; Cc1nccn1Cc2cn(nn2)CC[C
    @@H](c3ccccc3)NC(=O)/C=N/O    		 (2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid e;
    2-(N-hydroxyimino)-N-[(1S)-3-{4-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-1- phenylpropyl]acetamide
    29963 MXL
    CHEMBL519374
    DB04342
    ZINC000003831157    		 0 C20 H20 N6 O9 S InChI=1S/C20H20N6O9S/c1-2
    5-19(22-23-24-25)36-8-10-
    7-35-18-20(34-2,17(33)26(
    18)13(10)16(31)32)21-14(2
    8)12(15(29)30)9-3-5-11(27
    )6-4-9/h3-6,12,18,27H,7-8
    H2,1-2H3,(H,21,28)(H,29,3
    0)(H,31,32)/t12-,18-,20+/
    m1/s1;
    JWCSIUVGFCSJCK-LIUKBUMOSA-N    		 Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC
    (=O)[C@@H](c4ccc(cc4)O)C(=O)O)OC)OC2)C(=
    O)O; Cn1c(nnn1)SCC2=C(N3C(C(C3=O)(NC(=O)
    C(c4ccc(cc4)O)C(=O)O)OC)OC2)C(=O)O; O=C2
    N1C(=C(COC1C2(OC)NC(=O)C(c3ccc(O)cc3)C(=
    O)O)CSc4nnnn4C)C(=O)O; CO[C]1(NC(=O)[CH]
    (C(O)=O)c2ccc(O)cc2)[CH]3OCC(=C(N3C1=O)C
    (O)=O)CSc4nnnn4C; CO[C@]1(NC(=O)[C@H](C(
    O)=O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(O
    )=O)CSc4nnnn4C    		 MOXALACTAM;
    7-((CARBOXY(4-HYDROXYPHENYL)ACETYL)AMINO)-7-METHOXY-(3-((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-OXA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
    29964 MXM
    CHEMBL599
    DB00814
    ZINC000013129998    		 6 C14 H13 N3 O4 S2 InChI=1S/C14H13N3O4S2/c1-
    8-7-15-14(22-8)16-13(19)1
    1-12(18)9-5-3-4-6-10(9)23
    (20,21)17(11)2/h3-7,18H,1
    -2H3,(H,15,16,19);
    ZRVUJXDFFKFLMG-UHFFFAOYSA-N    		 CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3sc(
    C)cn3; O=C(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(
    =O)(=O)N3C; Cc1cnc(s1)NC(=O)C2=C(c3ccccc
    3S(=O)(=O)N2C)O    		 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide;
    Meloxicam
    29965 MXN
    ZINC000008100870    		 24 C8 H7 N O InChI=1S/C8H7NO/c9-6-8(10
    )7-4-2-1-3-5-7/h1-5,8,10H
    /t8-/m0/s1;
    NNICRUQPODTGRU-QMMMGPOBSA-N    		 O[CH](C#N)c1ccccc1; O[C@@H](C#N)c1ccccc1
    ; c1ccc(cc1)C(C#N)O; N#CC(O)c1ccccc1; c1
    ccc(cc1)[C@H](C#N)O    		 (2R)-hydroxy(phenyl)ethanenitrile;
    (R)-mandelonitrile
    29966 MXO 1 C18 H20 N6 O3 S InChI=1S/C18H20N6O3S/c1-2
    8(26,27)22-15-4-2-14(3-5-
    15)12-18(25)24-10-8-23(9-
    11-24)17-7-6-16(13-19)20-
    21-17/h2-7,22H,8-12H2,1H3;
    LHSUDPHLKGVUSJ-UHFFFAOYSA-N    		 O=C(Cc1ccc(NS(C)(=O)=O)cc1)N1CCN(CC1)c1c
    cc(C#N)nn1; C[S](=O)(=O)Nc1ccc(CC(=O)N2C
    CN(CC2)c3ccc(nn3)C#N)cc1; CS(=O)(=O)Nc1c
    cc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N    		 N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide
    29967 MXP
    CHEMBL184023
    DB08226
    ZINC000028382402    		 4 C23 H31 N O6 InChI=1S/C23H31NO6/c1-5-6
    -10-16(2)12-13-17(3)21(26
    )20-19(25)15-18(30-22(20)
    27)11-8-7-9-14-24-23(28)2
    9-4/h9,12-15,25H,5-8,10-1
    1H2,1-4H3,(H,24,28)/b14-9
    +,16-12+,17-13+;
    QBIHIGNYQFSBGW-NOTXRLOZSA-N    		 CCCCC(=CC=C(C)C(=O)C1=C(C=C(OC1=O)CCCC=C
    NC(=O)OC)O)C; CCCCC(C)=CC=C(C)C(=O)C1=C(
    O)C=C(CCCC=CNC(=O)OC)OC1=O; CCCC/C(C)=C/
    C=C(C)/C(=O)C1=C(O)C=C(CCC\C=C\NC(=O)OC)
    OC1=O; CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(O
    C1=O)CCC\C=C\NC(=O)OC)O)/C; O=C(C1=C(O)C
    =C(OC1=O)CCC\C=C\NC(=O)OC)\C(=C\C=C(/C)C
    CCC)C    		 Myxopyronin B;
    methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate
    29968 MXQ 20 C14 H20 N2 O2 InChI=1S/C14H20N2O2/c17-5
    -1-2-11-3-4-13-12-6-10(7-
    15-8-12)9-16(13)14(11)18/
    h3-4,10,12,15,17H,1-2,5-9
    H2/t10-,12+/m0/s1;
    JXEXVCIRYVIYEW-CMPLNLGQSA-N    		 C1C2CNCC1C3=CC=C(C(=O)N3C2)CCCO; C1[C@H]
    2CNC[C@@H]1C3=CC=C(C(=O)N3C2)CCCO; OCCCC
    1=CC=C2[CH]3CNC[CH](C3)CN2C1=O; OCCCC1=C
    C=C2[C@H]3CNC[C@H](C3)CN2C1=O    		 (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
    29969 MXR
    ZINC000098209193    		 5 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
    3,15,18,22H,5-6H2,1-4H3,(
    H,24,25)/t8-,9-,10+,11-,1
    2-,13-,15+/m1/s1;
    UUIYVKJXUXGPKB-DKLFCYGSSA-N    		 CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)
    C(=O)N(C)C; O=C(O)C2=NC(C(C2SC1CC(C(=O)N
    (C)C)NC1)C)C(C=O)C(O)C; C[CH](O)[CH](C=O
    )[CH]1N=C([CH](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]1N=C([C@@H](S[C@@H]2CN[C@H](C2)C(=O)
    N(C)C)[C@@H]1C)C(O)=O; C[C@H]1[C@@H](C(=
    N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H
    ]2C[C@@H](NC2)C(=O)N(C)C    		 (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid;
    meropenem bound form (tautomerism)
    29970 MXS
    ZINC000058650899    		 1 C16 H19 N3 O7 S InChI=1S/C16H19N3O7S/c1-1
    6(2,27(24)25)12(14(21)22)
    18-13-9(8-20)6-11-7-10(4-
    5-19(11)13)17-15(23)26-3/
    h4-8,12,18H,1-3H3,(H,17,2
    3)(H,21,22)(H,24,25)/t12-
    /m0/s1;
    NSEWARQIMLZRTO-LBPRGKRZSA-N    		 COC(=O)Nc1ccn2c(N[CH](C(O)=O)C(C)(C)[S](
    O)=O)c(C=O)cc2c1; COC(=O)Nc1ccn2c(N[C@@H
    ](C(O)=O)C(C)(C)[S@@](O)=O)c(C=O)cc2c1;
    O=C(O)C(Nc2c(cc1cc(ccn12)NC(=O)OC)C=O)C(
    S(=O)O)(C)C; CC(C)(C(C(=O)O)Nc1c(cc2n1cc
    c(c2)NC(=O)OC)C=O)S(=O)O; CC(C)([C@H](C(
    =O)O)Nc1c(cc2n1ccc(c2)NC(=O)OC)C=O)[S@](
    =O)O    		 (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid
    29971 MXT
    DB08227
    ZINC000005762138    		 2 C13 H22 N2 O3 InChI=1S/C13H22N2O3/c1-12
    (2)7-9(8-13(3,4)15(12)18)
    14-10(16)5-6-11(14)17/h9,
    18H,5-8H2,1-4H3;
    ZHMZILPINCAHPK-UHFFFAOYSA-N    		 CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C; CC1(
    C)CC(CC(C)(C)N1O)N2C(=O)CCC2=O; O=C1N(C(
    =O)CC1)C2CC(N(O)C(C)(C)C2)(C)C    		 1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE
    29972 MXU 4 C24 H35 N5 O7 InChI=1S/C24H35N5O7/c1-24
    (2,3)36-23(35)28-15-5-4-1
    0-29(22(15)34)17(11-13-6-
    7-13)21(33)27-16(18(30)19
    (25)31)12-14-8-9-26-20(14
    )32/h4-5,10,13-14,16-18,3
    0H,6-9,11-12H2,1-3H3,(H2,
    25,31)(H,26,32)(H,27,33)(
    H,28,35)/t14-,16-,17-,18+
    /m0/s1;
    WNCHATFCLSCVLN-LEUOFYLZSA-N    		 CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O
    )N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O;
    CC(C)(C)OC(=O)NC1=CC=CN([C@@H](CC2CC2)C
    (=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](O)C(N
    )=O)C1=O; CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C
    (CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)N)O; C
    C(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC
    2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=
    O)N)O    		 ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
    29973 MXV 2 C24 H22 N4 O3 InChI=1S/C24H22N4O3/c1-28
    -11-9-15-16(6-5-7-18(15)2
    8)24-26-17-8-10-25-21(22(
    17)27-24)14-12-19(29-2)23
    (31-4)20(13-14)30-3/h5-13
    H,1-4H3,(H,26,27);
    LCQATVJMJZBCON-UHFFFAOYSA-N    		 COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cc
    cc5n(C)ccc45; Cn1ccc2c1cccc2c3[nH]c4ccnc
    (c4n3)c5cc(c(c(c5)OC)OC)OC    		 2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine
    29974 MXW 1 C17 H20 Cl N5 O3 S InChI=1S/C17H20ClN5O3S/c1
    -27(25,26)21-14-4-2-13(3-
    5-14)12-17(24)23-10-8-22(
    9-11-23)16-7-6-15(18)19-2
    0-16/h2-7,21H,8-12H2,1H3;
    KYRURGWSFRSKIC-UHFFFAOYSA-N    		 CS(=O)(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3c
    cc(nn3)Cl; C[S](=O)(=O)Nc1ccc(CC(=O)N2CC
    N(CC2)c3ccc(Cl)nn3)cc1; O=C(Cc1ccc(NS(C)
    (=O)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1    		 N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide
    29975 MXX
    CHEMBL490867
    DB08228
    ZINC000001423886    		 4 C13 H15 N O3 InChI=1S/C13H15NO3/c1-8-7
    -11(15)14(2)13-10(17-4)6-
    5-9(16-3)12(8)13/h5-7H,1-
    4H3;
    FTGZPMFPUDKJBX-UHFFFAOYSA-N    		 COc1ccc(OC)c2C(=CC(=O)N(C)c12)C; O=C2C=C
    (c1c(OC)ccc(OC)c1N2C)C; CC1=CC(=O)N(c2c1
    c(ccc2OC)OC)C    		 5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
    29976 MXY
    DB03863    		 0 C7 H14 O5 InChI=1S/C7H14O5/c1-3-4(8
    )5(9)6(11-2)7(10)12-3/h3-
    10H,1-2H3/t3-,4+,5+,6-,7-
    /m0/s1;
    YLAMTMNJXPWCQN-XUVCUMPTSA-N    		 O(C)C1C(O)C(O)C(OC1O)C; C[C@H]1[C@H]([C@
    H]([C@@H]([C@H](O1)O)OC)O)O; CO[C@@H]1[C
    @@H](O)O[C@@H](C)[C@@H](O)[C@H]1O; CC1C(
    C(C(C(O1)O)OC)O)O; CO[CH]1[CH](O)O[CH](C
    )[CH](O)[CH]1O    		 2-O-methyl-beta-L-fucopyranose;
    2-O-METHYL FUCOSE;
    2-O-methyl-beta-L-fucose;
    2-O-methyl-L-fucose;
    2-O-methyl-fucose
    29977 MXZ
    DB04515    		 0 C7 H14 O5 InChI=1S/C7H14O5/c1-3-4(8
    )5(9)6(11-2)7(10)12-3/h3-
    10H,1-2H3/t3-,4+,5+,6-,7+
    /m0/s1;
    YLAMTMNJXPWCQN-CXNFULCWSA-N    		 O(C)C1C(O)C(O)C(OC1O)C; CO[C@@H]1[C@H](O
    )O[C@@H](C)[C@@H](O)[C@H]1O; CC1C(C(C(C(
    O1)O)OC)O)O; C[C@H]1[C@H]([C@H]([C@@H]([
    C@@H](O1)O)OC)O)O; CO[CH]1[CH](O)O[CH](C
    )[CH](O)[CH]1O    		 2-O-methyl-alpha-L-fucopyranose;
    6-DEOXY-2-O-METHYL-ALPHA-L-GALACTOPYRANOSE;
    2-O-methyl-alpha-L-fucose;
    2-O-methyl-L-fucose;
    2-O-methyl-fucose
    29978 MY0
    ZINC000098209194    		 0 C6 H10 N2 O6 InChI=1S/C6H10N2O6/c7-8(2
    -5(11)12)4(10)1-3(9)6(13)
    14/h3,9H,1-2,7H2,(H,11,12
    )(H,13,14)/t3-/m0/s1;
    HVEULRKNJMQVQC-VKHMYHEASA-N    		 C(C(C(=O)O)O)C(=O)N(CC(=O)O)N; O=C(N(N)C
    C(=O)O)CC(O)C(=O)O; C([C@@H](C(=O)O)O)C(
    =O)N(CC(=O)O)N; NN(CC(O)=O)C(=O)C[C@H](O
    )C(O)=O; NN(CC(O)=O)C(=O)C[CH](O)C(O)=O    		 (2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid
    29979 MY1
    DB08229
    ZINC000053683031    		 0 C20 H23 N3 O5 InChI=1S/C20H23N3O5/c21-2
    3(14-19(26)27)18(25)11-17
    (24)20(28)22(12-15-7-3-1-
    4-8-15)13-16-9-5-2-6-10-1
    6/h1-10,17,24H,11-14,21H2
    ,(H,26,27)/t17-/m0/s1;
    JGMMFVVACJREFE-KRWDZBQOSA-N    		 NN(CC(O)=O)C(=O)C[CH](O)C(=O)N(Cc1ccccc1
    )Cc2ccccc2; c1ccc(cc1)CN(Cc2ccccc2)C(=O)
    [C@H](CC(=O)N(CC(=O)O)N)O; O=C(O)CN(N)C(
    =O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2; NN(C
    C(O)=O)C(=O)C[C@H](O)C(=O)N(Cc1ccccc1)Cc
    2ccccc2; c1ccc(cc1)CN(Cc2ccccc2)C(=O)C(C
    C(=O)N(CC(=O)O)N)O    		 [N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID
    29980 MY2
    ZINC000058638796    		 0 C13 H16 N2 O6 InChI=1S/C13H16N2O6/c14-1
    5(7-12(18)19)11(17)6-10(1
    6)13(20)21-8-9-4-2-1-3-5-
    9/h1-5,10,16H,6-8,14H2,(H
    ,18,19)/t10-/m0/s1;
    VKMHPJLHWKEYJZ-JTQLQIEISA-N    		 NN(CC(O)=O)C(=O)C[CH](O)C(=O)OCc1ccccc1;
    c1ccc(cc1)COC(=O)[C@H](CC(=O)N(CC(=O)O)
    N)O; O=C(O)CN(N)C(=O)CC(O)C(=O)OCc1ccccc
    1; c1ccc(cc1)COC(=O)C(CC(=O)N(CC(=O)O)N)
    O; NN(CC(O)=O)C(=O)C[C@H](O)C(=O)OCc1ccc
    cc1    		 {1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
    29981 MY3
    ZINC000058649538    		 0 C13 H17 N3 O5 InChI=1S/C13H17N3O5/c14-1
    6(8-12(19)20)11(18)6-10(1
    7)13(21)15-7-9-4-2-1-3-5-
    9/h1-5,10,17H,6-8,14H2,(H
    ,15,21)(H,19,20)/t10-/m0/
    s1;
    ROPIKOKIAWFVJE-JTQLQIEISA-N    		 c1ccc(cc1)CNC(=O)C(CC(=O)N(CC(=O)O)N)O;
    NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCc1ccccc1;
    c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O)
    N)O; NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCc1c
    cccc1; O=C(O)CN(N)C(=O)CC(O)C(=O)NCc1ccc
    cc1    		 [N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO] - ACETIC ACID
    29982 MY4
    ZINC000058649540    		 0 C14 H19 N3 O5 InChI=1S/C14H19N3O5/c15-1
    7(9-13(20)21)12(19)8-11(1
    8)14(22)16-7-6-10-4-2-1-3
    -5-10/h1-5,11,18H,6-9,15H
    2,(H,16,22)(H,20,21)/t11-
    /m0/s1;
    FAEIAIPIEHOWKC-NSHDSACASA-N    		 c1ccc(cc1)CCNC(=O)C(CC(=O)N(CC(=O)O)N)O;
    NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCCc1cccc
    c1; c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=
    O)O)N)O; NN(CC(O)=O)C(=O)C[CH](O)C(=O)NC
    Cc1ccccc1; O=C(O)CN(N)C(=O)CC(O)C(=O)NCC
    c1ccccc1    		 (1-{(3S)-3-HYDROXY-4-OXO-4-[(2-PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
    29983 MY5
    ZINC000058651074    		 0 C16 H22 N4 O6 InChI=1S/C16H22N4O6/c1-10
    (15(25)18-8-11-5-3-2-4-6-
    11)19-16(26)12(21)7-13(22
    )20(17)9-14(23)24/h2-6,10
    ,12,21H,7-9,17H2,1H3,(H,1
    8,25)(H,19,26)(H,23,24)/t
    10-,12-/m0/s1;
    JZPDINAZOJYWHO-JQWIXIFHSA-N    		 C[CH](NC(=O)[CH](O)CC(=O)N(N)CC(O)=O)C(=
    O)NCc1ccccc1; O=C(O)CN(N)C(=O)CC(O)C(=O)
    NC(C(=O)NCc1ccccc1)C; CC(C(=O)NCc1ccccc1
    )NC(=O)C(CC(=O)N(CC(=O)O)N)O; C[C@@H](C(
    =O)NCc1ccccc1)NC(=O)[C@H](CC(=O)N(CC(=O)
    O)N)O; C[C@H](NC(=O)[C@@H](O)CC(=O)N(N)C
    C(O)=O)C(=O)NCc1ccccc1    		 {1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
    29984 MY6
    ZINC000008613011    		 16 C6 H7 N5 O InChI=1S/C6H7N5O/c1-11-2-
    8-4-3(11)5(12)10-6(7)9-4/
    h2H,1H3,(H3,7,9,10,12);
    FZWGECJQACGGTI-UHFFFAOYSA-N    		 Cn1cnc2N=C(N)NC(=O)c12; Cn1cnc2c1C(=O)NC
    (=N2)N; O=C1c2c(N=C(N1)N)ncn2C    		 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one
    29985 MY7 2 C18 H14 N4 O3 InChI=1S/C18H14N4O3/c1-10
    -15(11-5-3-2-4-6-11)16(23
    )22(21-10)18-19-13-8-7-12
    (17(24)25)9-14(13)20-18/h
    2-9,15H,1H3,(H,19,20)(H,2
    4,25)/t15-/m0/s1;
    IRYCJDGHIUCPHS-HNNXBMFYSA-N    		 CC1=NN(C(=O)C1c2ccccc2)c3[nH]c4cc(ccc4n3
    )C(=O)O; CC1=NN(C(=O)[CH]1c2ccccc2)c3[nH
    ]c4cc(ccc4n3)C(O)=O; CC1=NN(C(=O)[C@@H]1
    c2ccccc2)c3[nH]c4cc(ccc4n3)C(O)=O    		 2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid
    29986 MY8
    ZINC000584905785    		 2 C29 H49 N O6 InChI=1S/C29H49NO6/c1-9-2
    5-18(2)12-10-11-13-24(31)
    20(4)16-21(5)28(19(3)14-1
    5-26(32)35-25)36-29-27(33
    )23(30(7)8)17-22(6)34-29/
    h10-15,18-25,27-29,31,33H
    ,9,16-17H2,1-8H3/b12-10+,
    13-11+,15-14+/t18-,19-,20
    +,21-,22+,23-,24+,25+,27+
    ,28+,29-/m0/s1;
    ZWHLYXQJICTUSD-JUFBBUGVSA-N    		 CC[C@@H]1[C@H](/C=C/C=C/[C@H]([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)O)C
    ; 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@H](O)/C=C/C=C/[C@@H]1C;
    CCC1C(C=CC=CC(C(CC(C(C(C=CC(=O)O1)C)OC2
    C(C(CC(O2)C)N(C)C)O)C)C)O)C; 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)[CH](O)C=CC=C[C
    H]1C    		 Mycinamicin VIII
    29987 MY9
    CHEMBL1234552
    ZINC000024819433    		 1 C33 H40 F N5 O6 S InChI=1S/C33H40FN5O6S/c1-
    20(22-12-14-25(34)15-13-2
    2)35-30(41)23-17-24(19-26
    (18-23)39(5)46(6,44)45)31
    (42)36-27(16-21-10-8-7-9-
    11-21)29(40)28-32(43)38(4
    )33(2,3)37-28/h7-15,17-20
    ,27-29,37,40H,16H2,1-6H3,
    (H,35,41)(H,36,42)/t20-,2
    7+,28+,29+/m1/s1;
    YNXGIROKYOHHJW-UFAZYNLISA-N    		 C[CH](NC(=O)c1cc(cc(c1)C(=O)N[CH](Cc2ccc
    cc2)[CH](O)[CH]3NC(C)(C)N(C)C3=O)N(C)[S]
    (C)(=O)=O)c4ccc(F)cc4; C[C@@H](NC(=O)c1c
    c(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[
    C@@H]3NC(C)(C)N(C)C3=O)N(C)[S](C)(=O)=O)
    c4ccc(F)cc4; C[C@H](c1ccc(cc1)F)NC(=O)c2
    cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3
    ccccc3)[C@@H]([C@H]4C(=O)N(C(N4)(C)C)C)O
    ; O=C1N(C)C(NC1C(O)C(NC(=O)c3cc(N(C)S(=O
    )(=O)C)cc(C(=O)NC(c2ccc(F)cc2)C)c3)Cc4cc
    ccc4)(C)C; CC(c1ccc(cc1)F)NC(=O)c2cc(cc(
    c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(C4
    C(=O)N(C(N4)(C)C)C)O    		 N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE
    29988 MYA
    DB02180
    ZINC000195445287    		 177 C35 H62 N7 O17 P3 S InChI=1S/C35H62N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-26(44)63-19-18-37-
    25(43)16-17-38-33(47)30(4
    6)35(2,3)21-56-62(53,54)5
    9-61(51,52)55-20-24-29(58
    -60(48,49)50)28(45)34(57-
    24)42-23-41-27-31(36)39-2
    2-40-32(27)42/h22-24,28-3
    0,34,45-46H,4-21H2,1-3H3,
    (H,37,43)(H,38,47)(H,51,5
    2)(H,53,54)(H2,36,39,40)(
    H2,48,49,50)/t24-,28-,29-
    ,30+,34-/m1/s1;
    DUAFKXOFBZQTQE-QSGBVPJFSA-N    		 CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C
    )(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cn
    c3c2ncnc3N)O)OP(=O)(O)O)O; O=C(SCCNC(=O)
    CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC
    C3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
    CCCCCCCCCCCC; CCCCCCCCCCCCCC(=O)SCCNC(=O
    )CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](
    O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O
    )=O)n2cnc3c(N)ncnc23; CCCCCCCCCCCCCC(=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; CCCCCCCC
    CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(
    C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H](
    [C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)nc
    nc23    		 TETRADECANOYL-COA;
    MYRISTOYL-COA
    29989 MYB
    ZINC000098209195    		 4 C20 H39 N O4 InChI=1S/C20H39NO4/c1-2-3
    -4-10-13-17(23)14-11-8-6-
    5-7-9-12-15-19(24)20(25)1
    8(21)16-22/h9,12,18-20,22
    ,24-25H,2-8,10-11,13-16,2
    1H2,1H3/b12-9+/t18-,19+,2
    0+/m0/s1;
    NXVWIVNGDXWOCH-INRCJLNUSA-N    		 CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@H
    ](CO)N)O)O; O=C(CCCCCC)CCCCCC/C=C/CC(O)C
    (O)C(N)CO; CCCCCCC(=O)CCCCCCC=CCC(C(C(CO
    )N)O)O; CCCCCCC(=O)CCCCCCC=CC[CH](O)[CH]
    (O)[CH](N)CO; CCCCCCC(=O)CCCCCC\C=C\C[C@
    @H](O)[C@H](O)[C@@H](N)CO    		 Decarboxylated Myriocin
    29990 MYC
    CHEMBL164
    DB02375
    ZINC000003874317    		 32 C15 H10 O8 InChI=1S/C15H10O8/c16-6-3
    -7(17)11-10(4-6)23-15(14(
    22)13(11)21)5-1-8(18)12(2
    0)9(19)2-5/h1-4,16-20,22H;
    IKMDFBPHZNJCSN-UHFFFAOYSA-N    		 O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)c
    c3O; c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(c
    c3O2)O)O)O; Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3
    cc(O)c(O)c(O)c3)O    		 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE;
    2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE;
    3,3',4',5,5',7-HEXAHYDROXYFLAVONE;
    MYRICETIN;
    CANNABISCETIN
    29991 MYD
    CHEMBL410744
    ZINC000028864941    		 2 C23 H29 N5 O13 P2 InChI=1S/C23H29N5O13P2/c1
    -10-12-5-38-23(32)14(12)1
    6(29)11(19(10)37-2)3-4-39
    -42(33,34)9-43(35,36)40-6
    -13-17(30)18(31)22(41-13)
    28-8-27-15-20(24)25-7-26-
    21(15)28/h7-8,13,17-18,22
    ,29-31H,3-6,9H2,1-2H3,(H,
    33,34)(H,35,36)(H2,24,25,
    26)/t13-,17-,18-,22-/m1/s
    1;
    AMYUZLUBFKOUEX-JKWAKEATSA-N    		 COc1c(C)c2COC(=O)c2c(O)c1CCO[P](O)(=O)C[
    P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cn
    c5c(N)ncnc45; Cc1c2c(c(c(c1OC)CCOP(=O)(C
    P(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)
    O)O)C(=O)OC2; Cc1c2c(c(c(c1OC)CCO[P@](=O
    )(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@
    H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)OC2; O
    =C5OCc1c5c(O)c(c(OC)c1C)CCOP(=O)(O)CP(=O
    )(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O; COc
    1c(C)c2COC(=O)c2c(O)c1CCO[P@](O)(=O)C[P@
    ](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)
    n4cnc5c(N)ncnc45    		 {[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID MONO-[2-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-ETHYL] ESTER;
    C2-MYCOPHENOLIC ADENINE DINUCLEOTIDE
    29992 MYE
    DB04234
    ZINC000012504234    		 1 C20 H29 Br N2 O4 InChI=1S/C20H29BrN2O4/c1-
    4-5-6-17(12-24)22-19(25)1
    8(11-14(2)3)23-20(26)27-1
    3-15-7-9-16(21)10-8-15/h7
    -10,12,14,17-18H,4-6,11,1
    3H2,1-3H3,(H,22,25)(H,23,
    26)/t17-,18-/m0/s1;
    UEDKSAKLZBMNMA-ROUUACIJSA-N    		 CCCC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccc
    (Br)cc1)C=O; CCCC[C@H](NC(=O)[C@H](CC(C)
    C)NC(=O)OCc1ccc(Br)cc1)C=O; CCCCC(C=O)NC
    (=O)C(CC(C)C)NC(=O)OCc1ccc(cc1)Br; CCCC[
    C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1c
    cc(cc1)Br; Brc1ccc(cc1)COC(=O)NC(C(=O)NC
    (C=O)CCCC)CC(C)C    		 N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE
    29993 MYF
    CHEMBL247484
    DB08230
    ZINC000013520048    		 1 C15 H10 O7 InChI=1S/C15H10O7/c16-7-3
    -8(17)14-9(18)5-12(22-13(
    14)4-7)6-1-10(19)15(21)11
    (20)2-6/h1-5,16-17,19-21H;
    ARSRJFRKVXALTF-UHFFFAOYSA-N    		 O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc
    3O; c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3
    O2)O)O; Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cc(O)
    c(O)c(O)c3    		 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE;
    2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE;
    PENTAHYDROXYFLAVONE
    29994 MYG
    DB03779
    ZINC000100069882    		 1 C12 H23 N O10 InChI=1S/C12H23NO10/c13-3
    -5(16)4(15)2(1-14)22-12(3
    )23-11-9(20)7(18)6(17)8(1
    9)10(11)21/h2-12,14-21H,1
    ,13H2/t2-,3-,4-,5-,6-,7-,
    8-,9+,10-,11-,12-/m1/s1;
    HEPUIGACZYVUCD-YZRQSVRMSA-N    		 C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)
    O)O)O; N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C
    O)O[C@@H]1O[C@H]2[C@H](O)[C@H](O)[C@H](O
    )[C@@H](O)[C@@H]2O; O(C1C(O)C(O)C(O)C(O)
    C1O)C2OC(C(O)C(O)C2N)CO; N[CH]1[CH](O)[C
    H](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](O)[
    CH](O)[CH](O)[CH]2O; C([C@@H]1[C@H]([C@@
    H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@
    H]([C@@H]2O)O)O)O)O)N)O)O)O    		 (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside;
    GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOL;
    (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucoside;
    (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-D-glucoside;
    (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-glucoside
    29995 MYI
    CHEMBL85433
    ZINC000000057162    		 11 C11 H11 N O3 InChI=1S/C11H11NO3/c1-15-
    8-2-3-10-9(5-8)7(6-12-10)
    4-11(13)14/h2-3,5-6,12H,4
    H2,1H3,(H,13,14);
    COCNDHOPIHDTHK-UHFFFAOYSA-N    		 COc1ccc2c(c1)c(c[nH]2)CC(=O)O; COc1ccc2[
    nH]cc(CC(O)=O)c2c1    		 (5-methoxy-1H-indol-3-yl)acetic acid;
    5-methoxy-indole acetate
    29996 MYJ
    CHEMBL107610
    ZINC000025723409    		 2 C7 H7 N O3 InChI=1S/C7H7NO3/c1-5-4-6
    (8(10)11)2-3-7(5)9/h2-4,9
    H,1H3;
    KDQPMQNHVQVVMR-UHFFFAOYSA-N    		 Cc1cc(ccc1O)N(=O)=O; Cc1cc(ccc1O)[N](=O)
    =O; Cc1c(O)ccc(c1)N(=O)=O    		 2-methyl-4-nitrophenol
    29997 MYK 0 C20 H40 N2 O3 InChI=1S/C20H40N2O3/c1-2-
    3-4-5-6-7-8-9-10-11-12-16
    -19(23)22-17-14-13-15-18(
    21)20(24)25/h18H,2-17,21H
    2,1H3,(H,22,23)(H,24,25)/
    t18-/m0/s1;
    XTLFOGNEQSPWGW-SFHVURJKSA-N    		 CCCCCCCCCCCCCC(=O)NCCCC[CH](N)C(O)=O; CC
    CCCCCCCCCCCC(=O)NCCCCC(C(=O)O)N; O=C(O)C
    (N)CCCCNC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCC
    CC(=O)NCCCC[C@@H](C(=O)O)N; CCCCCCCCCCCC
    CC(=O)NCCCC[C@H](N)C(O)=O    		 N~6~-tetradecanoyl-L-lysine;
    N6-myristoyl lysine
    29998 MYL
    CHEMBL497719
    ZINC000026175752    		 1 C24 H41 N O10 InChI=1S/C24H41NO10/c1-12
    -9-24(31-7,35-14(3)13(12)
    2)19(28)21(29)25-22-18-17
    (32-11-33-22)20(30-6)23(4
    ,5)16(34-18)8-15(27)10-26
    /h13-20,22,26-28H,1,8-11H
    2,2-7H3,(H,25,29)/t13-,14
    -,15+,16-,17+,18+,19-,20-
    ,22-,24-/m1/s1;
    IJASURGZDJYQGF-RXLGVIKCSA-N    		 CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC
    (CO)O)(C)C)OC)OCO2)O)OC)C; CO[C@@H]1[C@H
    ]2OCO[C@@H](NC(=O)[C@@H](O)[C@]3(CC(=C)[
    C@@H](C)[C@@H](C)O3)OC)[C@H]2O[C@H](C[C@
    H](O)CO)C1(C)C; CO[CH]1[CH]2OCO[CH](NC(=
    O)[CH](O)[C]3(CC(=C)[CH](C)[CH](C)O3)OC)
    [CH]2O[CH](C[CH](O)CO)C1(C)C; O=C(NC2OCO
    C1C(OC)C(C(OC12)CC(O)CO)(C)C)C(O)C3(OC)O
    C(C)C(C(=C)/C3)C; C[C@H]1[C@H](O[C@](CC1
    =C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@
    H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2)
    O)OC)C    		 Mycalamide A;
    (2S)-N-{(4R,4aS,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylidenetetrahydro-2H-pyran-2-yl]ethanamide
    29999 MYM 1 C31 H51 N2 O9 P S InChI=1S/C31H51N2O9PS/c1-
    19-17-31-11-7-20(19)15-22
    (31)29(4)9-6-10-30(5,21(2
    9)16-23(31)34)27(38)44-14
    -13-32-24(35)8-12-33-26(3
    7)25(36)28(2,3)18-42-43(3
    9,40)41/h20-23,25,34,36H,
    1,6-18H2,2-5H3,(H,32,35)(
    H,33,37)(H2,39,40,41)/t20
    -,21-,22-,23+,25-,29+,30+
    ,31+/m0/s1;
    PHQDCKXVLPNCFQ-HHFPKWFXSA-N    		 C(CNC(CCNC(C(C(COP(O)(O)=O)(C)C)O)=O)=O)
    SC(=O)C1(C)CCCC4(C)C1CC(O)C32C4CC(/C(C2)
    =C)CC3; CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)
    NCCC(=O)NCCSC(=O)[C]1(C)CCC[C]2(C)[CH]1C
    [CH](O)[C]34CC[CH](C[CH]23)C(=C)C4; C[C@
    @]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2C[
    C@H](CC3)C(=C)C4)O)(C)C(=O)SCCNC(=O)CCNC
    (=O)[C@@H](C(C)(C)COP(=O)(O)O)O; CC(C)(C
    O[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCSC
    (=O)[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)
    [C@@]34CC[C@@H](C[C@@H]23)C(=C)C4; CC12C
    CCC(C1CC(C34C2CC(CC3)C(=C)C4)O)(C)C(=O)S
    CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O    		 S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate
    30000 MYN 1 C6 H12 N4 O2 InChI=1S/C6H12N4O2/c7-4(5
    (11)12)3-1-2-9-6(8)10-3/h
    3-4H,1-2,7H2,(H,11,12)(H3
    ,8,9,10)/t3-,4+/m1/s1;
    XHNWDEHKMJLKGG-DMTCNVIQSA-N    		 N[C@@H]([C@H]1CCNC(=N1)N)C(O)=O; N[CH]([
    CH]1CCNC(=N1)N)C(O)=O; C1CNC(=NC1C(C(=O)
    O)N)N; C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N    		 (2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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