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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 hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    38001
    TDP    		 0 C12 H18 N4 O7 P2 S InChI=1S/C12H18N4O7P2S/c1
    -8-11(3-4-22-25(20,21)23-
    24(17,18)19)26-7-16(8)6-1
    0-5-14-9(2)15-12(10)13/h5
    ,7H,3-4,6H2,1-2H3,(H4-,13
    ,14,15,17,18,19,20,21);
    AYEKOFBPNLCAJY-UHFFFAOYSA-N    		 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(
    =O)(O)[O-]; Cc1ncc(C[n+]2csc(CCO[P](O)(=
    O)O[P](O)([O-])=O)c2C)c(N)n1; Cc1c(sc[n+
    ]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)
    (O)[O-]; Cc1ncc(C[n+]2csc(CCO[P@](O)(=O)
    O[P](O)([O-])=O)c2C)c(N)n1    		 THIAMIN DIPHOSPHATE
    38002
    TDR
    CHEMBL993
    DB03462
    ZINC000000157062    		 55 C5 H6 N2 O2 InChI=1S/C5H6N2O2/c1-3-2-
    6-5(9)7-4(3)8/h2H,1H3,(H2
    ,6,7,8,9);
    RWQNBRDOKXIBIV-UHFFFAOYSA-N    		 CC1=CNC(=O)NC1=O; O=C1C(=CNC(=O)N1)C THYMINE
    38003
    TDS
    ZINC000058661093    		 12 C25 H38 O5 InChI=1S/C25H38O5/c1-5-6-
    7-8-9-10-11-12-13-14-15-1
    6-19-18(2)23(26)22-20(28-
    3)17-21(29-4)24(27)25(22)
    30-19/h17,27H,5-16H2,1-4H
    3;
    LSHATXKKRQGSEC-UHFFFAOYSA-N    		 CCCCCCCCCCCCCC1=C(C)C(=O)c2c(OC)cc(OC)c(
    O)c2O1; CCCCCCCCCCCCCC1=C(C(=O)c2c(cc(c(
    c2O1)O)OC)OC)C; O=C1c2c(OC(=C1C)CCCCCCCC
    CCCCC)c(O)c(OC)cc2OC    		 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE;
    TRIDECYL-STIGMATELLIN
    38004
    TDT    		 3 C40 H44 N12 O15 P2 S InChI=1S/C40H46N12O15P2S/
    c41-33-27-36(44-18-43-33)
    51(19-45-27)39-32(56)30(5
    4)26(66-39)17-64-69(61,62
    )67-68(59,60)63-16-25-29(
    53)31(55)38(65-25)49-13-1
    0-24(22(14-49)34(42)57)52
    -15-23-35(47-52)46-20-50(
    40(23)70)28(21-8-4-3-5-9-
    21)37(58)48-11-6-1-2-7-12
    -48/h3-5,8-10,13-15,18-20
    ,24-26,28-32,38-39,53,55H
    ,1-2,6-7,11-12,16-17H2,(H
    2,42,57)(H,59,60)(H,61,62
    )(H2,41,43,44)/q-2/p-2/t2
    4-,25+,26+,28-,29+,30+,31
    +,32+,38+,39+/m0/s1;
    XHBACRZQFHLVAV-LFFSAXSQSA-L    		 NC(=O)C1=CN(C=C[C@@H]1n2cc3C(=S)N(C=Nc3n
    2)[C@H](C(=O)N4CCCCCC4)c5ccccc5)[C@@H]6O
    [C@H](CO[P]([O-])(=O)O[P]([O-])(=O)OC[C@
    H]7O[C@H]([C@H]([O-])[C@@H]7[O-])n8cnc9c
    (N)ncnc89)[C@@H](O)[C@H]6O; c1ccc(cc1)C(
    C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)C5C=CN(C=C
    5C(=O)N)C6C(C(C(O6)COP(=O)([O-])OP(=O)([
    O-])OCC7C(C(C(O7)n8cnc9c8ncnc9N)[O-])[O-
    ])O)O)C3=S; c1ccc(cc1)[C@@H](C(=O)N2CCCC
    CC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N
    )[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O
    -])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@
    H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S;
    NC(=O)C1=CN(C=C[CH]1n2cc3C(=S)N(C=Nc3n2
    )[CH](C(=O)N4CCCCCC4)c5ccccc5)[CH]6O[CH]
    (CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]7O[C
    H]([CH]([O-])[CH]7[O-])n8cnc9c(N)ncnc89)
    [CH](O)[CH]6O    		 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT
    38005
    TDU
    CHEMBL2325441
    ZINC000075343937    		 1 C15 H18 N4 O S InChI=1S/C15H18N4OS/c20-1
    5(16-9-8-11-4-2-1-3-5-11)
    17-12-6-7-13-14(10-12)21-
    19-18-13/h4,6-7,10H,1-3,5
    ,8-9H2,(H2,16,17,20);
    GGXCUZHEJUJACD-UHFFFAOYSA-N    		 O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2; c1cc2c(
    cc1NC(=O)NCCC3=CCCCC3)snn2    		 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea;
    1-(benzo[d][1,2,3]thiadiazol-6-yl)-3-(2-cyclohexenylethyl)urea
    38006
    TDV
    CHEMBL2178963
    ZINC000095578092    		 1 C27 H30 F N5 O2 InChI=1S/C27H30FN5O2/c28-
    22-13-11-21(12-14-22)24-1
    9-33(30-29-24)23-17-25(27
    (35)31-15-4-5-16-31)32(18
    -23)26(34)10-6-9-20-7-2-1
    -3-8-20/h1-3,7-8,11-14,19
    ,23,25H,4-6,9-10,15-18H2/
    t23-,25-/m0/s1;
    LGXNBGWSOROIQH-ZCYQVOJMSA-N    		 Fc1ccc(cc1)c2cn(nn2)[C@H]3C[C@H](N(C3)C(
    =O)CCCc4ccccc4)C(=O)N5CCCC5; c1ccc(cc1)C
    CCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc
    (nn4)c5ccc(cc5)F; Fc1ccc(cc1)c2cn(nn2)[C
    H]3C[CH](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CC
    CC5; c1ccc(cc1)CCCC(=O)N2CC(CC2C(=O)N3CC
    CC3)n4cc(nn4)c5ccc(cc5)F; Fc5ccc(c1nnn(c
    1)C4CN(C(=O)CCCc2ccccc2)C(C(=O)N3CCCC3)C
    4)cc5    		 1-[(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one
    38007
    TDW    		 8 C14 H23 N4 O8 P2 S InChI=1S/C14H24N4O8P2S/c1
    -8-12(4-5-25-28(23,24)26-
    27(20,21)22)29-14(9(2)19)
    18(8)7-11-6-16-10(3)17-13
    (11)15/h6,9,18-19H,4-5,7H
    2,1-3H3,(H,23,24)(H2,15,1
    6,17)(H2,20,21,22)/t9-/m0
    /s1;
    WHPLAPKWYDKPQH-VIFPVBQESA-N    		 Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)O)CCOP(=O
    )(O)OP(=O)(O)O; C[C@H](O)c1sc(CCO[P](O)(
    =O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N;
    C[CH](O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c
    (C)[n+]1Cc2cnc(C)nc2N; Cc1c(sc([n+]1Cc2c
    nc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)
    O; O=P(O)(O)OP(=O)(O)OCCc1sc(C(O)C)n(c1C
    )Cc2cnc(nc2N)C    		 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1S)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
    38008
    TDX
    DB03161
    ZINC000015634247    		 12 C15 H24 N2 O15 P2 InChI=1S/C15H24N2O15P2/c1
    -6-3-17(15(23)16-13(6)22)
    10-2-7(18)9(30-10)5-29-33
    (24,25)32-34(26,27)31-14-
    12(21)11(20)8(19)4-28-14/
    h3,7-12,14,18-21H,2,4-5H2
    ,1H3,(H,24,25)(H,26,27)(H
    ,16,22,23)/t7-,8+,9+,10+,
    11-,12+,14+/m0/s1;
    AJUADKZRQSBUAK-KDGZBOQCSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]
    ([C@H]([C@@H](CO3)O)O)O)O; CC1=CN([CH]2C
    [CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]
    3OC[CH](O)[CH](O)[CH]3O)O2)C(=O)NC1=O; O
    =P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N
    2C=C(C(=O)NC2=O)C)CC3O; CC1=CN([C@H]2C[C
    @H](O)[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)
    O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O2)C(=
    O)NC1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP
    (=O)(O)OP(=O)(O)OC3C(C(C(CO3)O)O)O)O    		 THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE
    38009
    TDY
    ZINC000058649499    		 0 C11 H20 N3 O8 P InChI=1S/C11H20N3O8P/c1-1
    1(12-2)5-14(10(17)13-9(11
    )16)8-3-6(15)7(22-8)4-21-
    23(18,19)20/h6-8,12,15H,3
    -5H2,1-2H3,(H,13,16,17)(H
    2,18,19,20)/t6-,7+,8+,11+
    /m0/s1;
    GANAXGZWNNBICE-PRKAOEEVSA-N    		 C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]
    (O2)COP(=O)(O)O)O)NC; O=C1N(CC(C(=O)N1)(
    NC)C)C2OC(C(O)C2)COP(=O)(O)O; CN[C]1(C)C
    N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=
    O)NC1=O; CN[C@]1(C)CN([C@H]2C[C@H](O)[C@
    @H](CO[P](O)(O)=O)O2)C(=O)NC1=O; CC1(CN(
    C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O)NC    		 5-(METHYLAMINO)THYMIDINE 5'-(DIHYDROGEN PHOSPHATE)
    38010
    TDZ
    DB08607
    ZINC000000968278    		 6 C24 H27 N O5 S InChI=1S/C24H27NO5S/c1-13
    -14(2)21-18(15(3)20(13)26
    )9-10-24(4,30-21)12-29-17
    -7-5-16(6-8-17)11-19-22(2
    7)25-23(28)31-19/h5-8,19,
    26H,9-12H2,1-4H3,(H,25,27
    ,28)/t19-,24-/m1/s1;
    GXPHKUHSUJUWKP-NTKDMRAZSA-N    		 Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc
    3)C[C@@H]4C(=O)NC(=O)S4)C; Cc1c(c2c(c(c1
    O)C)CCC(O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)
    S4)C; Cc1c(C)c2O[C](C)(CCc2c(C)c1O)COc3c
    cc(C[CH]4SC(=O)NC4=O)cc3; O=C1NC(=O)SC1C
    c4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc
    4; Cc1c(C)c2O[C@](C)(CCc2c(C)c1O)COc3ccc
    (C[C@H]4SC(=O)NC4=O)cc3    		 (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE;
    TROGLITAZONE
    38011
    TE    		 0 Te InChI=1S/H2Te/h1H2;
    VTLHPSMQDDEFRU-UHFFFAOYSA-N    		 [Te]; [TeH2] TELLURIUM
    38012
    TE0
    CHEMBL1905461
    ZINC000000259871    		 7 C8 H15 N O4 S InChI=1S/C8H15NO4S/c1-2-1
    4(12,13)9-5-3-7(4-6-9)8(1
    0)11/h7H,2-6H2,1H3,(H,10,
    11);
    FXILSJTWIHHRJV-UHFFFAOYSA-N    		 O=S(=O)(CC)N1CCC(CC1)C(=O)O; CC[S](=O)(=
    O)N1CCC(CC1)C(O)=O; CCS(=O)(=O)N1CCC(CC1
    )C(=O)O    		 1-(ethanesulfonyl)piperidine-4-carboxylic acid
    38013
    TE1
    CHEMBL560175
    ZINC000043069883    		 1 C15 H20 O5 InChI=1S/C15H20O5/c1-9(2)
    6-13(17)11-7-10(4-5-15(18
    )19)12(16)8-14(11)20-3/h4
    -5,7-9,13,16-17H,6H2,1-3H
    3,(H,18,19)/b5-4-/t13-/m0
    /s1;
    KXEZMFMTEVLUPQ-ZFDPJTLLSA-N    		 CC(C)CC(c1cc(c(cc1OC)O)C=CC(=O)O)O; COc1
    cc(O)c(C=CC(O)=O)cc1[CH](O)CC(C)C; COc1c
    c(O)c(\C=C/C(O)=O)cc1[C@@H](O)CC(C)C; CC
    (C)C[C@@H](c1cc(c(cc1OC)O)/C=C\C(=O)O)O;
    O=C(O)\C=C/c1c(O)cc(OC)c(c1)C(O)CC(C)C    		 (2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid
    38014
    TE2
    ZINC000150345602    		 1 C47 H61 N5 O3 S InChI=1S/C47H61N5O3S/c1-4
    6(2)38-18-9-11-20-40(38)5
    1(5)42(46)29-25-35-16-15-
    17-36(26-30-43-47(3,4)39-
    19-10-12-21-41(39)52(43)6
    )45(35)50-33-14-8-7-13-32
    -49-44(53)31-24-34-22-27-
    37(28-23-34)56(48,54)55/h
    9-12,18-23,25,27-30,50H,7
    -8,13-17,24,26,31-33H2,1-
    6H3,(H,49,53)(H2,48,54,55
    )/b35-25-,42-29+,43-30-;
    KNDSETYOKYYUHZ-OLEWYFQESA-N    		 CC\1(c2ccccc2N(/C1=C\CC3=C(/C(=C\C=C\4/C
    (c5ccccc5N4C)(C)C)/CCC3)NCCCCCCNC(=O)CCc
    6ccc(cc6)S(=O)(=O)N)C)C; O=S(=O)(N)c1ccc
    (cc1)CCC(=O)NCCCCCCNC=4/C(=C\C=C3\N(c2cc
    ccc2C3(C)C)C)CCCC=4C\C=C6/N(c5ccccc5C6(C
    )C)C; CN\1c2ccccc2C(C)(C)C\1=C/CC3=C(NCC
    CCCCNC(=O)CCc4ccc(cc4)[S](N)(=O)=O)C(\CC
    C3)=C/C=C\5N(C)c6ccccc6C\5(C)C; CC1(c2cc
    ccc2N(C1=CCC3=C(C(=CC=C4C(c5ccccc5N4C)(C
    )C)CCC3)NCCCCCCNC(=O)CCc6ccc(cc6)S(=O)(=
    O)N)C)C; CN1c2ccccc2C(C)(C)C1=CCC3=C(NCC
    CCCCNC(=O)CCc4ccc(cc4)[S](N)(=O)=O)C(CCC
    3)=CC=C5N(C)c6ccccc6C5(C)C
    38015
    TE3
    CHEMBL4750765    		 4 C10 H16 N4 O3 S2 InChI=1S/C10H16N4O3S2/c11
    -19(16,17)10-14-13-9(18-1
    0)12-8(15)6-7-4-2-1-3-5-7
    /h7H,1-6H2,(H2,11,16,17)(
    H,12,13,15);
    JUBREXAVHBVMRO-UHFFFAOYSA-N    		 C1CCC(CC1)CC(=O)Nc2nnc(s2)S(=O)(=O)N; O=
    S(N)(=O)c1nnc(NC(=O)CC2CCCCC2)s1; N[S](=
    O)(=O)c1sc(NC(=O)CC2CCCCC2)nn1    		 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
    38016
    TE4
    CHEMBL698
    DB09085
    ZINC000001530811    		 6 C15 H24 N2 O2 InChI=1S/C15H24N2O2/c1-4-
    5-10-16-14-8-6-13(7-9-14)
    15(18)19-12-11-17(2)3/h6-
    9,16H,4-5,10-12H2,1-3H3;
    GKCBAIGFKIBETG-UHFFFAOYSA-N    		 O=C(OCCN(C)C)c1ccc(NCCCC)cc1; CCCCNc1ccc
    (cc1)C(=O)OCCN(C)C    		 Tetracaine;
    2-(dimethylamino)ethyl 4-(butylamino)benzoate
    38017
    TE5
    CHEMBL1415245
    ZINC000000040343    		 1 C11 H11 N3 O InChI=1S/C11H11N3O/c1-15-
    10-7-9(13-11(12)14-10)8-5
    -3-2-4-6-8/h2-7H,1H3,(H2,
    12,13,14);
    NVXGRADJIFIBIO-UHFFFAOYSA-N    		 COc1cc(nc(n1)N)c2ccccc2; COc1cc(nc(N)n1)
    c2ccccc2    		 4-methoxy-6-phenyl-pyrimidin-2-amine;
    4-methoxy-6-phenylpyrimidin-2-ylamine;
    4-methoxy-6-phenylpyrimidin-2-amine
    38018
    TE6    		 1 H6 O6 Te InChI=1S/H6O6Te/c1-7(2,3,
    4,5)6/h1-6H;
    FXADMRZICBQPQY-UHFFFAOYSA-N    		 O[Te](O)(O)(O)(O)O Orthotelluric acid
    38019
    TE7
    CHEMBL125750
    ZINC000100901356    		 4 C19 H20 N4 O2 InChI=1S/C19H20N4O2/c1-22
    (2)9-8-20-14-5-6-15-18-17
    (14)19(24)13-10-12(25-3)4
    -7-16(13)23(18)11-21-15/h
    4-7,10-11,20H,8-9H2,1-3H3;
    NJTQMNXHSDDMHX-UHFFFAOYSA-N    		 CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)O
    C; O=C2c1c(ccc(OC)c1)n3c4c2c(NCCN(C)C)cc
    c4nc3; COc1ccc2n3cnc4ccc(NCCN(C)C)c(C(=O
    )c2c1)c34    		 5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one
    38020
    TE8
    ZINC000000241544    		 1 C15 H14 O3 InChI=1S/C15H14O3/c1-11(1
    5(16)17)18-14-9-7-13(8-10
    -14)12-5-3-2-4-6-12/h2-11
    H,1H3,(H,16,17)/t11-/m1/s
    1;
    FUPGQEMJIGUBGO-LLVKDONJSA-N    		 C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2; CC(C(
    =O)O)Oc1ccc(cc1)c2ccccc2; C[C@@H](Oc1ccc
    (cc1)c2ccccc2)C(O)=O; C[CH](Oc1ccc(cc1)c
    2ccccc2)C(O)=O    		 (2~{R})-2-(4-phenylphenoxy)propanoic acid
    38021
    TE9
    CHEMBL2105637
    DB11943
    ZINC000003827556    		 8 C18 H12 Cl F3 N4 O4 InChI=1S/C18H12ClF3N4O4/c
    19-12-13-7(1-9(20)14(12)2
    5-3-6(27)4-25)15(28)8(18(
    29)30)5-26(13)17-11(22)2-
    10(21)16(23)24-17/h1-2,5-
    6,27H,3-4H2,(H2,23,24)(H,
    29,30);
    DYDCPNMLZGFQTM-UHFFFAOYSA-N    		 Nc1nc(N2C=C(C(O)=O)C(=O)c3cc(F)c(N4CC(O)
    C4)c(Cl)c23)c(F)cc1F; c1c2c(c(c(c1F)N3CC
    (C3)O)Cl)N(C=C(C2=O)C(=O)O)c4c(cc(c(n4)N
    )F)F    		 delafloxacin;
    1-[6-azanyl-3,5-bis(fluoranyl)pyridin-2-yl]-8-chloranyl-6-fluoranyl-7-(3-oxidanylazetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid
    38022
    TEA    		 0 C6 H16 N InChI=1S/C6H15N/c1-4-7(5-
    2)6-3/h4-6H2,1-3H3/p+1;
    ZMANZCXQSJIPKH-UHFFFAOYSA-O    		 CC[NH+](CC)CC TRIETHYLAMMONIUM ION
    38023
    TEB
    ZINC000103557892    		 6 C16 H23 N3 O4 S2 InChI=1S/C16H23N3O4S2/c1-
    8-12(11(7-20)9(2)21)18-13
    (15(22)23)14(8)25-10-5-19
    (6-10)16-17-3-4-24-16/h7-
    12,18,21H,3-6H2,1-2H3,(H,
    22,23)/t8-,9-,11-,12-/m1/
    s1;
    PGCJBZBFZXWIGF-CNVPUSNMSA-N    		 C[CH](O)[CH](C=O)[CH]1NC(=C(SC2CN(C2)C3=
    NCCS3)[CH]1C)C(O)=O; C[C@@H](O)[C@@H](C=
    O)[C@@H]1NC(=C(SC2CN(C2)C3=NCCS3)[C@@H]1
    C)C(O)=O; C[C@@H]1[C@@H](NC(=C1SC2CN(C2)
    C3=NCCS3)C(=O)O)[C@H](C=O)[C@@H](C)O; CC
    1C(NC(=C1SC2CN(C2)C3=NCCS3)C(=O)O)C(C=O)
    C(C)O; O=C(O)C=3NC(C(C=O)C(O)C)C(C=3SC2C
    N(C1=NCCS1)C2)C    		 (4R,5S)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1H-pyrrole-2-carboxylic acid;
    Tebipenem (open form)
    38024
    TEC
    ZINC000098209445    		 1 C16 H31 N O6 InChI=1S/C16H31NO6/c1-2-3
    -4-5-6-7-8-9-12(18)22-10-
    11-14(19)15(20)13(17)16(2
    1)23-11/h11,13-16,19-21H,
    2-10,17H2,1H3/t11-,13-,14
    -,15-,16-/m1/s1;
    CEBTVLUOBKRBFG-JPIRQXTESA-N    		 CCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](N)[CH]
    (O)[CH]1O; CCCCCCCCCC(=O)OC[C@@H]1[C@H](
    [C@@H]([C@H]([C@@H](O1)O)N)O)O; O=C(OCC1
    OC(O)C(N)C(O)C1O)CCCCCCCCC; CCCCCCCCCC(=
    O)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@
    @H]1O; CCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)N)
    O)O    		 2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose
    38025
    TED
    ZINC000098209446    		 0 C24 H35 N6 O16 P InChI=1S/C24H35N6O16P/c31
    -15-7-19(46-16(15)13-45-4
    7(42,43)44)30-8-14(23(40)
    27-24(30)41)1-2-17(32)25-
    3-4-26-18(33)9-28(10-20(3
    4)35)5-6-29(11-21(36)37)1
    2-22(38)39/h1-2,8,15-16,1
    9,31H,3-7,9-13H2,(H,25,32
    )(H,26,33)(H,34,35)(H,36,
    37)(H,38,39)(H,27,40,41)(
    H2,42,43,44)/b2-1+/t15-,1
    6+,19+/m0/s1;
    GANOOALIPBDIPI-DARGZDBCSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/
    C=C/C(=O)NCCNC(=O)C[N@](CCN(CC(=O)O)CC(=
    O)O)CC(=O)O)COP(=O)(O)O)O; O=C(O)CN(CC(=
    O)O)CCN(CC(=O)O)CC(=O)NCCNC(=O)\C=C\C=1C
    (=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;
    O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C
    =CC(=O)NCCNC(=O)CN(CCN(CC(O)=O)CC(O)=O)C
    C(O)=O)C(=O)NC2=O; O[C@H]1C[C@@H](O[C@@H
    ]1CO[P](O)(O)=O)N2C=C(\C=C\C(=O)NCCNC(=O
    )CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)C(=O)NC2
    =O; C1C(C(OC1N2C=C(C(=O)NC2=O)C=CC(=O)NC
    CNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CO
    P(=O)(O)O)O    		 5-[(1E)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate)
    38026
    TEE
    DB01968    		 0 C2 H5 N S InChI=1S/C2H5NS/c3-1-2-4/
    h1-2,4H,3H2/b2-1-;
    JLZMZFJVTNYDOT-UPHRSURJSA-N    		 C(=CS)N; N\C=C/S; NC=CS; S/C=C\N 2-AMINO-ETHENETHIOL;
    2-THIOETHENAMINE
    38027
    TEF
    ZINC000058638473    		 2 C10 H11 N5 O2 InChI=1S/C10H11N5O2/c11-9
    (10(16)17)5-7-1-3-8(4-2-7
    )15-13-6-12-14-15/h1-4,6,
    9H,5,11H2,(H,16,17)/t9-/m
    0/s1;
    KHTQUIIGXJUWFB-VIFPVBQESA-N    		 N[CH](Cc1ccc(cc1)n2ncnn2)C(O)=O; O=C(O)C
    (N)Cc1ccc(cc1)n2ncnn2; c1cc(ccc1CC(C(=O)
    O)N)n2ncnn2; N[C@@H](Cc1ccc(cc1)n2ncnn2)
    C(O)=O; c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn
    2    		 4-(2H-tetrazol-2-yl)-L-phenylalanine;
    p-(2-tetrazolyl)-phenylalanine
    38028
    TEG
    ZINC000110906804    		 2 C6 H12 O5 InChI=1S/C6H12O5/c7-1-2-1
    0-3-4-11-5-6(8)9/h7H,1-5H
    2,(H,8,9);
    PRBXPAHXMGDVNQ-UHFFFAOYSA-N    		 OCCOCCOCC(O)=O; C(COCCOCC(=O)O)O; C(=O)(
    O)COCCOCCO    		 [2-(2-hydroxyethoxy)ethoxy]acetic acid
    38029
    TEH
    CHEMBL1468944
    ZINC000000359136    		 3 C12 H14 N2 O3 InChI=1S/C12H14N2O3/c15-1
    1-8-14(7-6-13-11)12(16)9-
    17-10-4-2-1-3-5-10/h1-5H,
    6-9H2,(H,13,15);
    VQOCCTAPSDVOOO-UHFFFAOYSA-N    		 c1ccc(cc1)OCC(=O)N2CCNC(=O)C2; O=C1CN(CC
    N1)C(=O)COc2ccccc2    		 4-(2-phenoxyethanoyl)piperazin-2-one
    38030
    TEI
    CHEMBL1164729
    DB04854
    ZINC000000005423    		 4 C16 H16 N2 O3 S InChI=1S/C16H16N2O3S/c1-9
    (2)8-21-13-5-4-11(6-12(13
    )7-17)15-18-10(3)14(22-15
    )16(19)20/h4-6,9H,8H2,1-3
    H3,(H,19,20);
    BQSJTQLCZDPROO-UHFFFAOYSA-N    		 Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O
    ; CC(C)COc1ccc(cc1C#N)c2sc(C(O)=O)c(C)n2
    ; N#Cc1c(OCC(C)C)ccc(c1)c2nc(c(s2)C(=O)O
    )C    		 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID
    38031
    TEJ
    ZINC000058661095    		 3 C27 H38 O4 InChI=1S/C27H38O4/c1-16(1
    2-22-13-17(2)26(30)31-22)
    23-9-10-24-19(6-5-11-27(2
    3,24)4)7-8-20-14-21(28)15
    -25(29)18(20)3/h7-8,16,21
    -25,28-29H,2-3,5-6,9-15H2
    ,1,4H3/b19-7+,20-8-/t16-,
    21+,22-,23+,24-,25-,27+/m
    0/s1;
    SAODSJHDCZTVAT-HPNZEMCUSA-N    		 C[CH](C[CH]1CC(=C)C(=O)O1)[CH]2CC[CH]3C(
    CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C; O=
    C/4OC(CC(C3C2(C)C(\C(=C\C=C1/C(=C)C(O)CC
    (O)C1)CCC2)CC3)C)CC\4=C; C[C@@H](C[C@H]1
    CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC
    /C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C; C
    [C@@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@H
    ]3/C(CCC[C@]23C)=C/C=C4/C[C@@H](O)C[C@H]
    (O)C4=C; CC(CC1CC(=C)C(=O)O1)C2CCC3C2(CC
    CC3=CC=C4CC(CC(C4=C)O)O)C    		 (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one;
    (23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone
    38032
    TEK
    CHEMBL1572228
    ZINC000000845899    		 3 C11 H13 N3 O InChI=1S/C11H13N3O/c1-3-1
    4-10-7-5-4-6-9(10)13-11(1
    4)12-8(2)15/h4-7H,3H2,1-2
    H3,(H,12,13,15);
    CTAOPYAHPUKQBH-UHFFFAOYSA-N    		 CCn1c(NC(C)=O)nc2ccccc12; CCn1c2ccccc2nc
    1NC(=O)C    		 ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide
    38033
    TEL
    CHEMBL1136
    DB00976
    ZINC000009574770    		 0 C43 H65 N5 O10 InChI=1S/C43H65N5O10/c1-1
    2-33-43(8)37(48(41(53)58-
    43)19-14-13-18-47-23-31(4
    5-24-47)30-16-15-17-44-22
    -30)27(4)34(49)25(2)21-42
    (7,54-11)38(28(5)35(50)29
    (6)39(52)56-33)57-40-36(5
    1)32(46(9)10)20-26(3)55-4
    0/h15-17,22-29,32-33,36-3
    8,40,51H,12-14,18-21H2,1-
    11H3/t25-,26-,27+,28+,29-
    ,32+,33-,36-,37-,38-,40+,
    42-,43-/m1/s1;
    LJVAJPDWBABPEJ-PNUFFHFMSA-N    		 CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)
    C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C
    (=O)O2)CCCCn4cc(nc4)c5cccnc5)C; CC[C@H]1
    OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H
    ]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C
    )(C[C@@H](C)C(=O)[C@H](C)[C@H]3N(CCCCn4c
    nc(c4)c5cccnc5)C(=O)O[C@]13C)OC; CC[C@@H
    ]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]
    ([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C
    @H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)
    OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C
    ; CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O
    [CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C
    [CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cnc(c4)c
    5cccnc5)C(=O)O[C]13C)OC; CC12C(CC)OC(C(C
    )C(=O)C(C)C(C(CC(C(C(C1N(C(O2)=O)CCCCn3c
    nc(c3)c4cccnc4)C)=O)C)(OC)C)OC5C(C(N(C)C
    )CC(O5)C)O)=O    		 TELITHROMYCIN;
    (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(pyridin-3-yl)-1H-imidazol-1-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
    38034
    TEM
    ZINC000006292517    		 5 C7 H11 N O3 InChI=1S/C7H11NO3/c9-4-1-
    3-8-6-7(11)2-5-10/h1,3-5,
    7-8,11H,2,6H2/b3-1+/t7-/m
    1/s1;
    FXITUJNZFYVSNC-RCYFRSRISA-N    		 C(C=O)C(CNC=CC=O)O; O[C@@H](CN\C=C\C=O)C
    C=O; O[CH](CNC=CC=O)CC=O; O=C\C=C\NCC(O)
    CC=O; C(C=O)C(CN\C=C\C=O)O    		 N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE
    38035
    TEN
    CHEMBL1236251
    DB03347
    ZINC000001641077    		 1 C6 H15 O4 P InChI=1S/C6H15O4P/c1-4-8-
    11(7,9-5-2)10-6-3/h4-6H2,
    1-3H3;
    DQWPFSLDHJDLRL-UHFFFAOYSA-N    		 O=P(OCC)(OCC)OCC; CCOP(=O)(OCC)OCC; CCO[
    P](=O)(OCC)OCC    		 TRIETHYL PHOSPHATE
    38036
    TEO
    DB03343    		 28 C4 H4 O5 InChI=1S/C4H6O5/c5-2(4(8)
    9)1-3(6)7/h1-2,5-7H,(H,8,
    9)/p-2/t2-/m1/s1;
    QFBHYOKSQPPXHZ-UWTATZPHSA-L    		 C(=C(O)[O-])C(C(=O)[O-])O; C(=C(\O)/[O-]
    )\[C@H](C(=O)[O-])O; O[CH](C=C(O)[O-])C(
    [O-])=O; [O-]/C(O)=C/C(O)C([O-])=O; O[C@
    H](\C=C(O)\[O-])C([O-])=O    		 MALATE LIKE INTERMEDIATE
    38037
    TEP
    CHEMBL190
    DB00277
    ZINC000018043251    		 22 C7 H8 N4 O2 InChI=1S/C7H8N4O2/c1-10-5
    -4(8-3-9-5)6(12)11(2)7(10
    )13/h3H,1-2H3,(H,8,9);
    ZFXYFBGIUFBOJW-UHFFFAOYSA-N    		 CN1c2c([nH]cn2)C(=O)N(C1=O)C; CN1C(=O)N(
    C)c2nc[nH]c2C1=O; O=C2N(c1ncnc1C(=O)N2C)
    C    		 THEOPHYLLINE
    38038
    TEQ
    CHEMBL5178494    		 1 C21 H19 F N6 InChI=1S/C21H19FN6/c1-12-
    13(5-3-9-24-12)19-10-18(2
    7-21-16(22)11-25-28(19)21
    )14-4-2-6-17-15(14)7-8-20
    (23)26-17/h2-9,11,18-19,2
    7H,10H2,1H3,(H2,23,26)/t1
    8-,19+/m0/s1;
    WSRZNMRSHUJOED-RBUKOAKNSA-N    		 Cc1ncccc1[C@H]2C[C@H](Nc3n2ncc3F)c4cccc5
    nc(N)ccc45; Cc1c(cccn1)[C@H]2C[C@H](Nc3n
    2ncc3F)c4cccc5c4ccc(n5)N; Cc1c(cccn1)C2C
    C(Nc3n2ncc3F)c4cccc5c4ccc(n5)N; Cc1ncccc
    1[CH]2C[CH](Nc3n2ncc3F)c4cccc5nc(N)ccc45    		 5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine;
    5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
    38039
    TER
    CHEMBL151993
    ZINC000027564039    		 5 C10 H26 N4 InChI=1S/C10H26N4/c11-5-1
    -2-7-13-9-4-10-14-8-3-6-1
    2/h13-14H,1-12H2;
    DODDBCGMRAFLEB-UHFFFAOYSA-N    		 C(CCNCCCNCCCN)CN; N(CCCCN)CCCNCCCN; NCCC
    CNCCCNCCCN    		 N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE;
    THERMOSPERMINE;
    PA(334)
    38040
    TES
    CHEMBL386630
    DB00624
    ZINC000118912393    		 57 C19 H28 O2 InChI=1S/C19H28O2/c1-18-9
    -7-13(20)11-12(18)3-4-14-
    15-5-6-17(21)19(15,2)10-8
    -16(14)18/h11,14-17,21H,3
    -10H2,1-2H3/t14-,15-,16-,
    17-,18-,19-/m0/s1;
    MUMGGOZAMZWBJJ-DYKIIFRCSA-N    		 CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C; C[C
    @]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4
    =CC(=O)CC[C@]34C; C[C@]12CC[C@H]3[C@@H](
    CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O;
    C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[C
    H]1CC[CH]2O; O=C4C=C3C(C2CCC1(C(CCC1O)C2
    CC3)C)(C)CC4    		 TESTOSTERONE
    38041
    TET
    ZINC000098209447    		 1 C20 H31 F N3 O23 P3 InChI=1S/C20H31FN3O23P3/c
    1-7(26)22-11-15(44-20(6-2
    1,18(31)32)46-48(34,35)36
    )13(29)8(4-25)43-17(11)45
    -50(39,40)47-49(37,38)41-
    5-9-12(28)14(30)16(42-9)2
    4-3-2-10(27)23-19(24)33/h
    2-3,8-9,11-17,25,28-30H,4
    -6H2,1H3,(H,22,26)(H,31,3
    2)(H,37,38)(H,39,40)(H,23
    ,27,33)(H2,34,35,36)/t8-,
    9-,11-,12-,13-,14-,15-,16
    -,17-,20+/m1/s1;
    FUDVRUWZNPQAFR-BVDGEXFOSA-N    		 O=P(OC1OC(C(O)C(OC(OP(=O)(O)O)(C(=O)O)CF
    )C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(
    =O)NC2=O)C(O)C3O; CC(=O)N[C@@H]1[C@H]([C
    @@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=
    O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=
    CC(=O)NC3=O)O)O)CO)O)O[C@](CF)(C(=O)O)OP
    (=O)(O)O; CC(=O)N[CH]1[CH](O[CH](CO)[CH]
    (O)[CH]1O[C](CF)(O[P](O)(O)=O)C(O)=O)O[P
    ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[
    CH]2O)N3C=CC(=O)NC3=O; CC(=O)N[C@H]1[C@H
    ](O[C@H](CO)[C@@H](O)[C@@H]1O[C@@](CF)(O
    [P](O)(O)=O)C(O)=O)O[P@](O)(=O)O[P@](O)(
    =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=C
    C(=O)NC3=O; CC(=O)NC1C(C(C(OC1OP(=O)(O)O
    P(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O
    )CO)O)OC(CF)(C(=O)O)OP(=O)(O)O    		 URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL-3-FLUORO-2-PHOSPHONOOXY)PROPIONIC ACID
    38042
    TEU
    ZINC000031475103    		 3 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    4(15)7(17)8(18)5(16)3-22-
    12-11(21)10(20)9(19)6(2-1
    4)23-12/h4,6-15,17-21H,1-
    3H2/t4-,6-,7-,8-,9-,10+,1
    1-,12+/m1/s1;
    NMELTECMHKKXLF-DGQJZECASA-N    		 OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[C@H]
    1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O; C([
    C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O
    )[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O; O
    =C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO;
    C(C1C(C(C(C(O1)OCC(=O)C(C(C(CO)O)O)O)O)
    O)O)O; OC[CH](O)[CH](O)[CH](O)C(=O)CO[CH
    ]1O[CH](CO)[CH](O)[CH](O)[CH]1O    		 1-O-alpha-D-glucopyranosyl-D-fructose;
    1-O-alpha-D-glucosyl-D-fructose;
    1-O-D-glucosyl-D-fructose;
    1-O-glucosyl-D-fructose
    38043
    TEV    		 4 C6 H6 N2 O3 InChI=1S/C6H6N2O3/c1-3-2-
    4(5(9)10)8-6(11)7-3/h2H2,
    1H3,(H,9,10);
    ZTBNONONIFESFB-UHFFFAOYSA-N    		 CC1=NC(=O)N=C(C1)C(=O)O; O=C1N=C(CC(=N1)
    C)C(O)=O; CC1=NC(=O)N=C(C1)C(O)=O    		 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid
    38044
    TEW    		 55 O24 Te W6 InChI=1S/O6Te.H2O.17O.6W/
    c1-7(2,3,4,5)6;;;;;;;;;;;
    ;;;;;;;;;;;;;/h;1H2;;;;;;
    ;;;;;;;;;;;;;;;;;/q;;;;;;
    ;;;;;;;6*-1;;;;;;+1/p-1;
    JDLYBIMRCSJRQJ-UHFFFAOYSA-M    		 [O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(
    =O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8
    [W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])
    [O-])[O]    		 6-tungstotellurate(VI)
    38045
    TEX
    CHEMBL5172923
    ZINC000031333229    		 35 C27 H39 N3 O2 InChI=1S/C27H39N3O2/c1-8-
    27(6,13-9-10-17(2)3)21-11
    -12-22-23-19(15-28-24(21)
    23)14-20(16-31)29-26(32)2
    5(18(4)5)30(22)7/h8,10-12
    ,15,18,20,25,28,31H,1,9,1
    3-14,16H2,2-7H3,(H,29,32)
    /t20-,25-,27-/m0/s1;
    KISDGNGREAJPQR-OICBGKIFSA-N    		 CC(C)C1C(=O)NC(Cc2c[nH]c3c2c(ccc3C(C)(CC
    C=C(C)C)C=C)N1C)CO; CC(C)[CH]1N(C)c2ccc(
    c3[nH]cc(C[CH](CO)NC1=O)c23)[C](C)(CCC=C
    (C)C)C=C; CC(C)[C@@H]1N(C)c2ccc(c3[nH]cc
    (C[C@@H](CO)NC1=O)c23)[C@](C)(CCC=C(C)C)
    C=C; CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c
    2c(ccc3[C@](C)(CCC=C(C)C)C=C)N1C)CO; c1c
    c(c3c2c1N(C)C(C(=O)NC(Cc2cn3)CO)C(C)C)C(
    C)([C@H]=C)CC\C=C(/C)C    		 (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one;
    Teleocidin A 1
    38046
    TEY
    CHEMBL2407821
    ZINC000096273217    		 1 C30 H48 N4 O3 InChI=1S/C30H48N4O3/c1-20
    (8-6-15-29(3,4)37)25-12-1
    3-26-22(9-7-16-30(25,26)5
    )10-11-23-18-27(35)24(28(
    36)21(23)2)14-17-34-32-19
    -31-33-34/h10-11,19-20,24
    -28,35-37H,2,6-9,12-18H2,
    1,3-5H3/b22-10+,23-11-/t2
    0-,24+,25-,26+,27-,28-,30
    -/m1/s1;
    IFHRQILUGOUOIV-YVUZACRZSA-N    		 C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12
    C)=CC=C3C[CH](O)[CH](CCn4ncnn4)[CH](O)C3
    =C; C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(/
    CCC[C@]12C)=C/C=C3/C[C@@H](O)[C@H](CCn4n
    cnn4)[C@H](O)C3=C; C[C@H](CCCC(C)(C)O)[C
    @H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@
    H]([C@@H]([C@@H](C3=C)O)CCn4ncnn4)O)C; C
    C(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C
    (C3=C)O)CCn4ncnn4)O)C; n1cnnn1CCC4C(O)CC
    (=C\C=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CCC23
    )\C(=C)C4O
    38047
    TEZ
    CHEMBL1308822
    ZINC000000258308    		 2 C8 H7 N3 O S InChI=1S/C8H7N3OS/c1-5(12
    )9-6-2-3-7-8(4-6)11-13-10
    -7/h2-4H,1H3,(H,9,12);
    DCJCIZAANYCYFG-UHFFFAOYSA-N    		 CC(=O)Nc1ccc2nsnc2c1; CC(=O)Nc1ccc2c(c1)
    nsn2    		 N-(2,1,3-Benzothiadiazol-5-yl)acetamide;
    ~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide
    38048
    TF0    		 0 C14 H25 N O11 InChI=1S/C14H25NO11/c1-4(
    18)15-7-12(9(20)6(3-17)24
    -13(7)23)26-14-11(22)10(2
    1)8(19)5(2-16)25-14/h5-14
    ,16-17,19-23H,2-3H2,1H3,(
    H,15,18)/t5-,6-,7-,8+,9+,
    10+,11-,12-,13+,14+/m1/s1;
    HMQPEDMEOBLSQB-IQKNWYLPSA-N    		 CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)
    [C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O
    )[C@H]2O; CC(=O)N[C@@H]1[C@H]([C@H]([C@H
    ](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@
    H]([C@H](O2)CO)O)O)O; C2(O)C(OC1C(NC(C)=
    O)C(OC(C1O)CO)O)OC(CO)C(C2O)O; CC(=O)NC1
    C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)CO)O)O)O;
    CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O    		 2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose;
    TF antigen
    38049
    TF1
    CHEMBL316388
    DB08608
    ZINC000003941524    		 2 C18 H20 F3 N3 O3 InChI=1S/C18H20F3N3O3/c1-
    11-10-24(16(26)17(3,27)18
    (19,20)21)12(2)9-23(11)15
    (25)14-6-4-13(8-22)5-7-14
    /h4-7,11-12,27H,9-10H2,1-
    3H3/t11-,12+,17-/m1/s1;
    IWFSHKKFDSWNLZ-BWACUDIHSA-N    		 C[CH]1CN([CH](C)CN1C(=O)c2ccc(cc2)C#N)C(
    =O)[C](C)(O)C(F)(F)F; C[C@@H]1CN([C@@H](
    C)CN1C(=O)c2ccc(cc2)C#N)C(=O)[C@@](C)(O)
    C(F)(F)F; CC1CN(C(CN1C(=O)C(C)(C(F)(F)F)
    O)C)C(=O)c2ccc(cc2)C#N; O=C(c1ccc(C#N)cc
    1)N2CC(N(C(=O)C(O)(C)C(F)(F)F)CC2C)C; C[
    C@H]1CN([C@@H](CN1C(=O)[C@](C)(C(F)(F)F)
    O)C)C(=O)c2ccc(cc2)C#N    		 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE
    38050
    TF2
    DB08609
    ZINC000001547315    		 1 C19 H21 F3 N2 O4 S InChI=1S/C19H21F3N2O4S/c1
    -4-24(14-8-6-5-7-9-14)29(
    27,28)15-10-11-16(13(2)12
    -15)23-17(25)18(3,26)19(2
    0,21)22/h5-12,26H,4H2,1-3
    H3,(H,23,25)/t18-/m1/s1;
    SHEIQJGQDUYUBE-GOSISDBHSA-N    		 O=S(=O)(N(c1ccccc1)CC)c2ccc(NC(=O)C(O)(C
    )C(F)(F)F)c(c2)C; CCN(c1ccccc1)S(=O)(=O)
    c2ccc(c(c2)C)NC(=O)C(C)(C(F)(F)F)O; CCN(
    c1ccccc1)[S](=O)(=O)c2ccc(NC(=O)[C](C)(O
    )C(F)(F)F)c(C)c2; CCN(c1ccccc1)[S](=O)(=
    O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c2
    ; CC[N@@](c1ccccc1)S(=O)(=O)c2ccc(c(c2)C
    )NC(=O)[C@](C)(C(F)(F)F)O    		 (N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE
    38051
    TF3
    CHEMBL1236255
    DB08610
    ZINC000016051834    		 12 C20 H25 Cl N2 O2 InChI=1S/C20H25ClN2O2/c1-
    14(2)17-6-3-15(4-7-17)13-
    25-19-8-5-16(11-18(19)21)
    12-20(24)23-10-9-22/h3-8,
    11,14H,9-10,12-13,22H2,1-
    2H3,(H,23,24);
    DFXJYVQAAFOZDP-UHFFFAOYSA-N    		 Clc2cc(ccc2OCc1ccc(cc1)C(C)C)CC(=O)NCCN;
    CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN
    ; CC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc
    1    		 N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE
    38052
    TF4
    CHEMBL13960
    DB08809
    ZINC000003830689    		 4 C2 H2 Cl2 O2 InChI=1S/C2H2Cl2O2/c3-1(4
    )2(5)6/h1H,(H,5,6);
    JXTHNDFMNIQAHM-UHFFFAOYSA-N    		 ClC(Cl)C(=O)O; C(C(=O)O)(Cl)Cl; OC(=O)C(
    Cl)Cl    		 DICHLORO-ACETIC ACID
    38053
    TF5
    DB08611
    ZINC000053683246    		 2 C14 H11 F3 O2 InChI=1S/C14H11F3O2/c15-1
    1-6-5-10(13(16)14(11)17)9
    -3-1-2-4-12(9)19-8-7-18/h
    1-6,18H,7-8H2;
    AGXPXFPIOHNDAN-UHFFFAOYSA-N    		 OCCOc1ccccc1c2ccc(F)c(F)c2F; c1ccc(c(c1)
    c2ccc(c(c2F)F)F)OCCO; Fc2ccc(c1ccccc1OCC
    O)c(F)c2F    		 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL
    38054
    TF6    		 0 C19 H19 F3 N2 O3 InChI=1S/C19H19F3N2O3/c20
    -19(21,22)15-4-5-17(23-12
    -15)27-16-3-1-2-14(11-16)
    10-13-6-8-24(9-7-13)18(25
    )26/h1-5,11-13H,6-10H2,(H
    ,25,26);
    KUEKMTNOUPAOBS-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(C(=O
    )O)CC3; c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)C
    C3CCN(CC3)C(=O)O; OC(=O)N1CCC(CC1)Cc2ccc
    c(Oc3ccc(cn3)C(F)(F)F)c2    		 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
    38055
    TF7    		 1 C7 H14 N4 O4 S InChI=1S/C7H14N4O4S/c1-7(
    16(14)15,5(8)6(12)13)4-11
    -3-2-9-10-11/h2-3,5,14-16
    H,4,8H2,1H3,(H,12,13)/t5-
    ,7-/m0/s1;
    YZPZKAQMEJGYGB-FSPLSTOPSA-N    		 C[C@](Cn1ccnn1)([C@H](C(=O)O)N)S(O)O; O=
    C(O)C(N)C(S(O)O)(Cn1nncc1)C; C[C](Cn1ccn
    n1)([CH](N)C(O)=O)[SH](O)O; CC(Cn1ccnn1)
    (C(C(=O)O)N)S(O)O; C[C@](Cn1ccnn1)([C@@H
    ](N)C(O)=O)[SH](O)O    		 (3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine
    38056
    TF8    		 2 C6 H12 O6 InChI=1S/C6H12O6/c1-2(7)3
    (8)4(9)5(10)6(11)12/h2-5,
    7-10H,1H3,(H,11,12)/t2-,3
    -,4-,5+/m0/s1;
    NBFWIISVIFCMDK-NEEWWZBLSA-N    		 C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O; CC(
    C(C(C(C(=O)O)O)O)O)O; C[C@@H]([C@@H]([C@
    @H]([C@H](C(=O)O)O)O)O)O; C[C@H](O)[C@H]
    (O)[C@H](O)[C@@H](O)C(O)=O    		 (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid;
    (2~{R},3~{S},4~{S},5~{S})-2,3,4,5-tetrakis(oxidanyl)hexanoic acid
    38057
    TF9    		 1 C15 H20 N2 O4 S InChI=1S/C15H20N2O4S/c1-1
    1(18)12-7-9-14(10-8-12)22
    (20,21)17-15(19)16-13-5-3
    -2-4-6-13/h7-10,13H,2-6H2
    ,1H3,(H2,16,17,19);
    VGZSUPCWNCWDAN-UHFFFAOYSA-N    		 CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2
    ; CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CC
    CCC2    		 acetohexamide;
    1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea
    38058
    TFA
    CHEMBL506259
    ZINC000003860798    		 80 C2 H F3 O2 InChI=1S/C2HF3O2/c3-2(4,5
    )1(6)7/h(H,6,7);
    DTQVDTLACAAQTR-UHFFFAOYSA-N    		 FC(F)(F)C(=O)O; OC(=O)C(F)(F)F; C(=O)(C(
    F)(F)F)O    		 trifluoroacetic acid
    38059
    TFB
    ZINC000002164321    		 27 C5 H8 O3 InChI=1S/C5H8O3/c6-5(7)4-
    2-1-3-8-4/h4H,1-3H2,(H,6,
    7)/t4-/m0/s1;
    UJJLJRQIPMGXEZ-BYPYZUCNSA-N    		 C1CC(OC1)C(=O)O; O=C(O)C1OCCC1; C1C[C@H]
    (OC1)C(=O)O; OC(=O)[C@@H]1CCCO1; OC(=O)[
    CH]1CCCO1    		 TETRAHYDROFURAN-2-CARBOXYLIC ACID
    38060
    TFC
    CHEMBL89506
    DB08612
    ZINC000034803731    		 1 C11 H19 F3 O S InChI=1S/C11H19F3OS/c1-2-
    3-4-5-6-7-8-16-9-10(15)11
    (12,13)14/h2-9H2,1H3;
    WMQHRXUKAYSPPK-UHFFFAOYSA-N    		 FC(F)(F)C(=O)CSCCCCCCCC; CCCCCCCCSCC(=O)
    C(F)(F)F    		 1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE
    38061
    TFD
    CHEMBL2392771
    ZINC000020458540    		 1 C18 H16 Cl F3 N6 InChI=1S/C18H16ClF3N6/c1-
    11-15(19)17(28-16(26-11)1
    2-5-2-3-8-23-12)25-10-9-2
    4-14-7-4-6-13(27-14)18(20
    ,21)22/h2-8H,9-10H2,1H3,(
    H,24,27)(H,25,26,28);
    BDLJLGRTYOMPEG-UHFFFAOYSA-N    		 Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)
    (F)F)Cl; Cc1nc(nc(NCCNc2cccc(n2)C(F)(F)F
    )c1Cl)c3ccccn3; FC(F)(F)c1nc(ccc1)NCCNc2
    nc(nc(c2Cl)C)c3ncccc3    		 N-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-N'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
    38062
    TFE
    ZINC000058632786    		 0 C12 H16 F3 N2 O9 P InChI=1S/C12H16F3N2O9P/c1
    -5-2-17(11(20)16-9(5)19)1
    0-8(24-4-12(13,14)15)7(18
    )6(26-10)3-25-27(21,22)23
    /h2,6-8,10,18H,3-4H2,1H3,
    (H,16,19,20)(H2,21,22,23)
    /t6-,7-,8-,10-/m1/s1;
    YTGJEPUSXBDJRJ-FDDDBJFASA-N    		 FC(F)(F)COC2C(O)C(OC2N1C(=O)NC(=O)C(=C1)
    C)COP(=O)(O)O; CC1=CN(C(=O)NC1=O)[C@H]2[
    C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(
    F)(F)F; CC1=CN([CH]2O[CH](CO[P](O)(O)=O)
    [CH](O)[CH]2OCC(F)(F)F)C(=O)NC1=O; CC1=C
    N([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[
    C@H]2OCC(F)(F)F)C(=O)NC1=O; CC1=CN(C(=O)
    NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCC(F)(F)
    F    		 2'-O-[2-(TRIFLUORO)ETHYL] THYMIDINE-5'-MONOPHOSPHATE
    38063
    TFF
    ZINC000058655529    		 1 C12 H17 F4 N2 O12 P3 InChI=1S/C12H17F4N2O12P3/
    c1-5-3-18(10(21)17-9(5)20
    )8-2-6(19)7(30-8)4-29-33(
    27,28)12(15,16)31(22,23)1
    1(13,14)32(24,25)26/h3,6-
    8,19H,2,4H2,1H3,(H,22,23)
    (H,27,28)(H,17,20,21)(H2,
    24,25,26)/t6-,7+,8+/m0/s1;
    HHJYLFURQLSDJT-XLPZGREQSA-N    		 CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)C(F
    )(F)[P](O)(=O)C(F)(F)[P](O)(O)=O)O2)C(=O
    )NC1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(
    =O)(C(F)(F)P(=O)(C(F)(F)P(=O)(O)O)O)O)O;
    CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O
    2)CO[P@@](=O)(C(F)(F)[P@@](=O)(C(F)(F)P(
    =O)(O)O)O)O)O; CC1=CN([C@H]2C[C@H](O)[C@
    @H](CO[P](O)(=O)C(F)(F)[P](O)(=O)C(F)(F)
    [P](O)(O)=O)O2)C(=O)NC1=O    		 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine
    38064
    TFG
    DB08613
    ZINC000016052634    		 9 C19 H16 F3 N3 O3 S InChI=1S/C19H16F3N3O3S/c2
    0-19(21,22)18(27,28)15-7-
    6-14(29-15)17(26)24-8-9-2
    5-13(10-23-16(25)11-24)12
    -4-2-1-3-5-12/h1-7,10,27-
    28H,8-9,11H2;
    OFBFUNBBOQCNFX-UHFFFAOYSA-N    		 O=C(c1sc(cc1)C(O)(O)C(F)(F)F)N4Cc3ncc(c2
    ccccc2)n3CC4; OC(O)(c1sc(cc1)C(=O)N2CCn3
    c(C2)ncc3c4ccccc4)C(F)(F)F; c1ccc(cc1)c2
    cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O
    )O    		 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL
    38065
    TFH    		 0 N2 InChI=1/N2/c1-2;
    IJGRMHOSHXDMSA-UHFFFAOYAF    		 N#N NITROGEN OF TRIFLUORO-ETHYLHYDRAZINE
    38066
    TFI
    DB03202
    ZINC000003870765    		 1 C19 H22 F3 N5 O5 S InChI=1S/C19H22F3N5O5S/c1
    -10(2)15(16(29)19(20,21)2
    2)25-14(28)9-27-17(11-4-6
    -12(23)7-5-11)24-8-13(18(
    27)30)26-33(3,31)32/h4-8,
    10,15,26H,9,23H2,1-3H3,(H
    ,25,28)/t15-/m0/s1;
    JWSWTHSJMGVOKE-HNNXBMFYSA-N    		 FC(F)(F)C(=O)C(NC(=O)CN2C(=O)C(=CN=C2c1c
    cc(N)cc1)NS(=O)(=O)C)C(C)C; CC(C)[C@@H](
    C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=
    O)(=O)C)c2ccc(cc2)N; CC(C)[CH](NC(=O)CN1
    C(=O)C(=CN=C1c2ccc(N)cc2)N[S](C)(=O)=O)C
    (=O)C(F)(F)F; CC(C)[C@H](NC(=O)CN1C(=O)C
    (=CN=C1c2ccc(N)cc2)N[S](C)(=O)=O)C(=O)C(
    F)(F)F; CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(
    =NC=C(C1=O)NS(=O)(=O)C)c2ccc(cc2)N    		 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE
    38067
    TFJ    		 1 C32 H58 N2 O8 InChI=1S/C32H58N2O8/c1-9-
    34(21-35)18-16-24(5)31(39
    -8)25(6)26(42-32(37)27-12
    -11-19-40-27)15-14-23(4)2
    9(38-7)20-28(22(2)3)41-30
    (36)13-10-17-33/h16,18,21
    -29,31H,9-15,17,19-20,33H
    2,1-8H3/b18-16+/t23-,24+,
    25-,26+,27+,28-,29-,31+/m
    0/s1;
    DFAGFTKICVXUOP-RYYFKAAMSA-N    		 CCN(C=O)C=C[CH](C)[CH](OC)[CH](C)[CH](CC
    [CH](C)[CH](C[CH](OC(=O)CCCN)C(C)C)OC)OC
    (=O)[CH]1CCCO1; CCN(/C=C/[C@@H](C)[C@H](
    [C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@@H](
    C(C)C)OC(=O)CCCN)OC)OC(=O)[C@H]1CCCO1)OC
    )C=O; CCN(C=O)/C=C/[C@@H](C)[C@@H](OC)[C
    @@H](C)[C@@H](CC[C@H](C)[C@H](C[C@H](OC(
    =O)CCCN)C(C)C)OC)OC(=O)[C@H]1CCCO1; CCN(
    C=CC(C)C(C(C)C(CCC(C)C(CC(C(C)C)OC(=O)CC
    CN)OC)OC(=O)C1CCCO1)OC)C=O; N(C=O)([C@H]
    =CC(C(C(C)C(CCC(C(OC)CC(C(C)C)OC(=O)CCCN
    )C)OC(C1OCCC1)=O)OC)C)CC    		 (1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate
    38068
    TFK
    DB08614
    ZINC000003870910    		 1 C20 H23 F3 N4 O5 S InChI=1S/C20H23F3N4O5S/c1
    -12(2)17(18(29)20(21,22)2
    3)25-16(28)11-27-15(13-7-
    5-4-6-8-13)10-9-14(19(27)
    30)26-33(31,32)24-3/h4-10
    ,12,17,24,26H,11H2,1-3H3,
    (H,25,28)/t17-/m0/s1;
    MYFMPKCOIMRDDD-KRWDZBQOSA-N    		 O=C(NC(C(=O)C(F)(F)F)C(C)C)CN1C(=CC=C(C1
    =O)NS(=O)(=O)NC)c2ccccc2; CC(C)C(C(=O)C(
    F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NS(=O)(=O)N
    C)c2ccccc2; CN[S](=O)(=O)NC1=CC=C(N(CC(=
    O)N[CH](C(C)C)C(=O)C(F)(F)F)C1=O)c2ccccc
    2; CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(
    =CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2; CN[S](
    =O)(=O)NC1=CC=C(N(CC(=O)N[C@@H](C(C)C)C(
    =O)C(F)(F)F)C1=O)c2ccccc2    		 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE
    38069
    TFL
    DB08615
    ZINC000038539054    		 1 C16 H17 N2 O S InChI=1S/C16H16N2OS/c1-17
    (2)12-6-4-11(5-7-12)16-18
    (3)14-9-8-13(19)10-15(14)
    20-16/h4-10H,1-3H3/p+1;
    NOVJJPLRUMZSDK-UHFFFAOYSA-O    		 Oc3ccc1c(sc([n+]1C)c2ccc(N(C)C)cc2)c3; C
    N(C)c1ccc(cc1)c2sc3cc(O)ccc3[n+]2C; C[n+
    ]1c2ccc(cc2sc1c3ccc(cc3)N(C)C)O    		 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM
    38070
    TFM
    CHEMBL323542
    DB02991
    ZINC000003872533    		 2 C10 H11 F3 N2 S InChI=1S/C10H11F3N2S/c1-2
    -16-9(14)15-8-5-3-7(4-6-8
    )10(11,12)13/h3-6H,2H2,1H
    3,(H2,14,15);
    LCMOXIFARISMOH-UHFFFAOYSA-N    		 CCSC(=Nc1ccc(cc1)C(F)(F)F)N; CCSC(N)=Nc1
    ccc(cc1)C(F)(F)F; FC(F)(F)c1ccc(\N=C(/SC
    C)N)cc1    		 S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA
    38071
    TFN
    CHEMBL4589300
    ZINC000034417662    		 1 C24 H33 N5 O5 S InChI=1S/C24H33N5O5S/c1-2
    4(2,3)34-15-20(29-35(32,3
    3)16-18-7-5-4-6-8-18)23(3
    1)28-14-21(30)27-13-17-9-
    11-19(12-10-17)22(25)26/h
    4-12,20,29H,13-16H2,1-3H3
    ,(H3,25,26)(H,27,30)(H,28
    ,31)/t20-/m1/s1;
    NAEBSNBHOZLKPM-HXUWFJFHSA-N    		 [H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](
    COC(C)(C)C)NS(=O)(=O)Cc2ccccc2)\N; CC(C)
    (C)OC[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)NCC
    (=O)NCc2ccc(cc2)C(N)=N; O=S(=O)(NC(C(=O)
    NCC(=O)NCc1ccc(C(=[N@H])N)cc1)COC(C)(C)C
    )Cc2ccccc2; CC(C)(C)OC[C@@H](N[S](=O)(=O
    )Cc1ccccc1)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=
    N; CC(C)(C)OCC(C(=O)NCC(=O)NCc1ccc(cc1)C
    (=N)N)NS(=O)(=O)Cc2ccccc2    		 N-(benzylsulfonyl)-O-tert-butyl-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide
    38072
    TFO
    CHEMBL483
    DB14126
    ZINC000001543475    		 1 C9 H14 N5 O4 P InChI=1S/C9H14N5O4P/c1-6(
    18-5-19(15,16)17)2-14-4-1
    3-7-8(10)11-3-12-9(7)14/h
    3-4,6H,2,5H2,1H3,(H2,10,1
    1,12)(H2,15,16,17)/t6-/m1
    /s1;
    SGOIRFVFHAKUTI-ZCFIWIBFSA-N    		 C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O; O=P(
    O)(O)COC(C)Cn1c2ncnc(c2nc1)N; CC(Cn1cnc2
    c1ncnc2N)OCP(=O)(O)O; C[C@H](Cn1cnc2c(N)
    ncnc12)OC[P](O)(O)=O; C[CH](Cn1cnc2c(N)n
    cnc12)OC[P](O)(O)=O    		 [2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID;
    TENOFOVIR
    38073
    TFP
    CHEMBL422
    DB00831
    ZINC000019418959    		 113 C21 H24 F3 N3 S InChI=1S/C21H24F3N3S/c1-2
    5-11-13-26(14-12-25)9-4-1
    0-27-17-5-2-3-6-19(17)28-
    20-8-7-16(15-18(20)27)21(
    22,23)24/h2-3,5-8,15H,4,9
    -14H2,1H3;
    ZEWQUBUPAILYHI-UHFFFAOYSA-N    		 CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)
    (F)F; CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(
    F)(F)F)CC1; FC(F)(F)c2cc1N(c3c(Sc1cc2)cc
    cc3)CCCN4CCN(C)CC4    		 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
    38074
    TFQ
    DB08617
    ZINC000024981830    		 1 C11 H12 F3 N O2 InChI=1S/C11H12F3NO2/c12-
    11(13,14)6-8-3-1-7(2-4-8)
    5-9(15)10(16)17/h1-4,9H,5
    -6,15H2,(H,16,17)/t9-/m0/
    s1;
    VXIZYDKGLBPCAQ-VIFPVBQESA-N    		 c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F; N[C
    H](Cc1ccc(CC(F)(F)F)cc1)C(O)=O; c1cc(ccc
    1CC(C(=O)O)N)CC(F)(F)F; N[C@@H](Cc1ccc(C
    C(F)(F)F)cc1)C(O)=O; FC(F)(F)Cc1ccc(cc1)
    CC(C(=O)O)N    		 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE
    38075
    TFR
    ZINC000095920560    		 4 C11 H19 F3 N2 O4 InChI=1S/C11H19F3N2O4/c1-
    6(9(18)11(12,13)14)16-8(1
    7)5-3-2-4-7(15)10(19)20/h
    6-7,9,18H,2-5,15H2,1H3,(H
    ,16,17)(H,19,20)/t6-,7-,9
    +/m1/s1;
    GCYIIHHJPYOBBJ-BHNWBGBOSA-N    		 FC(F)(F)C(O)C(NC(=O)CCCCC(C(=O)O)N)C; C[
    CH](NC(=O)CCCC[CH](N)C(O)=O)[CH](O)C(F)(
    F)F; C[C@@H](NC(=O)CCCC[C@@H](N)C(O)=O)[
    C@H](O)C(F)(F)F; CC(C(C(F)(F)F)O)NC(=O)C
    CCCC(C(=O)O)N; C[C@H]([C@@H](C(F)(F)F)O)
    NC(=O)CCCC[C@H](C(=O)O)N    		 (2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid
    38076
    TFS
    CHEMBL1236265
    ZINC000011027584    		 2 C H F3 O3 S InChI=1S/CHF3O3S/c2-1(3,4
    )8(5,6)7/h(H,5,6,7);
    ITMCEJHCFYSIIV-UHFFFAOYSA-N    		 O[S](=O)(=O)C(F)(F)F; C(F)(F)(F)S(=O)(=O
    )O; FC(F)(F)S(=O)(=O)O    		 trifluoromethanesulfonic acid
    38077
    TFT
    ZINC000058632808    		 0 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c1-4-
    2-11(9(14)10-7(4)13)8-6(1
    2)5(3-18-8)19-20(15,16)17
    /h2,5-6,8,12H,3H2,1H3,(H,
    10,13,14)(H2,15,16,17)/t5
    -,6+,8+/m0/s1;
    DXLJIGGNYCUWOF-SHYZEUOFSA-N    		 CC1=CN([CH]2OC[CH](O[P](O)(O)=O)[CH]2O)C
    (=O)NC1=O; CC1=CN(C(=O)NC1=O)C2C(C(CO2)O
    P(=O)(O)O)O; CC1=CN(C(=O)NC1=O)[C@H]2[C@
    @H]([C@H](CO2)OP(=O)(O)O)O; CC1=CN([C@@H
    ]2OC[C@H](O[P](O)(O)=O)[C@H]2O)C(=O)NC1=
    O; O=C1NC(=O)N(C=C1C)C2OCC(OP(=O)(O)O)C2
    O    		 (L)-ALPHA-THREOFURANOSYL-THYMINE-3'-MONOPHOSPHATE
    38078
    TFU    		 6 C7 H14 O4 Se InChI=1S/C7H14O4Se/c1-3-4
    (8)5(9)6(10)7(11-3)12-2/h
    3-10H,1-2H3/t3-,4+,5+,6-,
    7+/m0/s1;
    VHTNTJQSKJZERS-CXNFULCWSA-N    		 C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O;
    C[Se][C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[
    C@@H]1O; CC1C(C(C(C(O1)[Se]C)O)O)O; C[C@
    H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O
    )O    		 methyl 1-seleno-beta-L-fucopyranoside;
    (2S,3S,4R,5S,6R)-2-methyl-6-methylselanyl-oxane-3,4,5-triol;
    methyl 6-deoxy-1-seleno-beta-L-galactopyranoside;
    methyl 1-seleno-beta-L-fucoside;
    methyl 1-seleno-L-fucoside;
    methyl 1-seleno-fucoside
    38079
    TFV
    CHEMBL2375628    		 1 C18 H16 Cl F3 N6 InChI=1S/C18H16ClF3N6/c1-
    11-15(19)17(28-16(27-11)1
    3-4-2-3-7-23-13)25-9-8-24
    -14-6-5-12(10-26-14)18(20
    ,21)22/h2-7,10H,8-9H2,1H3
    ,(H,24,26)(H,25,27,28);
    RKRMHCLBTVBYAU-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(nc1)NCCNc2nc(nc(c2Cl)C)c3n
    cccc3; Cc1nc(nc(NCCNc2ccc(cn2)C(F)(F)F)c
    1Cl)c3ccccn3; Cc1c(c(nc(n1)c2ccccn2)NCCN
    c3ccc(cn3)C(F)(F)F)Cl    		 N-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-N'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
    38080
    TFW
    ZINC000198677908    		 0 C11 H9 F3 N2 O2 InChI=1S/C11H9F3N2O2/c12-
    6-2-5-4(1-7(15)11(17)18)3
    -16-10(5)9(14)8(6)13/h2-3
    ,7,16H,1,15H2,(H,17,18)/t
    7-/m0/s1;
    HXKYSCPIZTWTQH-ZETCQYMHSA-N    		 c1c2c(c[nH]c2c(c(c1F)F)F)C[C@@H](C(=O)O)
    N; N[C@@H](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(
    O)=O; c1c2c(c[nH]c2c(c(c1F)F)F)CC(C(=O)O
    )N; N[CH](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O
    )=O    		 5,6,7-trifluoro-tryptophan;
    (2S)-2-azanyl-3-[5,6,7-tris(fluoranyl)-1H-indol-3-yl]propanoic acid
    38081
    TFX
    CHEMBL57267
    ZINC000003861628    		 53 C17 H19 N2 S InChI=1S/C17H19N2S/c1-12-
    5-10-15-16(11-12)20-17(19
    (15)4)13-6-8-14(9-7-13)18
    (2)3/h5-11H,1-4H3/q+1;
    FXEKRIDRIFBJOR-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C; Cc1
    ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C; s2c1
    cc(ccc1[n+](c2c3ccc(N(C)C)cc3)C)C    		 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium;
    Thioflavin T
    38082
    TFY
    CHEMBL2407822
    ZINC000096273216    		 1 C30 H48 N4 O3 InChI=1S/C30H48N4O3/c1-20
    (8-6-15-29(3,4)37)25-12-1
    3-26-22(9-7-16-30(25,26)5
    )10-11-23-18-27(35)24(28(
    36)21(23)2)14-17-34-19-31
    -32-33-34/h10-11,19-20,24
    -28,35-37H,2,6-9,12-18H2,
    1,3-5H3/b22-10+,23-11-/t2
    0-,24+,25-,26+,27-,28-,30
    -/m1/s1;
    JNEGSYOGGVGOIX-YVUZACRZSA-N    		 CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(
    C(C3=C)O)CCn4cnnn4)O)C; n1nnn(c1)CCC4C(O
    )CC(=C\C=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CC
    C23)\C(=C)C4O; C[CH](CCCC(C)(C)O)[CH]1CC
    [CH]2C(CCC[C]12C)=CC=C3C[CH](O)[CH](CCn4
    cnnn4)[CH](O)C3=C; C[C@H](CCCC(C)(C)O)[C
    @H]1CC[C@H]2C(/CCC[C@]12C)=C/C=C3/C[C@@H
    ](O)[C@H](CCn4cnnn4)[C@H](O)C3=C; C[C@H]
    (CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/
    C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)C
    Cn4cnnn4)O)C
    38083
    TFZ
    CHEMBL1615252
    ZINC000002168844    		 2 C14 H10 F3 N O InChI=1S/C14H10F3NO/c15-1
    4(16,17)12-9-5-4-8-11(12)
    13(19)18-10-6-2-1-3-7-10/
    h1-9H,(H,18,19);
    ZKPGLQPSAPAFAP-UHFFFAOYSA-N    		 FC(F)(F)c1ccccc1C(=O)Nc2ccccc2; c1ccc(cc
    1)NC(=O)c2ccccc2C(F)(F)F    		 N-phenyl-2-(trifluoromethyl)benzamide
    38084
    TG    		 0 C9 H11 N5 O7 P InChI=1S/C9H11N5O7P/c10-9
    -12-6-4(7(16)13-9)11-2-14
    (6)8-5(15)3(1-20-8)21-22(
    17,18)19/h2-3,5,8,15H,1H2
    ,(H,17,18,19)(H3,10,12,13
    ,16)/t3-,5+,8+/m0/s1;
    RGZPMPBDCRFFGY-OTEWCHCRSA-N    		 c1nc2c(n1C3C(C(CO3)OP(=O)(=O)O)O)N=C(NC2
    =O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3OC[C@H
    ](O[P](O)(=O)=O)[C@H]3O; c1nc2c(n1[C@H]3
    [C@@H]([C@H](CO3)OP(=O)(=O)O)O)N=C(NC2=O
    )N; NC1=Nc2n(cnc2C(=O)N1)[CH]3OC[CH](O[P
    ](O)(=O)=O)[CH]3O    		 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one
    38085
    TG0
    CHEMBL3260851
    ZINC000098209448    		 4 C24 H26 N4 O3 S InChI=1S/C24H26N4O3S/c1-1
    4-19(4-3-5-20(14)25)24(31
    )28-12-18(29)10-21(28)23(
    30)26-11-16-6-8-17(9-7-16
    )22-15(2)27-13-32-22/h3-9
    ,13,18,21,29H,10-12,25H2,
    1-2H3,(H,26,30)/t18-,21+/
    m1/s1;
    AFUSGLDYQSDIEU-NQIIRXRSSA-N    		 Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=
    O)c4cccc(N)c4C)cc2; Cc1c(cccc1N)C(=O)N2C
    C(CC2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O; O=C(
    c1cccc(N)c1C)N2CC(O)CC2C(=O)NCc4ccc(c3sc
    nc3C)cc4; Cc1c(cccc1N)C(=O)N2C[C@@H](C[C
    @H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O; Cc1nc
    sc1c2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O
    )c4cccc(N)c4C)cc2    		 (2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
    38086
    TG1
    CHEMBL96926
    ZINC000008195655    		 18 C34 H50 O12 InChI=1S/C34H50O12/c1-9-1
    2-13-14-15-17-24(37)43-28
    -26-25(20(5)27(28)44-30(3
    8)19(4)11-3)29-34(41,33(8
    ,40)31(39)45-29)22(42-23(
    36)16-10-2)18-32(26,7)46-
    21(6)35/h11,22,26-29,40-4
    1H,9-10,12-18H2,1-8H3/b19
    -11-/t22-,26+,27-,28-,29-
    ,32-,33+,34+/m0/s1;
    IXFPJGBNCFXKPI-FSIHEZPISA-N    		 CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(
    =O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(
    C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
    ; O=C3OC2C1=C(C(OC(=O)\C(=C/C)C)C(OC(=O)
    CCCCCCC)C1C(OC(=O)C)(CC(OC(=O)CCC)C2(O)C
    3(O)C)C)C; CCCCCCCC(=O)O[C@@H]1[C@@H](OC
    (=O)\C(C)=C/C)C(=C2[C@@H]3OC(=O)[C@@](C)
    (O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H
    ]12)OC(=O)CCC)C; CCCCCCCC(=O)O[CH]1[CH](
    OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[
    C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)
    CCC)C; CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=
    CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(
    C(=O)O3)(C)O)O    		 OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER;
    THAPSIGARGIN
    38087
    TG2    		 3 C18 H17 N O4 InChI=1S/C18H17NO4/c20-17
    (21)16-10-15(11-19-16)23-
    18(22)14-8-6-13(7-9-14)12
    -4-2-1-3-5-12/h1-9,15-16,
    19H,10-11H2,(H,20,21)/t15
    -,16-/m1/s1;
    GCIZCIZLSHSWDS-HZPDHXFCSA-N    		 c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)
    O; OC(=O)[CH]1C[CH](CN1)OC(=O)c2ccc(cc2)
    c3ccccc3; OC(=O)[C@H]1C[C@H](CN1)OC(=O)c
    2ccc(cc2)c3ccccc3    		 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
    38088
    TG3    		 6 C33 H52 N4 O8 InChI=1S/C33H52N4O8/c1-8-
    43-27(38)15-14-25(19-24-1
    6-17-34-29(24)39)35-30(40
    )26(18-21(2)3)36-31(41)28
    (22(4)45-33(5,6)7)37-32(4
    2)44-20-23-12-10-9-11-13-
    23/h9-13,21-22,24-26,28H,
    8,14-20H2,1-7H3,(H,34,39)
    (H,35,40)(H,36,41)(H,37,4
    2)/t22-,24+,25-,26+,28+/m
    1/s1;
    GENYQFMDDNZIRG-UCWBBBRQSA-N    		 CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C
    @H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)
    C)NC(=O)OCc2ccccc2; CCOC(=O)CCC(CC1CCNC1
    =O)NC(=O)C(CC(C)C)NC(=O)C(C(C)OC(C)(C)C)
    NC(=O)OCc2ccccc2; CCOC(=O)CC[CH](C[CH]1C
    CNC1=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=
    O)OCc2ccccc2)[CH](C)OC(C)(C)C; CCOC(=O)C
    C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)
    C)NC(=O)[C@@H](NC(=O)OCc2ccccc2)[C@@H](C
    )OC(C)(C)C    		 ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
    38089
    TG4    		 1 C14 H23 N3 O3 S InChI=1S/C14H23N3O3S/c1-2
    -3-9-16-11-14(18)17-10-8-
    12-4-6-13(7-5-12)21(15,19
    )20/h4-7,16H,2-3,8-11H2,1
    H3,(H,17,18)(H2,15,19,20);
    IQOGKBSHXIOYJQ-UHFFFAOYSA-N    		 CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N; CCCC
    NCC(=O)NCCc1ccc(cc1)[S](N)(=O)=O    		 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide
    38090
    TG5
    ZINC000003426963    		 1 C12 H19 N3 O3 S InChI=1S/C12H19N3O3S/c1-2
    -3-8-14-9-12(16)15-10-4-6
    -11(7-5-10)19(13,17)18/h4
    -7,14H,2-3,8-9H2,1H3,(H,1
    5,16)(H2,13,17,18);
    RSJVJFMYAFZYGN-UHFFFAOYSA-N    		 CCCCNCC(=O)Nc1ccc(cc1)[S](N)(=O)=O; CCCC
    NCC(=O)Nc1ccc(cc1)S(=O)(=O)N    		 2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide
    38091
    TG6
    DB04277
    ZINC000085550138    		 5 C6 H13 O9 P InChI=1S/C6H13O9P/c7-1-3(
    8)5(10)6(11)4(9)2-15-16(1
    2,13)14/h4-7,9-11H,1-2H2,
    (H2,12,13,14)/t4-,5-,6+/m
    1/s1;
    GSXOAOHZAIYLCY-PBXRRBTRSA-N    		 OCC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=
    O; O=P(OCC(O)C(O)C(O)C(=O)CO)(O)O; OCC(=
    O)[C@@H](O)[C@@H](O)[C@H](O)CO[P](O)(O)=
    O; C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O; C([
    C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(
    O)O    		 6-O-phosphono-D-tagatose
    38092
    TG7    		 2 C21 H15 N3 O4 InChI=1S/C21H15N3O4/c25-2
    0(26)15-10-9-14(12-16(15)
    21(27)28)22-19-18(13-6-2-
    1-3-7-13)23-17-8-4-5-11-2
    4(17)19/h1-12,22H,(H,25,2
    6)(H,27,28);
    RSBAGHOCQVUFFP-UHFFFAOYSA-N    		 OC(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4)cc1C(
    O)=O; c1(nc3ccccn3c1Nc2cc(C(O)=O)c(C(O)=
    O)cc2)c4ccccc4; c1ccc(cc1)c2c(n3ccccc3n2
    )Nc4ccc(c(c4)C(=O)O)C(=O)O    		 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid
    38093
    TG8
    CHEMBL399755    		 2 C18 H22 N6 O11 P2 InChI=1S/C18H22N6O11P2/c1
    -20-10-5-3-2-4-9(10)18(26
    )34-14-11(6-32-37(30,31)3
    5-36(27,28)29)33-17(13(14
    )25)24-8-23-12-15(19)21-7
    -22-16(12)24/h2-5,7-8,11,
    13-14,17,20,25H,6H2,1H3,(
    H,30,31)(H2,19,21,22)(H2,
    27,28,29)/t11-,13-,14-,17
    -/m1/s1;
    ANMCUTJZONROBG-LSCFUAHRSA-N    		 CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2C
    O[P](O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34
    ; CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3ncn
    c4N)COP(=O)(O)OP(=O)(O)O; CNc1ccccc1C(=O
    )O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3n
    cnc4N)COP(=O)(O)OP(=O)(O)O; CNc1ccccc1C(
    =O)O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P](
    O)(=O)O[P](O)(O)=O)n3cnc4c(N)ncnc34    		 [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
    38094
    TG9    		 1 C17 H21 N3 S InChI=1S/C17H21N3S/c18-16
    (19)15-11-14(12-7-3-1-4-8
    -12)17(21-15)20-13-9-5-2-
    6-10-13/h1,3-4,7-8,11,13,
    20H,2,5-6,9-10H2,(H3,18,1
    9);
    LKLBQIAVDGFJNW-UHFFFAOYSA-N    		 NC(=N)c1sc(NC2CCCCC2)c(c1)c3ccccc3; [H]/
    N=C(/c1cc(c(s1)NC2CCCCC2)c3ccccc3)\N; c1
    ccc(cc1)c2cc(sc2NC3CCCCC3)C(=N)N    		 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide
    38095
    TGA
    ZINC000044169189    		 2 C8 H16 O6 S InChI=1S/C8H16O6S/c9-3-4-
    5(10)6(11)7(12)8(14-4)13-
    1-2-15/h4-12,15H,1-3H2/t4
    -,5+,6+,7-,8-/m1/s1;
    HUYFGRHVKQZODJ-DWOUCZDBSA-N    		 C(CS)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)
    CO)O)O)O; OC[CH]1O[CH](OCCS)[CH](O)[CH](
    O)[CH]1O; C(CS)OC1C(C(C(C(O1)CO)O)O)O; O
    C[C@H]1O[C@@H](OCCS)[C@H](O)[C@@H](O)[C@
    H]1O    		 2-sulfanylethyl beta-D-galactopyranoside;
    METHANETHIOSULFONYL-GALACTOSIDE;
    2-sulfanylethyl beta-D-galactoside;
    2-sulfanylethyl D-galactoside;
    2-sulfanylethyl galactoside
    38096
    TGB    		 2 C18 H23 N6 O13 P3 S InChI=1S/C18H23N6O13P3S/c
    1-20-10-5-3-2-4-9(10)18(2
    6)35-14-11(6-33-38(27,28)
    36-39(29,30)37-40(31,32)4
    1)34-17(13(14)25)24-8-23-
    12-15(19)21-7-22-16(12)24
    /h2-5,7-8,11,13-14,17,20,
    25H,6H2,1H3,(H,27,28)(H,2
    9,30)(H2,19,21,22)(H2,31,
    32,41)/t11-,13-,14-,17-/m
    1/s1;
    MAHRZZRRCDZDJN-LSCFUAHRSA-N    		 CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@
    H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O
    P(=O)(O)S; CNc1ccccc1C(=O)O[CH]2[CH](O)[
    CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)O[P](O)
    (S)=O)n3cnc4c(N)ncnc34; CNc1ccccc1C(=O)O
    [C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P](O)(=
    O)O[P](O)(=O)O[P](O)(S)=O)n3cnc4c(N)ncnc
    34; CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3n
    cnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)S    		 [[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
    38097
    TGC
    ZINC000197367232    		 1 C25 H40 N7 O19 P3 S2 InChI=1S/C25H40N7O19P3S2/
    c1-25(2,20(38)23(39)28-4-
    3-14(33)27-5-6-56-16(36)9
    -55-8-15(34)35)10-48-54(4
    5,46)51-53(43,44)47-7-13-
    19(50-52(40,41)42)18(37)2
    4(49-13)32-12-31-17-21(26
    )29-11-30-22(17)32/h11-13
    ,18-20,24,37-38H,3-10H2,1
    -2H3,(H,27,33)(H,28,39)(H
    ,34,35)(H,43,44)(H,45,46)
    (H2,26,29,30)(H2,40,41,42
    )/t13-,18-,19-,20+,24-/m1
    /s1;
    GKSSRSUPHZUOQO-ITIYDSSPSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCSC(=O)CSCC(=O)O)O; CC(C)(CO[P@](=O)(
    O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H
    ](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C
    (=O)NCCC(=O)NCCSC(=O)CSCC(=O)O)O; CC(C)(
    CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H
    ]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)
    ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CS
    CC(O)=O; O=C(O)CSCC(=O)SCCNC(=O)CCNC(=O)
    C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2c
    nc1c(ncnc12)N)C(O)C3OP(=O)(O)O; CC(C)(CO
    [P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O
    )[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH]
    (O)C(=O)NCCC(=O)NCCSC(=O)CSCC(O)=O    		 3-thiaglutaryl-CoA;
    (3R,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18,21-dithia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
    38098
    TGD
    CHEMBL4535505    		 1 C6 H12 O5 InChI=1S/C6H12O5/c1-3(8)5
    (10)6(11)4(9)2-7/h4-7,9-1
    1H,2H2,1H3/t4-,5-,6+/m1/s
    1;
    IXDZFGATLNCIOI-PBXRRBTRSA-N    		 CC(=O)[CH](O)[CH](O)[CH](O)CO; CC(=O)C(C
    (C(CO)O)O)O; CC(=O)C(O)C(O)C(CO)O; CC(=O
    )[C@@H](O)[C@@H](O)[C@H](O)CO; CC(=O)[C@
    H]([C@H]([C@@H](CO)O)O)O    		 1-deoxy-D-tagatose
    38099
    TGE
    CHEMBL551052
    ZINC000043025379    		 1 C24 H32 N6 O4 InChI=1S/C24H32N6O4/c1-3-
    11-33-14-10-30-21-15-19(1
    8-4-5-22(32-2)27-16-18)26
    -17-20(21)28-23(24(30)31)
    25-6-7-29-8-12-34-13-9-29
    /h4-5,15-17H,3,6-14H2,1-2
    H3,(H,25,28);
    OFRWMWHKNKWEHT-UHFFFAOYSA-N    		 CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4
    ccc(nc4)OC; O=C2N(c3cc(ncc3N=C2NCCN1CCOC
    C1)c4ccc(OC)nc4)CCOCCC; CCCOCCN1C(=O)C(=
    Nc2cnc(cc12)c3ccc(OC)nc3)NCCN4CCOCC4    		 7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one
    38100
    TGF
    CHEMBL1236268
    DB02067
    ZINC000055398661    		 4 C30 H37 N9 O13 InChI=1S/C30H37N9O13/c31-
    30-37-24-23(26(46)38-30)3
    9(13-40)16(12-33-24)11-32
    -15-3-1-14(2-4-15)25(45)3
    6-19(29(51)52)6-9-21(42)3
    4-17(27(47)48)5-8-20(41)3
    5-18(28(49)50)7-10-22(43)
    44/h1-4,13,16-19,32H,5-12
    H2,(H,34,42)(H,35,41)(H,3
    6,45)(H,43,44)(H,47,48)(H
    ,49,50)(H,51,52)(H4,31,33
    ,37,38,46)/t16-,17-,18-,1
    9-/m0/s1;
    ZLOMJLIQXBKNHU-VJANTYMQSA-N    		 NC1=NC2=C(N(C=O)[CH](CNc3ccc(cc3)C(=O)N[
    CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C
    (O)=O)C(O)=O)C(O)=O)CN2)C(=O)N1; NC1=NC2
    =C(N(C=O)[C@@H](CNc3ccc(cc3)C(=O)N[C@@H]
    (CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)
    C(O)=O)C(O)=O)C(O)=O)CN2)C(=O)N1; O=C(O)
    C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=
    O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)
    C=O)CCC(=O)O; c1cc(ccc1C(=O)NC(CCC(=O)NC
    (CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
    )NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N; c1cc(cc
    c1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C
    @@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@
    H]2CNC3=C(N2C=O)C(=O)NC(=N3)N    		 2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM INO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID;
    TRIGLU-5-FORMYL-TETRAHYDROFOLATE
    38101
    TGG
    ZINC000013451235    		 5 C14 H21 N3 O10 S InChI=1S/C14H21N3O10S/c15
    -6(13(24)25)1-2-9(18)17-7
    (12(23)16-4-11(21)22)5-28
    -8(14(26)27)3-10(19)20/h6
    -8H,1-5,15H2,(H,16,23)(H,
    17,18)(H,19,20)(H,21,22)(
    H,24,25)(H,26,27)/t6-,7-,
    8+/m0/s1;
    PWCIUOASSAHGHI-BIIVOSGPSA-N    		 C(CC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C
    (=O)NCC(=O)O)[C@@H](C(=O)O)N; O=C(O)C(SC
    C(NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)CC(=O
    )O; C(CC(=O)NC(CSC(CC(=O)O)C(=O)O)C(=O)N
    CC(=O)O)C(C(=O)O)N; N[CH](CCC(=O)N[CH](C
    S[CH](CC(O)=O)C(O)=O)C(=O)NCC(O)=O)C(O)=
    O; N[C@@H](CCC(=O)N[C@@H](CS[C@H](CC(O)=
    O)C(O)=O)C(=O)NCC(O)=O)C(O)=O    		 GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE
    38102
    TGH    		 0 C13 H15 N3 O6 InChI=1S/C13H15N3O6/c14-7
    (12(19)20)3-5-4-15-9-6(5)
    1-2-8(10(9)17)16-11(18)13
    (21)22/h1-2,4,7,11,15-18H
    ,3,14H2,(H,19,20)(H,21,22
    )/t7-,11-/m0/s1;
    MBJXCQRMERAPOO-CPCISQLKSA-N    		 NC(C(=O)O)Cc1cnc2c1ccc(c2O)NC(C(=O)O)O;
    N[CH](Cc1c[nH]c2c(O)c(N[CH](O)C(O)=O)ccc
    12)C(O)=O; c1cc(c(c2c1c(c[nH]2)CC(C(=O)O
    )N)O)NC(C(=O)O)O; N[C@@H](Cc1c[nH]c2c(O)
    c(N[C@@H](O)C(O)=O)ccc12)C(O)=O; c1cc(c(
    c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N[C@H](C
    (=O)O)O    		 6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan
    38103
    TGI
    CHEMBL1027
    DB00906
    ZINC000003831531    		 4 C20 H25 N O2 S2 InChI=1S/C20H25NO2S2/c1-1
    4-7-11-24-18(14)17(19-15(
    2)8-12-25-19)6-4-10-21-9-
    3-5-16(13-21)20(22)23/h6-
    8,11-12,16H,3-5,9-10,13H2
    ,1-2H3,(H,22,23)/t16-/m1/
    s1;
    PBJUNZJWGZTSKL-MRXNPFEDSA-N    		 Cc1ccsc1C(=CCCN2CCCC(C2)C(=O)O)c3c(ccs3)
    C; Cc1ccsc1C(=CCCN2CCC[C@H](C2)C(O)=O)c3
    sccc3C; Cc1ccsc1C(=C\CCN1CCCC(C1)C(=O)O)
    \c1sccc1C; Cc1ccsc1C(=CCCN2CCC[CH](C2)C(
    O)=O)c3sccc3C; Cc1ccsc1C(=CCCN2CCC[C@H](
    C2)C(=O)O)c3c(ccs3)C    		 Tiagabine;
    (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid;
    Gabitril
    38104
    TGJ
    CHEMBL4435392    		 3 C6 H12 O5 InChI=1S/C6H12O5/c1-3(8)5
    (10)6(11)4(9)2-7/h4-7,9-1
    1H,2H2,1H3/t4-,5-,6+/m0/s
    1;
    IXDZFGATLNCIOI-HCWXCVPCSA-N    		 CC(=O)[CH](O)[CH](O)[CH](O)CO; CC(C(C(O)
    C(CO)O)O)=O; CC(=O)C(C(C(CO)O)O)O; CC(=O
    )[C@H](O)[C@H](O)[C@@H](O)CO; CC(=O)[C@@
    H]([C@@H]([C@H](CO)O)O)O    		 1-deoxy-L-tagatose
    38105
    TGK    		 23 C6 H12 O5 InChI=1S/C6H12O5/c1-6(10)
    5(9)4(8)3(7)2-11-6/h3-5,7
    -10H,2H2,1H3/t3-,4+,5+,6-
    /m0/s1;
    YLWWLYACYNLGLT-KCDKBNATSA-N    		 C[C]1(O)OC[CH](O)[CH](O)[CH]1O; C1(C(C(C
    (CO1)O)O)O)(C)O; CC1(C(C(C(CO1)O)O)O)O;
    C[C@]1([C@@H]([C@@H]([C@H](CO1)O)O)O)O;
    C[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O    		 1-deoxy-beta-L-tagatopyranose;
    1-deoxy-beta-L-tagatose;
    1-deoxy-L-tagatose;
    1-deoxy-tagatose
    38106
    TGL
    ZINC000085545202    		 3 C57 H110 O6 InChI=1S/C57H110O6/c1-4-7
    -10-13-16-19-22-25-28-31-
    34-37-40-43-46-49-55(58)6
    1-52-54(63-57(60)51-48-45
    -42-39-36-33-30-27-24-21-
    18-15-12-9-6-3)53-62-56(5
    9)50-47-44-41-38-35-32-29
    -26-23-20-17-14-11-8-5-2/
    h54H,4-53H2,1-3H3;
    DCXXMTOCNZCJGO-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC
    CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC; O=C(
    OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC
    CCCCCCCCCCCC)CCCCCCCCCCCCCCCCC    		 TRISTEAROYLGLYCEROL;
    TRIACYLGLYCEROL
    38107
    TGM    		 2 C21 H15 N3 O5 InChI=1S/C21H15N3O5/c25-1
    6-6-2-1-5-14(16)18-19(24-
    10-4-3-7-17(24)23-18)22-1
    2-8-9-13(20(26)27)15(11-1
    2)21(28)29/h1-11,22,25H,(
    H,26,27)(H,28,29);
    CJHAGMMEDJVYBA-UHFFFAOYSA-N    		 c1(nc3ccccn3c1Nc2ccc(c(c2)C(O)=O)C(O)=O)
    c4c(cccc4)O; c1ccc(c(c1)c2c(n3ccccc3n2)N
    c4ccc(c(c4)C(=O)O)C(=O)O)O; OC(=O)c1ccc(
    Nc2n3ccccc3nc2c4ccccc4O)cc1C(O)=O    		 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
    38108
    TGN
    DB08618
    ZINC000016051773    		 2 C16 H22 N O5 P InChI=1S/C16H22NO5P/c1-17
    -11-8-9-13(17)15(16(18)21
    -2)14(10-11)22-23(19,20)1
    2-6-4-3-5-7-12/h3-7,11,13
    -15H,8-10H2,1-2H3,(H,19,2
    0)/t11-,13+,14-,15+/m0/s1;
    WJTKWTJTOSZMKO-PMOUVXMZSA-N    		 CN1C2CCC1C(C(C2)OP(=O)(c3ccccc3)O)C(=O)O
    C; C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O
    [P@](=O)(c3ccccc3)O)C(=O)OC; COC(=O)[CH]
    1[CH](C[CH]2CC[CH]1N2C)O[P](O)(=O)c3cccc
    c3; O=C(OC)C3C1N(C)C(CC1)CC3OP(=O)(O)c2c
    cccc2; COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H
    ]1N2C)O[P@](O)(=O)c3ccccc3    		 3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
    38109
    TGP    		 0 C10 H14 N5 O6 P S InChI=1S/C10H14N5O6PS/c11
    -10-13-8-7(9(17)14-10)12-
    3-15(8)6-1-4(16)5(21-6)2-
    23-22(18,19)20/h3-6,16H,1
    -2H2,(H2,18,19,20)(H3,11,
    13,14,17)/t4-,5+,6+/m0/s1;
    AHOKECUHLPOZOT-KVQBGUIXSA-N    		 c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CSP(=O)(
    O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)
    [CH]3C[CH](O)[CH](CS[P](O)(O)=O)O3; c1nc
    2c(n1C3CC(C(O3)CSP(=O)(O)O)O)N=C(NC2=O)N
    ; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C
    @@H](CS[P](O)(O)=O)O3; O=P(O)(O)SCC3OC(n
    2cnc1c2N=C(N)NC1=O)CC3O    		 5'-THIO-2'-DEOXY-GUANOSINE PHOSPHONIC ACID
    38110
    TGQ
    ZINC000013508844    		 2 C20 H25 N7 O6 InChI=1S/C20H25N7O6/c1-27
    (9-11-8-22-16-15(23-11)18
    (31)26-20(21)25-16)12-4-2
    -10(3-5-12)17(30)24-13(19
    (32)33)6-7-14(28)29/h2-5,
    11,13,23H,6-9H2,1H3,(H,24
    ,30)(H,28,29)(H,32,33)(H4
    ,21,22,25,26,31)/t11-,13+
    /m1/s1;
    ZHKQAQKGVKBJPP-YPMHNXCESA-N    		 CN(C[CH]1CNC2=C(N1)C(=O)N=C(N)N2)c3ccc(c
    c3)C(=O)N[CH](CCC(O)=O)C(O)=O; CN(C[C@H]
    1CNC2=C(N1)C(=O)N=C(N)N2)c3ccc(cc3)C(=O)
    N[C@@H](CCC(O)=O)C(O)=O; CN(C[C@H]1CNC2=
    C(N1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H
    ](CCC(=O)O)C(=O)O; CN(CC1CNC2=C(N1)C(=O)
    N=C(N2)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O
    )O    		 (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
    38111
    TGR
    ZINC000584905769    		 4 C6 H12 O5 InChI=1S/C6H12O5/c1-3(7)6
    (10)5(9)4(8)2-11-6/h3-5,7
    -10H,2H2,1H3/t3-,4+,5-,6-
    /m0/s1;
    ZCEUQVBSRPIKHS-FSIIMWSLSA-N    		 C[C@H](O)[C@]1(O)OC[C@@H](O)[C@@H]1O; C[
    C@@H]([C@]1([C@H]([C@@H](CO1)O)O)O)O; C[
    CH](O)[C]1(O)OC[CH](O)[CH]1O; CC(C1(OCC(
    C1O)O)O)O; CC(C1(C(C(CO1)O)O)O)O    		 1-deoxy-alpha-D-xylo-hex-3-ulofuranose;
    1-deoxy 3-keto D-galactitol(Furanose form);
    1-deoxy-alpha-D-xylo-hex-3-ulose;
    1-deoxy-D-xylo-hex-3-ulose;
    1-deoxy-xylo-hex-3-ulose
    38112
    TGS    		 10 C6 H12 O5 InChI=1S/C6H12O5/c1-3(8)5
    (10)6(11)4(9)2-7/h3-4,6-9
    ,11H,2H2,1H3/t3-,4+,6-/m0
    /s1;
    UCLAXLMTPFNPGE-RPDRRWSUSA-N    		 C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O; CC(O
    )C(C(C(CO)O)O)=O; C[CH](O)C(=O)[CH](O)[C
    H](O)CO; C[C@H](O)C(=O)[C@@H](O)[C@H](O)
    CO; CC(C(=O)C(C(CO)O)O)O    		 1-deoxy-D-xylo-hex-3-ulose;
    1-deoxy 3-keto-D-galactitol
    38113
    TGT
    DB04788
    ZINC000012504512    		 4 C11 H17 N2 O11 P S InChI=1S/C11H17N2O11PS/c1
    -3(14)22-5-4(12)6(24-25(1
    9,20)21)10(9(16)17)2-26-1
    1(18,8(13)15)7(5)23-10/h4
    -7,18H,2,12H2,1H3,(H2,13,
    15)(H,16,17)(H2,19,20,21)
    /t4-,5+,6+,7+,10+,11+/m0/
    s1;
    UVAAUIDYGIWLMB-HGNFPZBQSA-N    		 CC(=O)O[CH]1[CH](N)[CH](O[P](O)(O)=O)[C]
    2(CS[C](O)([CH]1O2)C(N)=O)C(O)=O; CC(=O)
    O[C@@H]1[C@H](N)[C@@H](O[P](O)(O)=O)[C@]
    2(CS[C@](O)([C@@H]1O2)C(N)=O)C(O)=O; CC(
    =O)O[C@@H]1[C@@H]([C@H]([C@]2(CS[C@]([C@
    @H]1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N; O=
    C(N)C1(O)SCC2(OC1C(OC(=O)C)C(N)C2OP(=O)(
    O)O)C(=O)O; CC(=O)OC1C(C(C2(CSC(C1O2)(C(
    =O)N)O)C(=O)O)OP(=O)(O)O)N    		 TAGETITOXIN;
    (1R,4R,5R,6R,7S,8R)-6-ACETOXY-7-AMINO-4-CARBAMOYL-4-HYDROXY-8-(PHOSPHONOOXY)-9-OXA-3-THIABICYCLO[3.3.1]NONANE-1-CARBOXY LIC ACID
    38114
    TGU    		 0 C18 H26 O19 InChI=1S/C18H26O19/c19-1-
    2(20)10(13(26)27)36-17(6(
    1)24)35-9-4(22)7(25)18(37
    -12(9)15(30)31)34-8-3(21)
    5(23)16(32)33-11(8)14(28)
    29/h1-12,16-25,32H,(H,26,
    27)(H,28,29)(H,30,31)/t1-
    ,2+,3+,4+,5+,6+,7+,8+,9+,
    10-,11-,12-,16-,17+,18-/m
    0/s1;
    LCLHHZYHLXDRQG-ZZHDOSMQSA-N    		 O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H
    ](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3
    O)C(O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)
    [C@H]1O)C(O)=O; C1(C(C(OC(C1O)OC2C(C(C(O
    C2C(=O)O)OC3C(C(C(OC3C(=O)O)O)O)O)O)O)C(
    =O)O)O)O; O[CH]1O[CH]([CH](O[CH]2O[CH]([
    CH](O[CH]3O[CH]([CH](O)[CH](O)[CH]3O)C(O
    )=O)[CH](O)[CH]2O)C(O)=O)[CH](O)[CH]1O)C
    (O)=O; [C@@H]1([C@H]([C@H](O[C@H]([C@@H]
    1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(
    =O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3
    C(=O)O)O)O)O)O)O)C(=O)O)O)O; C1(C(C(C(C(
    C(=O)O)O1)OC2C(C(C(C(C(O)=O)O2)OC3C(C(C(
    C(C(O)=O)O3)O)O)O)O)O)O)O)O    		 TRIGALACTURONIC ACID
    38115
    TGV    		 2 C20 H14 N4 O4 InChI=1S/C20H14N4O4/c25-1
    9(26)14-7-6-13(10-15(14)2
    0(27)28)22-18-17(12-4-2-1
    -3-5-12)23-16-11-21-8-9-2
    4(16)18/h1-11,22H,(H,25,2
    6)(H,27,28);
    DQITWSHGMZMNEP-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=
    O)O)C(=O)O; OC(=O)c1ccc(Nc2n3ccncc3nc2c4
    ccccc4)cc1C(O)=O; c2(c(n1ccncc1n2)Nc3cc(
    C(O)=O)c(C(O)=O)cc3)c4ccccc4    		 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid
    38116
    TGW
    ZINC000013566713    		 2 C14 H11 Cl2 N3 O InChI=1S/C14H11Cl2N3O/c1-
    19-12-10(3-2-6-17-12)14(2
    0)18-13(19)9-5-4-8(15)7-1
    1(9)16/h2-7,13H,1H3,(H,18
    ,20)/t13-/m1/s1;
    REZFMSXTMURZKT-CYBMUJFWSA-N    		 CN1c2c(cccn2)C(=O)NC1c3ccc(cc3Cl)Cl; CN1
    [C@@H](NC(=O)c2cccnc12)c3ccc(Cl)cc3Cl; C
    N1c2c(cccn2)C(=O)N[C@H]1c3ccc(cc3Cl)Cl;
    CN1[CH](NC(=O)c2cccnc12)c3ccc(Cl)cc3Cl    		 (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
    38117
    TGX
    CHEMBL4591406
    ZINC000000058275    		 1 C9 H9 N O S InChI=1S/C9H9NOS/c1-6-2-3
    -7-8(4-6)12-5-9(11)10-7/h
    2-4H,5H2,1H3,(H,10,11);
    ODJQMWDFNLNCTM-UHFFFAOYSA-N    		 O=C1Nc2c(SC1)cc(cc2)C; Cc1ccc2c(c1)SCC(=
    O)N2; Cc1ccc2NC(=O)CSc2c1    		 7-methyl-2H-1,4-benzothiazin-3(4H)-one
    38118
    TGY    		 1 C6 H12 O5 InChI=1S/C6H12O5/c1-6(10)
    5(9)4(8)3(7)2-11-6/h3-5,7
    -10H,2H2,1H3/t3-,4+,5+,6+
    /m1/s1;
    YLWWLYACYNLGLT-VANKVMQKSA-N    		 C[C@]1([C@H]([C@H]([C@@H](CO1)O)O)O)O; C
    [C]1(O)OC[CH](O)[CH](O)[CH]1O; CC1(C(C(C
    (CO1)O)O)O)O; C[C@]1(O)OC[C@@H](O)[C@H](
    O)[C@@H]1O; C1(O)C(O)C(C(O)(C)OC1)O    		 1-deoxy-alpha-D-tagatopyranose;
    1-deoxy-alpha-D-tagatose;
    1-deoxy-D-tagatose;
    1-deoxy-tagatose
    38119
    TGZ
    ZINC000584905765    		 2 C20 H26 F N3 O9 S InChI=1S/C20H26FN3O9S/c21
    -9-3-1-2-8(4-9)10-5-24(23
    -22-10)13-14(27)11(6-25)3
    2-19(16(13)29)34-20-18(31
    )17(30)15(28)12(7-26)33-2
    0/h1-5,11-20,25-31H,6-7H2
    /t11-,12-,13+,14+,15+,16-
    ,17+,18-,19+,20+/m1/s1;
    PZQVUALSHLQTOK-UYIOFKAJSA-N    		 OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](
    O)[C@@H]([C@H]2O)n3cc(nn3)c4cccc(F)c4)[C
    @H](O)[C@@H](O)[C@H]1O; c1cc(cc(c1)F)c2c
    n(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)
    S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)
    O)O)CO)O; OC[CH]1O[CH](S[CH]2O[CH](CO)[C
    H](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)[C
    H](O)[CH](O)[CH]1O; c1cc(cc(c1)F)c2cn(nn
    2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)CO
    )O    		 (2~{S},3~{R},4~{S},5~{R},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
    38120
    TH    		 0 Th InChI=1S/Th/q+4;
    YMURPAJPLBCAQW-UHFFFAOYSA-N    		 [Th+4] THORIUM ION
    38121
    TH0
    ZINC000039247121    		 3 C6 H6 O2 S InChI=1S/C6H6O2S/c7-4-1-2
    -6(9)5(8)3-4/h1-3,7-9H;
    XFTQIEMOLHJTFV-UHFFFAOYSA-N    		 Oc1ccc(S)c(O)c1; c1cc(c(cc1O)O)S 4-MERCAPTOBENZENE-1,3-DIOL
    38122
    TH1
    DB03250
    ZINC000038378861    		 1 C14 H17 N O5 S InChI=1S/C14H17NO5S/c1-6-
    2-3-9-7(4-6)15-14(21-9)13
    -12(19)11(18)10(17)8(5-16
    )20-13/h2-4,8,10-13,16-19
    H,5H2,1H3/t8-,10-,11+,12-
    ,13-/m1/s1;
    WGJFWQVWYRZPEP-KABOQKQYSA-N    		 Cc1ccc2c(c1)nc(s2)C3C(C(C(C(O3)CO)O)O)O;
    Cc1ccc2c(c1)nc(s2)[C@H]3[C@@H]([C@H]([C
    @@H]([C@H](O3)CO)O)O)O; Cc1ccc2sc(nc2c1)
    [C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3
    O; Cc1ccc2sc(nc2c1)[CH]3O[CH](CO)[CH](O)
    [CH](O)[CH]3O; n1c3cc(ccc3sc1C2OC(CO)C(O
    )C(O)C2O)C    		 (1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol;
    2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-BENZOTHIAZOLE;
    2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-BENZOTHIAZOLE
    38123
    TH2
    DB08619
    ZINC000004025723    		 14 C23 H32 O5 InChI=1S/C23H32O5/c1-22-1
    1-9-15(24)13-14(22)3-4-16
    -17-5-6-19(23(17,2)12-10-
    18(16)22)28-21(27)8-7-20(
    25)26/h13,16-19H,3-12H2,1
    -2H3,(H,25,26)/t16-,17-,1
    8-,19-,22-,23-/m0/s1;
    CJQNBXFUHQZFOE-VYAQIDIUSA-N    		 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(
    =O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C; C[C@]1
    2CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@
    @H]1CC[C@@H]2OC(=O)CCC(O)=O; O=C(O)CCC(=
    O)OC2CCC1C4C(CCC12C)C3(C(=CC(=O)CC3)CC4)
    C; CC12CCC3C(C1CCC2OC(=O)CCC(=O)O)CCC4=C
    C(=O)CCC34C; C[C]12CC[CH]3[CH](CCC4=CC(=
    O)CC[C]34C)[CH]1CC[CH]2OC(=O)CCC(O)=O    		 TESTOSTERONE HEMISUCCINATE;
    4-OXO-4-{[(8ALPHA,9BETA,10ALPHA,13ALPHA,14BETA,17ALPHA)-3-OXOANDROST-4-EN-17-YL]OXY}BUTANOIC ACID
    38124
    TH3    		 1 C37 H64 N7 O17 P3 S InChI=1S/C37H64N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-28(46)65-21-
    20-39-27(45)18-19-40-35(4
    9)32(48)37(2,3)23-58-64(5
    5,56)61-63(53,54)57-22-26
    -31(60-62(50,51)52)30(47)
    36(59-26)44-25-43-29-33(3
    8)41-24-42-34(29)44/h16-1
    7,24-26,30-32,36,47-48H,4
    -15,18-23H2,1-3H3,(H,39,4
    5)(H,40,49)(H,53,54)(H,55
    ,56)(H2,38,41,42)(H2,50,5
    1,52)/b17-16+;
    JUPAQFRKPHPXLD-WUKNDPDISA-N    		 O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(
    O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C
    3OP(=O)(O)O)/C=C/CCCCCCCCCCCCC; CCCCCCCC
    CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C
    )COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c
    2ncnc3N)O)OP(=O)(O)O)O; CCCCCCCCCCCCCC=C
    C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[P](O
    )(=O)O[P](O)(=O)OCC1OC(C(O)C1O[P](O)(O)=
    O)n2cnc3c(N)ncnc23; CCCCCCCCCCCCCC=CC(=O
    )SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(
    =O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=
    O)(O)O)O; CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=
    O)CCNC(=O)C(O)C(C)(C)CO[P](O)(=O)O[P](O)
    (=O)OCC1OC(C(O)C1O[P](O)(O)=O)n2cnc3c(N)
    ncnc23    		 TRANS DELTA2 PALMITENOYL-COENZYMEA
    38125
    TH4
    CHEMBL451432
    DB08620
    ZINC000013828082    		 27 C10 H9 Cl N4 S InChI=1S/C10H9ClN4S/c11-9
    -2-1-8(5-13-9)6-15-3-4-16
    -10(15)14-7-12/h1-2,5H,3-
    4,6H2/b14-10-;
    HOKKPVIRMVDYPB-UVTDQMKNSA-N    		 c1cc(ncc1CN2CCSC2=NC#N)Cl; Clc1ncc(cc1)C
    N2C(=N\C#N)\SCC2; c1cc(ncc1CN\2CCS/C2=N\
    C#N)Cl; Clc1ccc(CN2CCSC2=NC#N)cn1    		 {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
    38126
    TH5
    ZINC000002556509    		 0 C6 H11 N O4 InChI=1S/C6H11NO4/c1-3(11
    -4(2)8)5(7)6(9)10/h3,5H,7
    H2,1-2H3,(H,9,10)/t3-,5+/
    m1/s1;
    GOVSRIMJZNIFHS-WUJLRWPWSA-N    		 C[C@H]([C@@H](C(=O)O)N)OC(=O)C; C[CH](OC
    (C)=O)[CH](N)C(O)=O; C[C@@H](OC(C)=O)[C@
    H](N)C(O)=O; O=C(OC(C(N)C(=O)O)C)C; CC(C
    (C(=O)O)N)OC(=O)C    		 O-acetyl-L-threonine
    38127
    TH6
    ZINC000001530328    		 0 C4 H9 N O4 InChI=1S/C4H9NO4/c5-3(4(8
    )9)2(7)1-6/h2-3,6-7H,1,5H
    2,(H,8,9)/t2-,3+/m1/s1;
    JBNUARFQOCGDRK-GBXIJSLDSA-N    		 O=C(O)C(N)C(O)CO; N[CH]([CH](O)CO)C(O)=O
    ; C([C@H]([C@@H](C(=O)O)N)O)O; N[C@@H]([
    C@H](O)CO)C(O)=O; C(C(C(C(=O)O)N)O)O    		 4-HYDROXY-L-THREONINE
    38128
    TH7
    ZINC000058638400    		 1 C6 H6 O3 S InChI=1S/C6H6O3S/c7-4-1-2
    -6(10-9)5(8)3-4/h1-3,7-9H;
    LJXFZIAMAZBGDO-UHFFFAOYSA-N    		 OSc1ccc(O)cc1O; c1cc(c(cc1O)O)SO 2,4-dihydroxybenzenesulfenic acid;
    4-HYDROXYSULFANYLBENZENE-1,3-DIOL
    38129
    TH8
    CHEMBL1236282
    DB08621
    ZINC000000538440    		 4 C12 H15 Cl2 N O5 S InChI=1S/C12H15Cl2NO5S/c1
    -21(19,20)8-4-2-7(3-5-8)1
    0(17)9(6-16)15-12(18)11(1
    3)14/h2-5,9-11,16-17H,6H2
    ,1H3,(H,15,18)/t9-,10-/m1
    /s1;
    OTVAEFIXJLOWRX-NXEZZACHSA-N    		 C[S](=O)(=O)c1ccc(cc1)[CH](O)[CH](CO)NC(
    =O)C(Cl)Cl; ClC(Cl)C(=O)NC(C(O)c1ccc(cc1
    )S(=O)(=O)C)CO; C[S](=O)(=O)c1ccc(cc1)[C
    @@H](O)[C@@H](CO)NC(=O)C(Cl)Cl; CS(=O)(=
    O)c1ccc(cc1)C(C(CO)NC(=O)C(Cl)Cl)O; CS(=
    O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(
    Cl)Cl)O    		 THIAMPHENICOL
    38130
    TH9
    CHEMBL2063255
    ZINC000101516187    		 1 C19 H27 N O5 InChI=1S/C19H27NO5/c1-2-3
    -4-5-12-25-16-10-6-8-15(1
    3-16)9-7-11-20-18(22)14-1
    7(21)19(23)24/h6,8,10,13-
    14,21H,2-5,7,9,11-12H2,1H
    3,(H,20,22)(H,23,24)/b17-
    14-;
    LTXZSLKTHFHDTP-VKAVYKQESA-N    		 CCCCCCOc1cccc(c1)CCCNC(=O)/C=C(/C(=O)O)\
    O; O=C(O)C(\O)=C\C(=O)NCCCc1cc(OCCCCCC)c
    cc1; CCCCCCOc1cccc(c1)CCCNC(=O)C=C(C(=O)
    O)O; CCCCCCOc1cccc(CCCNC(=O)C=C(O)C(O)=O
    )c1; CCCCCCOc1cccc(CCCNC(=O)\C=C(/O)C(O)
    =O)c1    		 (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid;
    BPH-1063
    38131
    THA
    CHEMBL95
    DB00382
    ZINC000019014866    		 15 C13 H14 N2 InChI=1S/C13H14N2/c14-13-
    9-5-1-3-7-11(9)15-12-8-4-
    2-6-10(12)13/h1,3,5,7H,2,
    4,6,8H2,(H2,14,15);
    YLJREFDVOIBQDA-UHFFFAOYSA-N    		 Nc1c2CCCCc2nc3ccccc13; c1ccc2c(c1)c(c3c(
    n2)CCCC3)N; n1c3c(c(c2c1cccc2)N)CCCC3    		 TACRINE
    38132
    THB    		 0 C9 H15 N5 O3 InChI=1/C9H15N5O3/c1-3(15
    )6(16)4-2-11-7-5(12-4)8(1
    7)14-9(10)13-7/h3-4,6,12,
    15-16H,2H2,1H3,(H4,10,11,
    13,14,17)/t3-,4+,6-/m0/s1
    /f/h11,14H,10H2;
    FNKQXYHWGSIFBK-OAVKMHILDB    		 O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C; CC(C(
    C1CNC2=C(N1)C(=O)NC(=N2)N)O)O; C[C@@H]([
    C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O;
    C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N
    C(=N2)N; C[CH](O)[CH](O)[CH]1CNC2=C(N1)C
    (=O)NC(=N2)N    		 TETRAHYDROBIOPTERIN;
    5,6,7,8-TETRAHYDROBIOPTERIN
    38133
    THC
    ZINC000004760162    		 0 C6 H11 N O4 InChI=1S/C6H11NO4/c1-3(8)
    5(6(10)11)7-4(2)9/h3,5,8H
    ,1-2H3,(H,7,9)(H,10,11)/t
    3-,5+/m1/s1;
    PEDXUVCGOLSNLQ-WUJLRWPWSA-N    		 O=C(O)C(NC(=O)C)C(O)C; C[C@H]([C@@H](C(=
    O)O)NC(=O)C)O; CC(C(C(=O)O)NC(=O)C)O; C[
    C@@H](O)[C@H](NC(C)=O)C(O)=O; C[CH](O)[C
    H](NC(C)=O)C(O)=O    		 N-METHYLCARBONYLTHREONINE
    38134
    THD
    ZINC000103558024    		 17 C14 H22 N4 O9 P2 S InChI=1S/C14H22N4O9P2S/c1
    -8-12(3-4-26-29(24,25)27-
    28(21,22)23)30-14(11(20)7
    -19)18(8)6-10-5-16-9(2)17
    -13(10)15/h5,19-20H,3-4,6
    -7H2,1-2H3,(H,24,25)(H2,1
    5,16,17)(H2,21,22,23)/b14
    -11+;
    LXZUEFPJZTWGEL-SDNWHVSQSA-N    		 O=P(O)(O)OP(=O)(O)OCCC=1S\C(=C(\O)CO)N(C
    =1C)Cc2cnc(nc2N)C; Cc1ncc(CN2C(=C(CCO[P]
    (O)(=O)O[P](O)(O)=O)SC2=C(O)CO)C)c(N)n1;
    Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CO)O)CCOP(=
    O)(O)OP(=O)(O)O)C; Cc1ncc(c(n1)N)CN\2C(=
    C(S/C2=C(\CO)/O)CCO[P@@](=O)(O)OP(=O)(O)
    O)C; Cc1ncc(CN\2C(=C(CCO[P@](O)(=O)O[P](
    O)(O)=O)SC\2=C(/O)CO)C)c(N)n1    		 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE;
    ({ALPHA,BETA}-DIHYDROXYETHYL)-THIAMIN DIPHOSPHATE
    38135
    THE    		 1 C4 H7 O5 InChI=1S/C4H8O5/c5-1-2(6)
    3(7)4(8)9/h2-3,5-7H,1H2,(
    H,8,9)/p-1/t2-,3+/m1/s1;
    JPIJQSOTBSSVTP-GBXIJSLDSA-M    		 C(C(C(C(=O)[O-])O)O)O; OC[C@@H](O)[C@H](
    O)C([O-])=O; C([C@H]([C@@H](C(=O)[O-])O)
    O)O; OC[CH](O)[CH](O)C([O-])=O; [O-]C(=O
    )C(O)C(O)CO    		 THREONATE ION
    38136
    THF
    DB02800
    ZINC000012502643    		 9 C20 H23 N7 O7 InChI=1S/C20H23N7O7/c21-2
    0-25-16-15(18(32)26-20)27
    (9-28)12(8-23-16)7-22-11-
    3-1-10(2-4-11)17(31)24-13
    (19(33)34)5-6-14(29)30/h1
    -4,8,12-13,22,28H,5-7,9H2
    ,(H,24,31)(H,29,30)(H,33,
    34)(H3,21,25,26,32)/t12-,
    13-/m0/s1;
    IIEPLRAFVCMHQF-STQMWFEESA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC
    [C@H]2C=NC3=C([N@@]2CO)C(=O)N=C(N3)N; NC
    1=NC(=O)C2=C(N1)N=C[C@H](CNc3ccc(cc3)C(=
    O)N[C@@H](CCC(O)=O)C(O)=O)N2CO; c1cc(ccc
    1C(=O)NC(CCC(=O)O)C(=O)O)NCC2C=NC3=C(N2C
    O)C(=O)N=C(N3)N; O=C(O)C(NC(=O)c1ccc(cc1
    )NCC3C=NC=2NC(=NC(=O)C=2N3CO)N)CCC(=O)O;
    NC1=NC(=O)C2=C(N1)N=C[CH](CNc3ccc(cc3)C
    (=O)N[CH](CCC(O)=O)C(O)=O)N2CO    		 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID
    38137
    THG
    DB02031
    ZINC000004228237    		 45 C19 H23 N7 O6 InChI=1S/C19H23N7O6/c20-1
    9-25-15-14(17(30)26-19)23
    -11(8-22-15)7-21-10-3-1-9
    (2-4-10)16(29)24-12(18(31
    )32)5-6-13(27)28/h1-4,11-
    12,21,23H,5-8H2,(H,24,29)
    (H,27,28)(H,31,32)(H4,20,
    22,25,26,30)/t11-,12-/m0/
    s1;
    MSTNYGQPCMXVAQ-RYUDHWBXSA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC
    [C@H]2CNC3=C(N2)C(=O)NC(=N3)N; NC1=NC2=C
    (N[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C
    (O)=O)CN2)C(=O)N1; c1cc(ccc1C(=O)NC(CCC(
    =O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N;
    O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC=2C(=O)NC
    (=NC=2NC3)N)CCC(=O)O; NC1=NC2=C(N[C@@H](
    CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O
    )CN2)C(=O)N1    		 (6S)-5,6,7,8-TETRAHYDROFOLATE
    38138
    THH
    CHEMBL1231574
    DB11256
    ZINC000002005305    		 24 C20 H25 N7 O6 InChI=1S/C20H25N7O6/c1-27
    -12(9-23-16-15(27)18(31)2
    6-20(21)25-16)8-22-11-4-2
    -10(3-5-11)17(30)24-13(19
    (32)33)6-7-14(28)29/h2-5,
    12-13,22H,6-9H2,1H3,(H,24
    ,30)(H,28,29)(H,32,33)(H4
    ,21,23,25,26,31)/t12-,13-
    /m0/s1;
    ZNOVTXRBGFNYRX-STQMWFEESA-N    		 CN1[CH](CNc2ccc(cc2)C(=O)N[CH](CCC(O)=O)
    C(O)=O)CNc3nc(N)nc(O)c13; CN1[C@@H](CNc2
    ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc
    3nc(N)nc(O)c13; O=C(O)C(NC(=O)c1ccc(cc1)
    NCC2N(c3c(nc(nc3NC2)N)O)C)CCC(=O)O; CN1c
    2c(nc(nc2O)N)NCC1CNc3ccc(cc3)C(=O)NC(CCC
    (=O)O)C(=O)O; CN1c2c(nc(nc2O)N)NC[C@@H]1
    CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O    		 N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID;
    5-METHYLTETRAHYDROFOLATE
    38139
    THI
    CHEMBL310070
    ZINC000002020188    		 0 C16 H13 N O S InChI=1S/C16H13NOS/c18-15
    -13-8-4-5-9-14(13)16(17(1
    5)10-11-19-16)12-6-2-1-3-
    7-12/h1-9H,10-11H2/t16-/m
    0/s1;
    CTGFADZNCCTVMP-INIZCTEOSA-N    		 O=C1N2CCS[C]2(c3ccccc3)c4ccccc14; c1ccc(
    cc1)C23c4ccccc4C(=O)N2CCS3; c1ccc(cc1)[C
    @]23c4ccccc4C(=O)N2CCS3; O=C1N2CCS[C@@]2
    (c3ccccc3)c4ccccc14; O=C2c1c(cccc1)C3(SC
    CN23)c4ccccc4    		 THIAZOLO-3-PHENYLISOINDOL-1-ONE
    38140
    THJ    		 27 O3 S2 InChI=1S/H2O3S2/c1-5(2,3)
    4/h(H2,1,2,3,4)/p-2;
    DHCDFWKWKRSZHF-UHFFFAOYSA-L    		 [O-][S]([S-])(=O)=O; [O-]S(=O)(=O)[S-];
    [O-]S([S-])(=O)=O    		 THIOSULFATE
    38141
    THK
    DB08622    		 6 C23 H27 Cl F N O S2 InChI=1S/C23H27ClFNOS2/c2
    4-20-6-2-18(3-7-20)22(27)
    11-14-26(15-12-22)13-1-10
    -23(28-16-17-29-23)19-4-8
    -21(25)9-5-19/h2-9,27H,1,
    10-17H2;
    KVDKNVPAAQKHKD-UHFFFAOYSA-N    		 c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc
    4)Cl)O)F; Clc1ccc(cc1)C2(O)CCN(CC2)CCCC3
    (SCCS3)c4ccc(F)cc4; OC1(CCN(CCCC2(SCCS2)
    c3ccc(F)cc3)CC1)c4ccc(Cl)cc4    		 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL
    38142
    THL    		 0 C19 H23 N7 O6 InChI=1S/C19H23N7O6/c20-1
    9-25-15-14(17(30)26-19)23
    -11(8-22-15)7-21-10-3-1-9
    (2-4-10)16(29)24-12(18(31
    )32)5-6-13(27)28/h1-4,11-
    12,21,23H,5-8H2,(H,24,29)
    (H,27,28)(H,31,32)(H4,20,
    22,25,26,30)/t11-,12-/m0/
    s1;
    MSTNYGQPCMXVAQ-RYUDHWBXSA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC
    [C@H]2CNC3=C(N2)C(=O)N=C(N3)N; NC1=NC(=O
    )C2=C(NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](C
    CC(O)=O)C(O)=O)N2)N1; O=C(O)C(NC(=O)c1cc
    c(cc1)NCC3NC2=C(NC(=NC2=O)N)NC3)CCC(=O)O
    ; c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2C
    NC3=C(N2)C(=O)N=C(N3)N; NC1=NC(=O)C2=C(N
    C[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(
    O)=O)N2)N1    		 N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID;
    TETRAHYDROFOLIC ACID;
    TETRAHYDROFOLATE;
    5,6,7,8-TETRAHYDROFOLIC ACID
    38143
    THM
    CHEMBL52609
    DB04485
    ZINC000000025672    		 61 C10 H14 N2 O5 InChI=1S/C10H14N2O5/c1-5-
    3-12(10(16)11-9(5)15)8-2-
    6(14)7(4-13)17-8/h3,6-8,1
    3-14H,2,4H2,1H3,(H,11,15,
    16)/t6-,7+,8+/m0/s1;
    IQFYYKKMVGJFEH-XLPZGREQSA-N    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O; CC1=CN
    ([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O; O=C
    1NC(=O)N(C=C1C)C2OC(C(O)C2)CO; CC1=CN([C
    @H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O; CC
    1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C
    O)O    		 THYMIDINE;
    DEOXYTHYMIDINE;
    2'-DEOXYTHYMIDINE
    38144
    THN
    DB08623
    ZINC000006293333    		 1 C14 H14 N2 O5 S2 InChI=1S/C14H14N2O5S2/c1-
    7-6-23-12(16-10(7)13(18)1
    9)11(14(20)21)15-9(17)5-8
    -3-2-4-22-8/h2-4,10-11H,1
    ,5-6H2,(H,15,17)(H,18,19)
    (H,20,21)/t10-,11-/m0/s1;
    VBBNCGUNWSPHOY-QWRGUYRKSA-N    		 C=C1CSC(=NC1C(=O)O)C(C(=O)O)NC(=O)Cc2ccc
    s2; OC(=O)[CH](NC(=O)Cc1sccc1)C2=N[CH](C
    (O)=O)C(=C)CS2; OC(=O)[C@@H](NC(=O)Cc1sc
    cc1)C2=N[C@H](C(O)=O)C(=C)CS2; O=C(O)C(N
    C(=O)Cc1sccc1)C2=NC(C(=C)\CS2)C(=O)O; C=
    C1CSC(=NC1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2
    cccs2    		 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID;
    HYDROLYZED CEPHALOTHIN
    38145
    THO
    DB01724
    ZINC000002436826    		 0 C4 H11 N O2 InChI=1S/C4H11NO2/c1-3(7)
    4(5)2-6/h3-4,6-7H,2,5H2,1
    H3/t3-,4-/m1/s1;
    MUVQIIBPDFTEKM-QWWZWVQMSA-N    		 CC(C(CO)N)O; C[CH](O)[CH](N)CO; OCC(N)C(
    O)C; C[C@H]([C@@H](CO)N)O; C[C@@H](O)[C@
    H](N)CO    		 REDUCED THREONINE
    38146
    THP
    CHEMBL1235491
    DB04205
    ZINC000011422512    		 223 C10 H16 N2 O11 P2 InChI=1S/C10H16N2O11P2/c1
    -5-3-12(10(14)11-9(5)13)8
    -2-6(23-25(18,19)20)7(22-
    8)4-21-24(15,16)17/h3,6-8
    H,2,4H2,1H3,(H,11,13,14)(
    H2,15,16,17)(H2,18,19,20)
    /t6-,7+,8+/m0/s1;
    CSNCBOPUCJOHLS-XLPZGREQSA-N    		 CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO[P
    ](O)(O)=O)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C
    1C)C2OC(C(OP(=O)(O)O)C2)COP(=O)(O)O; CC1
    =CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(
    =O)(O)O; CC1=CN([C@H]2C[C@H](O[P](O)(O)=
    O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O; CC
    1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C
    OP(=O)(O)O)OP(=O)(O)O    		 THYMIDINE-3',5'-DIPHOSPHATE
    38147
    THQ    		 0 C6 H10 N O4 P S InChI=1/C6H10NO4PS/c1-5-6
    (13-4-7-5)2-3-11-12(8,9)1
    0/h4H,2-3H2,1H3,(H2,8,9,1
    0)/f/h8-9H;
    OCYMERZCMYJQQO-DEPUQRHOCA    		 Cc1c(scn1)CCOP(=O)(O)O; O=P(OCCc1scnc1C)
    (O)O; Cc1ncsc1CCO[P](O)(O)=O    		 PHOSPHORIC ACID MONO-[2-(4-METHYL-THIAZOL-5-YL)-ETHYL] ESTER
    38148
    THR
    CHEMBL291747
    DB00156
    ZINC000000895103    		 161 C4 H9 N O3 InChI=1S/C4H9NO3/c1-2(6)3
    (5)4(7)8/h2-3,6H,5H2,1H3,
    (H,7,8)/t2-,3+/m1/s1;
    AYFVYJQAPQTCCC-GBXIJSLDSA-N    		 O=C(O)C(N)C(O)C; CC(C(C(=O)O)N)O; C[CH](
    O)[CH](N)C(O)=O; C[C@@H](O)[C@H](N)C(O)=
    O; C[C@H]([C@@H](C(=O)O)N)O    		 THREONINE
    38149
    THS
    DB02980    		 1 C10 H15 N2 O6 P S2 InChI=1S/C10H15N2O6PS2/c1
    -5-3-12(10(15)11-9(5)14)8
    -2-6(13)7(18-8)4-17-19(16
    ,20)21/h3,6-8,13H,2,4H2,1
    H3,(H,11,14,15)(H2,16,20,
    21)/t6-,7+,8+/m0/s1;
    KMPXQZWMYQHTNT-XLPZGREQSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )COP(=O)(S)S)O; CC1=CN([C@H]2C[C@H](O)[C
    @@H](CO[P](S)(S)=O)O2)C(=O)NC1=O; CC1=CN
    ([CH]2C[CH](O)[CH](CO[P](S)(S)=O)O2)C(=O
    )NC1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(
    =O)(S)S)O; O=P(S)(S)OCC2OC(N1C(=O)NC(=O)
    C(=C1)C)CC2O    		 THYMIDINE-5'-(DITHIO)PHOSPHATE
    38150
    THT
    DB02990
    ZINC000014880555    		 4 C20 H39 N O2 S InChI=1S/C20H39NO2S/c1-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-20(23)24-18-17-21
    -19(2)22/h3-18H2,1-2H3,(H
    ,21,22);
    GDVZALUOXPTSHD-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C; O=C(SCCN
    C(=O)C)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC
    (=O)SCCNC(C)=O    		 TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER;
    C16-FATTY-ACYL-SUBSTRATE-MIMIC
    38151
    THU
    DB03562    		 11 C9 H14 N2 O5 InChI=1S/C9H14N2O5/c12-4-
    6-5(13)3-8(16-6)11-2-1-7(
    14)10-9(11)15/h5-6,8,12-1
    3H,1-4H2,(H,10,14,15)/t5-
    ,6+,8?/m0/s1;
    XMJRLEURHMTTRX-FWHJPCMOSA-N    		 C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O;
    OC[C@H]1O[C@H](C[C@@H]1O)N2CCC(=O)NC2=O
    ; OC[CH]1O[CH](C[CH]1O)N2CCC(=O)NC2=O; C
    1CN(C(=O)NC1=O)C2CC(C(O2)CO)O; O=C1N(CCC
    (=O)N1)C2OC(C(O)C2)CO    		 TETRAHYDRODEOXYURIDINE
    38152
    THV
    ZINC000058660856    		 5 C16 H26 N4 O8 P2 S InChI=1S/C16H26N4O8P2S/c1
    -9(2)14(21)16-20(8-12-7-1
    8-11(4)19-15(12)17)10(3)1
    3(31-16)5-6-27-30(25,26)2
    8-29(22,23)24/h7,9,21H,5-
    6,8H2,1-4H3,(H,25,26)(H2,
    17,18,19)(H2,22,23,24);
    VBABUKBBNKNHAI-UHFFFAOYSA-N    		 CC(C)[C-](O)c1sc(CCO[P](O)(=O)O[P](O)(O)
    =O)c(C)[n+]1Cc2cnc(C)nc2N; CC(C)[C-](O)c
    1sc(CCO[P@](O)(=O)O[P](O)(O)=O)c(C)[n+]1
    Cc2cnc(C)nc2N; O=P(O)(O)OP(=O)(O)OCCc1sc
    ([C-](O)C(C)C)[n+](c1C)Cc2cnc(nc2N)C; Cc
    1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CC
    OP(=O)(O)OP(=O)(O)O; Cc1c(sc([n+]1Cc2cnc
    (nc2N)C)[C-](C(C)C)O)CCO[P@@](=O)(O)OP(=
    O)(O)O    		 C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE
    38153
    THW
    ZINC000058660859    		 1 C19 H24 N4 O8 P2 S InChI=1S/C19H24N4O8P2S/c1
    -12-16(8-9-30-33(28,29)31
    -32(25,26)27)34-19(17(24)
    14-6-4-3-5-7-14)23(12)11-
    15-10-21-13(2)22-18(15)20
    /h3-7,10,24H,8-9,11H2,1-2
    H3,(H,28,29)(H2,20,21,22)
    (H2,25,26,27);
    ZOLUTNQCUQSPSG-UHFFFAOYSA-N    		 Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc3
    )O)CCO[P@](=O)(O)OP(=O)(O)O; Cc1ncc(C[n+
    ]2c(C)c(CCO[P@@](O)(=O)O[P](O)(O)=O)sc2[
    C-](O)c3ccccc3)c(N)n1; Cc1ncc(C[n+]2c(C)
    c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C-](O)c3
    ccccc3)c(N)n1; O=P(O)(O)OP(=O)(O)OCCc2sc
    ([C-](O)c1ccccc1)[n+](c2C)Cc3cnc(nc3N)C;
    Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc
    3)O)CCOP(=O)(O)OP(=O)(O)O    		 C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE
    38154
    THX    		 0 C50 H53 N10 O12 P InChI=1S/C50H53N10O12P/c1
    -26-24-60(50(67)56-45(26)
    62)44-23-42(61)43(72-44)2
    5-71-73(68,69)70-19-5-3-2
    -4-15-52-46(63)36-20-30-2
    7-12-16-57(39(27)9-6-33(3
    0)53-36)47(64)37-21-31-28
    -13-17-58(40(28)10-7-34(3
    1)54-37)48(65)38-22-32-29
    -14-18-59(49(51)66)41(29)
    11-8-35(32)55-38/h6-11,20
    -22,24,42-44,53-55,61H,2-
    5,12-19,23,25H2,1H3,(H2,5
    1,66)(H,52,63)(H,68,69)(H
    ,56,62,67)/t42-,43+,44+/m
    0/s1;
    LIOBYMQDEBYUBC-HHWNUHTHSA-N    		 O=C(N)N%11c1c(c2cc(nc2cc1)C(=O)N%10c3c(c
    4cc(nc4cc3)C(=O)N9c5c(c6cc(nc6cc5)C(=O)N
    CCCCCCOP(=O)(O)OCC8OC(N7C(=O)NC(=O)C(=C7
    )C)CC8O)CC9)CC%10)CC%11; CC1=CN(C(=O)NC1
    =O)C2CC(C(O2)COP(=O)(O)OCCCCCCNC(=O)c3cc
    4c([nH]3)ccc5c4CCN5C(=O)c6cc7c([nH]6)ccc
    8c7CCN8C(=O)c9cc1c([nH]9)ccc2c1CCN2C(=O)
    N)O; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@
    H](O2)CO[P@@](=O)(O)OCCCCCCNC(=O)c3cc4c(
    [nH]3)ccc5c4CCN5C(=O)c6cc7c([nH]6)ccc8c7
    CCN8C(=O)c9cc1c([nH]9)ccc2c1CCN2C(=O)N)O
    ; CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O
    CCCCCCNC(=O)c3[nH]c4ccc5N(CCc5c4c3)C(=O)
    c6[nH]c7ccc8N(CCc8c7c6)C(=O)c9[nH]c%10cc
    c%11N(CCc%11c%10c9)C(N)=O)O2)C(=O)NC1=O;
    CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@](O)(
    =O)OCCCCCCNC(=O)c3[nH]c4ccc5N(CCc5c4c3)C
    (=O)c6[nH]c7ccc8N(CCc8c7c6)C(=O)c9[nH]c%
    10ccc%11N(CCc%11c%10c9)C(N)=O)O2)C(=O)NC
    1=O    		 PHOSPHONIC ACID 6-({6-[6-(6-CARBAMOYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDOCENE-2-CA RBONYL]-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONL}-AMINO)-HEXYL ESTER 5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER;
    CDPI3
    38155
    THY
    ZINC000058638595    		 1 C17 H28 N4 O8 P2 S InChI=1S/C17H28N4O8P2S/c1
    -5-10(2)15(22)17-21(9-13-
    8-19-12(4)20-16(13)18)11(
    3)14(32-17)6-7-28-31(26,2
    7)29-30(23,24)25/h8,10,22
    H,5-7,9H2,1-4H3,(H,26,27)
    (H2,18,19,20)(H2,23,24,25
    )/t10-/m0/s1;
    MZVVOGXJVCPANP-JTQLQIEISA-N    		 CC[CH](C)[C-](O)c1sc(CCO[P](O)(=O)O[P](O
    )(O)=O)c(C)[n+]1Cc2cnc(C)nc2N; CCC(C)[C-
    ](c1[n+](c(c(s1)CCOP(=O)(O)OP(=O)(O)O)C)
    Cc2cnc(nc2N)C)O; O=P(O)(O)OP(=O)(O)OCCc1
    sc([C-](O)C(C)CC)[n+](c1C)Cc2cnc(nc2N)C;
    CC[C@H](C)[C-](O)c1sc(CCO[P](O)(=O)O[P]
    (O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N; CC[C@H]
    (C)[C-](c1[n+](c(c(s1)CCO[P@](=O)(O)OP(=
    O)(O)O)C)Cc2cnc(nc2N)C)O    		 C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE
    38156
    THZ
    CHEMBL2089125
    DB08624
    ZINC000053683253    		 0 C13 H17 N5 O S InChI=1S/C13H17N5OS/c14-8
    (4-3-7-17-13(15)16)11(19)
    12-18-9-5-1-2-6-10(9)20-1
    2/h1-2,5-6,8H,3-4,7,14H2,
    (H4,15,16,17)/t8-/m0/s1;
    MAJHCCQPIDXPAN-QMMMGPOBSA-N    		 N[C@@H](CCCNC(N)=N)C(=O)c1sc2ccccc2n1; c
    1ccc2c(c1)nc(s2)C(=O)C(CCCNC(=N)N)N; [H]
    /N=C(/N)\NCCC[C@@H](C(=O)c1nc2ccccc2s1)N
    ; O=C(c1nc2ccccc2s1)C(N)CCCNC(=[N@H])N;
    N[CH](CCCNC(N)=N)C(=O)c1sc2ccccc2n1    		 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine
    38157
    TI0
    ZINC000005167486    		 2 C14 H18 N2 O8 InChI=1S/C14H18N2O8/c1-7(
    18)15-11-13(20)12(19)10(6
    -17)24-14(11)23-9-4-2-8(3
    -5-9)16(21)22/h2-5,10-14,
    17,19-20H,6H2,1H3,(H,15,1
    8)/t10-,11-,12+,13-,14+/m
    1/s1;
    OMRLTNCLYHKQCK-RGDJUOJXSA-N    		 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1
    Oc2ccc(cc2)[N+](=O)[O-])CO)O)O; CC(=O)N[
    CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(c
    c2)[N+]([O-])=O; CC(=O)NC1C(C(C(OC1Oc2cc
    c(cc2)[N+](=O)[O-])CO)O)O; [O-][N+](=O)c
    1ccc(cc1)OC1OC(CO)C(O)C(O)C1NC(C)=O; CC(
    =O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O
    [C@@H]1Oc2ccc(cc2)[N+]([O-])=O    		 4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
    38158
    TI1
    DB02597
    ZINC000006352218    		 2 C19 H28 N2 O4 S InChI=1S/C19H28N2O4S/c1-3
    -4-6-11-16(26)18(23)21-15
    (12-14-9-7-5-8-10-14)17(2
    2)20-13(2)19(24)25/h5,7-1
    0,13,15-16,26H,3-4,6,11-1
    2H2,1-2H3,(H,20,22)(H,21,
    23)(H,24,25)/t13-,15-,16-
    /m0/s1;
    GOIYKVXXGCPHQU-BPUTZDHNSA-N    		 CCCCC[CH](S)C(=O)N[CH](Cc1ccccc1)C(=O)N[
    CH](C)C(O)=O; O=C(O)C(NC(=O)C(NC(=O)C(S)
    CCCCC)Cc1ccccc1)C; CCCCCC(C(=O)NC(Cc1ccc
    cc1)C(=O)NC(C)C(=O)O)S; CCCCC[C@@H](C(=O
    )N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O
    )S; CCCCC[C@H](S)C(=O)N[C@@H](Cc1ccccc1)
    C(=O)N[C@@H](C)C(O)=O    		 [2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALA
    38159
    TI2
    CHEMBL277238
    DB03949
    ZINC000012504054    		 1 C27 H28 N2 O5 S InChI=1S/C27H28N2O5S/c30-
    21-13-11-20(12-14-21)16-2
    3(27(33)34)29-25(31)22(15
    -18-7-3-1-4-8-18)28-26(32
    )24(35)17-19-9-5-2-6-10-1
    9/h1-14,22-24,30,35H,15-1
    7H2,(H,28,32)(H,29,31)(H,
    33,34)/t22-,23-,24-/m0/s1;
    GIVBBFGMRNXKPE-HJOGWXRNSA-N    		 O=C(NC(C(=O)NC(C(=O)O)Cc1ccc(O)cc1)Cc2cc
    ccc2)C(S)Cc3ccccc3; c1ccc(cc1)CC(C(=O)NC
    (Cc2ccc(cc2)O)C(=O)O)NC(=O)C(Cc3ccccc3)S
    ; OC(=O)[CH](Cc1ccc(O)cc1)NC(=O)[CH](Cc2
    ccccc2)NC(=O)[CH](S)Cc3ccccc3; OC(=O)[C@
    H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc2ccccc2)NC
    (=O)[C@@H](S)Cc3ccccc3; c1ccc(cc1)C[C@@H
    ](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O
    )[C@H](Cc3ccccc3)S    		 (2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR
    38160
    TI3
    CHEMBL419499
    DB02669
    ZINC000006580513    		 1 C22 H24 N2 O4 S InChI=1S/C22H24N2O4S/c25-
    20(14-23-21(26)19(29)13-1
    5-7-3-1-4-8-15)24-17(11-1
    2-18(24)22(27)28)16-9-5-2
    -6-10-16/h1-10,17-19,29H,
    11-14H2,(H,23,26)(H,27,28
    )/t17-,18+,19+/m1/s1;
    ZWDQTNWLXALTOV-QYZOEREBSA-N    		 O=C(N2C(C(=O)O)CCC2c1ccccc1)CNC(=O)C(S)C
    c3ccccc3; c1ccc(cc1)C[C@@H](C(=O)NCC(=O)
    N2[C@H](CC[C@H]2C(=O)O)c3ccccc3)S; OC(=O
    )[CH]1CC[CH](N1C(=O)CNC(=O)[CH](S)Cc2ccc
    cc2)c3ccccc3; OC(=O)[C@@H]1CC[C@@H](N1C(
    =O)CNC(=O)[C@@H](S)Cc2ccccc2)c3ccccc3; c
    1ccc(cc1)CC(C(=O)NCC(=O)N2C(CCC2C(=O)O)c
    3ccccc3)S    		 [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-GLY-(5-PHENYLPROLINE);
    RB106
    38161
    TI4
    ZINC000263620559    		 7 C14 H18 N2 InChI=1S/C14H18N2/c1-2-12
    (7-15-3-1)14-13-5-10-4-11
    (6-13)9-16(14)8-10/h1-3,7
    ,10-11,13-14H,4-6,8-9H2/t
    10-,11+,13-,14-/m0/s1;
    INDYXBQOPZTSTJ-XCCSTKFXSA-N    		 C1[CH]2CC3C[CH]1CN(C2)[CH]3c4cccnc4; C1[
    C@@H]2CC3C[C@H]1CN(C2)[C@H]3c4cccnc4; c1
    cc(cnc1)C2N3CC4CC2CC(C3)C4; c1cc(cnc1)C2
    C3CC4CC(C3)CN2C4; c1cc(cnc1)[C@H]2C3C[C@
    H]4C[C@@H](C3)CN2C4    		 (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane
    38162
    TI5
    ZINC000039053455    		 2 C5 H7 N3 InChI=1S/C5H7N3/c1-4-2-7-
    3-8-5(4)6/h2-3H,1H3,(H2,6
    ,7,8);
    XSCYITPLDKUZJB-UHFFFAOYSA-N    		 Cc1cncnc1N 5-methylpyrimidin-4-amine
    38163
    TI6    		 1 C8 H17 N O3 S InChI=1S/C8H17NO3S/c1-7-4
    -3-5-9(8(7)6-10)13(2,11)1
    2/h7-8,10H,3-6H2,1-2H3/t7
    -,8+/m0/s1;
    JACFLUHHMHHDAJ-JGVFFNPUSA-N    		 C[C@H]1CCCN([C@@H]1CO)S(=O)(=O)C; CC1CCC
    N(C1CO)S(=O)(C)=O; CC1CCCN(C1CO)S(=O)(=O
    )C; C[CH]1CCCN([CH]1CO)[S](C)(=O)=O; C[C
    @H]1CCCN([C@@H]1CO)[S](C)(=O)=O    		 [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol
    38164
    TI7
    CHEMBL4162514
    ZINC000002574056    		 4 C14 H12 O2 InChI=1S/C14H12O2/c1-10-5
    -2-3-8-13(10)11-6-4-7-12(
    9-11)14(15)16/h2-9H,1H3,(
    H,15,16);
    IAZJDWZUCUHVPQ-UHFFFAOYSA-N    		 Cc1ccccc1c2cccc(c2)C(=O)O; Cc1ccccc1c2cc
    cc(c2)C(O)=O    		 3-(2-methylphenyl)benzoic acid
    38165
    TI8
    CHEMBL4583945
    ZINC000584905767    		 2 C22 H25 Cl N6 O5 InChI=1S/C22H25ClN6O5/c1-
    2-15(30)33-9-3-4-14-17(31
    )18(32)21(34-14)29-20-16(
    19(24)26-11-27-20)28-22(2
    9)25-10-12-5-7-13(23)8-6-
    12/h2,5-8,11,14,17-18,21,
    31-32H,1,3-4,9-10H2,(H,25
    ,28)(H2,24,26,27)/t14-,17
    -,18-,21-/m1/s1;
    XOSUZIPWVSJZRF-HAXDFEGKSA-N    		 C=CC(=O)OCCCC1C(C(C(O1)n2c3c(c(ncn3)N)nc
    2NCc4ccc(cc4)Cl)O)O; Nc1ncnc2n([C@@H]3O[
    C@H](CCCOC(=O)C=C)[C@@H](O)[C@H]3O)c(NCc
    4ccc(Cl)cc4)nc12; C=CC(=O)OCCC[C@@H]1[C@
    H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCc
    4ccc(cc4)Cl)O)O; Nc1ncnc2n([CH]3O[CH](CC
    COC(=O)C=C)[CH](O)[CH]3O)c(NCc4ccc(Cl)cc
    4)nc12    		 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate
    38166
    TI9    		 13 C11 H12 N2 InChI=1S/C11H12N2/c1-3-10
    (9-12-7-1)5-6-11-4-2-8-13
    -11/h1,3,7,9,11,13H,2,4,8
    H2/t11-/m0/s1;
    YOOCTKCKTOXZCT-NSHDSACASA-N    		 C1CCNC1C#Cc2cnccc2; c1cc(cnc1)C#C[C@@H]2
    CCCN2; C1CN[CH](C1)C#Cc2cccnc2; C1CN[C@@
    H](C1)C#Cc2cccnc2; c1cc(cnc1)C#CC2CCCN2    		 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine
    38167
    TIA
    CHEMBL1236300
    ZINC000006490945    		 1 C9 H12 N2 O4 S InChI=1S/C9H12N2O4S/c1-3-
    5(12)6(13)7(15-3)9-11-4(2
    -16-9)8(10)14/h2-3,5-7,12
    -13H,1H3,(H2,10,14)/t3-,5
    -,6-,7-/m1/s1;
    FQKJMVYTLPKRQR-SHUUEZRQSA-N    		 CC1C(C(C(O1)c2nc(cs2)C(=O)N)O)O; C[C@@H]
    1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O
    )O; C[CH]1O[CH]([CH](O)[CH]1O)c2scc(n2)C
    (N)=O; C[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2
    scc(n2)C(N)=O; O=C(c1nc(sc1)C2OC(C(O)C2O
    )C)N    		 2-(1,5-DIDEOXYRIBOSE)-4-AMIDO-THIAZOLE
    38168
    TIB    		 0 C16 H20 Cl N3 S InChI=1/C16H20ClN3S/c1-10
    (2)4-5-19-9-12-6-13(17)7-
    14-15(12)20(8-11(19)3)16(
    21)18-14/h4,6-7,11H,5,8-9
    H2,1-3H3,(H,18,21)/t11-/m
    0/s1/f/h18H;
    RCSLUNOLLUVOOG-FPCLSXBCDT    		 S=C2N3c1c(cc(Cl)cc1N2)CN(C(C3)C)C\C=C(/C
    )C; C[CH]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=C(C)
    C)c23; CC1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(
    C)C; C[C@H]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=C(
    C)C)c23; C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)C[
    N@]1CC=C(C)C    		 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE
    38169
    TIC
    CHEMBL833
    DB00208
    ZINC000019594599    		 1 C14 H14 Cl N S InChI=1S/C14H14ClNS/c15-1
    3-4-2-1-3-11(13)9-16-7-5-
    14-12(10-16)6-8-17-14/h1-
    4,6,8H,5,7,9-10H2;
    PHWBOXQYWZNQIN-UHFFFAOYSA-N    		 Clc1ccccc1CN3CCc2sccc2C3; c1ccc(c(c1)C[N
    @]2CCc3c(ccs3)C2)Cl; Clc1ccccc1CN2CCc3sc
    cc3C2; c1ccc(c(c1)CN2CCc3c(ccs3)C2)Cl    		 ticlopidine;
    5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
    38170
    TID
    CHEMBL454681
    ZINC000000106364    		 1 C9 H7 N3 O2 S InChI=1S/C9H7N3O2S/c10-9-
    12-11-7(15-9)5-1-3-6(4-2-
    5)8(13)14/h1-4H,(H2,10,12
    )(H,13,14);
    LQHNMNCRCCSJQW-UHFFFAOYSA-N    		 Nc1sc(nn1)c2ccc(cc2)C(O)=O; c1cc(ccc1c2n
    nc(s2)N)C(=O)O; O=C(O)c2ccc(c1nnc(s1)N)c
    c2    		 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid
    38171
    TIE
    ZINC000033273801    		 2 C26 H28 N6 O S InChI=1S/C26H28N6OS/c1-18
    -5-9-21(10-6-18)32-16-23-
    24(30-32)28-17-29-25(23)3
    1-13-3-4-20(15-31)26(33)2
    7-14-19-7-11-22(34-2)12-8
    -19/h5-12,16-17,20H,3-4,1
    3-15H2,1-2H3,(H,27,33)/t2
    0-/m1/s1;
    VWUOWUZLQDJSCV-HXUWFJFHSA-N    		 CSc1ccc(CNC(=O)[CH]2CCCN(C2)c3ncnc4nn(cc
    34)c5ccc(C)cc5)cc1; CSc1ccc(CNC(=O)[C@@H
    ]2CCCN(C2)c3ncnc4nn(cc34)c5ccc(C)cc5)cc1
    ; CSc1ccc(cc1)CNC(=O)C1CCCN(C1)c1ncnc2nn
    (cc12)c1ccc(C)cc1; Cc1ccc(cc1)n2cc3c(n2)
    ncnc3N4CCCC(C4)C(=O)NCc5ccc(cc5)SC; Cc1c
    cc(cc1)n2cc3c(n2)ncnc3N4CCC[C@H](C4)C(=O
    )NCc5ccc(cc5)SC    		 (3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide
    38172
    TIF
    CHEMBL1809234
    ZINC000072179565    		 2 C26 H35 N5 O4 S InChI=1S/C26H35N5O4S/c1-1
    8(2)15-22(30-36(34,35)17-
    20-7-4-3-5-8-20)26(33)31-
    14-6-9-23(31)25(32)29-16-
    19-10-12-21(13-11-19)24(2
    7)28/h3-5,7-8,10-13,18,22
    -23,30H,6,9,14-17H2,1-2H3
    ,(H3,27,28)(H,29,32)/t22-
    ,23+/m1/s1;
    DQTHQWDHVZBQHX-PKTZIBPZSA-N    		 CC(C)C[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2
    CCC[CH]2C(=O)NCc3ccc(cc3)C(N)=N; O=C(NCc
    1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NS(=O)(=O
    )Cc2ccccc2)CC(C)C)CCC3; CC(C)CC(C(=O)N1C
    CCC1C(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc
    3ccccc3; [H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H
    ]2CCCN2C(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc3c
    cccc3)\N; CC(C)C[C@@H](N[S](=O)(=O)Cc1cc
    ccc1)C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(
    N)=N    		 N-(benzylsulfonyl)-D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
    38173
    TIG
    ZINC000058638474    		 0 C13 H17 N3 O2 InChI=1S/C13H17N3O2/c14-5
    -6-15-12(13(17)18)7-9-8-1
    6-11-4-2-1-3-10(9)11/h1-4
    ,8,12,15-16H,5-7,14H2,(H,
    17,18)/t12-/m0/s1;
    UBMBKENWHLNSDC-LBPRGKRZSA-N    		 O=C(O)C(NCCN)Cc2c1ccccc1nc2; NCCN[CH](Cc
    1c[nH]c2ccccc12)C(O)=O; c1ccc2c(c1)c(c[n
    H]2)C[C@@H](C(=O)O)NCCN; c1ccc2c(c1)c(c[
    nH]2)CC(C(=O)O)NCCN; NCCN[C@@H](Cc1c[nH]
    c2ccccc12)C(O)=O    		 N-(2-aminoethyl)-L-tryptophan
    38174
    TIH
    CHEMBL1236302
    DB03673
    ZINC000004141711    		 3 C7 H9 N O2 S InChI=1S/C7H9NO2S/c8-6(7(
    9)10)4-5-2-1-3-11-5/h1-3,
    6H,4,8H2,(H,9,10)/t6-/m0/
    s1;
    WTOFYLAWDLQMBZ-LURJTMIESA-N    		 N[C@@H](Cc1sccc1)C(O)=O; c1cc(sc1)C[C@@H
    ](C(=O)O)N; N[CH](Cc1sccc1)C(O)=O; c1cc(
    sc1)CC(C(=O)O)N; O=C(O)C(N)Cc1sccc1    		 BETA(2-THIENYL)ALANINE
    38175
    TII
    ZINC000230471838    		 4 C16 H25 N3 O InChI=1S/C16H25N3O/c1-13(
    2)20-15-9-14(10-17-11-15)
    19-8-6-16(12-19)5-4-7-18(
    16)3/h9-11,13H,4-8,12H2,1
    -3H3/t16-/m1/s1;
    KVSRTRCOWRKRQB-MRXNPFEDSA-N    		 CC(C)Oc1cncc(c1)N2CC[C@]3(CCCN3C)C2; CN1
    CCCC12CN(CC2)c3cc(OC(C)C)cnc3; CC(C)Oc1c
    c(cnc1)N2CCC3(C2)CCCN3C; CC(C)Oc1cncc(c1
    )N2CC[C]3(CCCN3C)C2; CC(C)Oc1cc(cnc1)N2C
    C[C@@]3(C2)CCCN3C    		 (5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane
    38176
    TIJ    		 1 C24 H17 N O4 InChI=1S/C24H17NO4/c26-16
    -10-20(27)24-21(28)12-22(
    29-23(24)11-16)18-14-25(1
    3-15-6-2-1-3-7-15)19-9-5-
    4-8-17(18)19/h1-12,14,26-
    27H,13H2;
    BMIWEBKOGMVKTC-UHFFFAOYSA-N    		 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cn(Cc4ccccc4)
    c5ccccc35; c1ccc(cc1)Cn2cc(c3c2cccc3)C4=
    CC(=O)c5c(cc(cc5O4)O)O    		 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one
    38177
    TIK    		 3 C10 H10 O4 InChI=1S/C10H10O4/c1-13-9
    (11)7-5-3-4-6-8(7)10(12)1
    4-2/h3-6H,1-2H3;
    NIQCNGHVCWTJSM-UHFFFAOYSA-N    		 COC(=O)c1ccccc1C(=O)OC dimethyl benzene-1,2-dicarboxylate;
    Dimethyl phthalate
    38178
    TIL    		 2 C16 H13 Cr N O4 InChI=1S/C16H15NO4.Cr/c18
    -14-4-2-1-3-12(14)10-17-1
    3-7-5-11(9-15(13)19)6-8-1
    6(20)21;/h1-5,7,9-10,18-1
    9H,6,8H2,(H,20,21);/q;+3/
    p-2/b17-10+;;
    PQEURDOLYHRQIK-LZMXEPDESA-L    		 c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(
    =O)O; OC(=O)CCc1ccc2N|3=Cc4ccccc4O[Cr+]|
    3Oc2c1    		 [2-[5-CARBOXYETHYL-2-PHENOLATO(NITRILOMETHYLIDYNE)][PHENOLATO]]CHROMIUM(III)
    38179
    TIM
    CHEMBL499
    DB00373
    ZINC000000002176    		 3 C13 H24 N4 O3 S InChI=1S/C13H24N4O3S/c1-1
    3(2,3)14-8-10(18)9-20-12-
    11(15-21-16-12)17-4-6-19-
    7-5-17/h10,14,18H,4-9H2,1
    -3H3/t10-/m0/s1;
    BLJRIMJGRPQVNF-JTQLQIEISA-N    		 CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)O;
    CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2; OC(
    COc1nsnc1N2CCOCC2)CNC(C)(C)C; CC(C)(C)NC
    [CH](O)COc1nsnc1N2CCOCC2; CC(C)(C)NCC(CO
    c1c(nsn1)N2CCOCC2)O    		 (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;
    Timolol maleate
    38180
    TIN
    CHEMBL29982
    ZINC000003973581    		 2 C32 H46 N2 O3 S InChI=1S/C32H46N2O3S/c1-4
    -5-19-34(20-17-25-12-7-6-
    8-13-25)23-26-15-16-28(29
    (22-26)27-14-10-9-11-24(2
    7)2)31(35)33-30(32(36)37)
    18-21-38-3/h9-11,14-16,22
    ,25,30H,4-8,12-13,17-21,2
    3H2,1-3H3,(H,33,35)(H,36,
    37)/t30-/m0/s1;
    GAQHYZNOMLXSEA-PMERELPUSA-N    		 CCCCN(CCC1CCCCC1)Cc2ccc(c(c2)c3ccccc3C)C
    (=O)NC(CCSC)C(=O)O; CCCC[N@@](CCC1CCCCC1
    )Cc2ccc(c(c2)c3ccccc3C)C(=O)N[C@@H](CCSC
    )C(=O)O; CCCCN(CCC1CCCCC1)Cc2ccc(C(=O)N[
    CH](CCSC)C(O)=O)c(c2)c3ccccc3C; CCCCN(CC
    C1CCCCC1)Cc2ccc(C(=O)N[C@@H](CCSC)C(O)=O
    )c(c2)c3ccccc3C; O=C(O)C(NC(=O)c2ccc(cc2
    c1ccccc1C)CN(CCC3CCCCC3)CCCC)CCSC    		 2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID
    38181
    TIO
    CHEMBL298827
    DB08626
    ZINC000003872336    		 3 C12 H15 N O3 S InChI=1S/C12H15NO3S/c14-1
    1(15)7-13-12(16)10(8-17)6
    -9-4-2-1-3-5-9/h1-5,10,17
    H,6-8H2,(H,13,16)(H,14,15
    )/t10-/m1/s1;
    LJJKNPQAGWVLDQ-SNVBAGLBSA-N    		 c1ccc(cc1)C[C@H](CS)C(=O)NCC(=O)O; OC(=O
    )CNC(=O)[C@@H](CS)Cc1ccccc1; O=C(O)CNC(=
    O)C(CS)Cc1ccccc1; OC(=O)CNC(=O)[CH](CS)C
    c1ccccc1; c1ccc(cc1)CC(CS)C(=O)NCC(=O)O    		 (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE;
    THIORPHAN
    38182
    TIQ
    CHEMBL398435
    DB08816
    ZINC000028957444    		 4 C23 H28 F2 N6 O4 S InChI=1S/C23H28F2N6O4S/c1
    -2-7-36-23-27-21(26-15-9-
    12(15)11-3-4-13(24)14(25)
    8-11)18-22(28-23)31(30-29
    -18)16-10-17(35-6-5-32)20
    (34)19(16)33/h3-4,8,12,15
    -17,19-20,32-34H,2,5-7,9-
    10H2,1H3,(H,26,27,28)/t12
    -,15+,16+,17-,19-,20+/m0/
    s1;
    OEKWJQXRCDYSHL-FNOIDJSQSA-N    		 CCCSc1nc(N[C@@H]2C[C@H]2c3ccc(F)c(F)c3)c
    4nnn([C@@H]5C[C@H](OCCO)[C@@H](O)[C@H]5O
    )c4n1; CCCSc1nc(c2c(n1)n(nn2)C3CC(C(C3O)
    O)OCCO)NC4CC4c5ccc(c(c5)F)F; CCCSc1nc(c2
    c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)
    O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F; CC
    CSc1nc(N[CH]2C[CH]2c3ccc(F)c(F)c3)c4nnn(
    [CH]5C[CH](OCCO)[CH](O)[CH]5O)c4n1    		 Ticagrelor
    38183
    TIR
    ZINC000103558110    		 6 C22 H29 N O6 InChI=1S/C22H29NO6/c1-11(
    6-7-15(24)18-17(26)10-23-
    21(18)27)8-12(2)19-14(4)2
    0-16(25)9-13(3)22(5,28-19
    )29-20/h6-9,12,14,16,19-2
    0,24-25H,10H2,1-5H3,(H,23
    ,27)/b7-6+,11-8+,18-15-/t
    12-,14-,16+,19-,20+,22+/m
    1/s1;
    ADEAEUKXVJOXIM-YNKBRHJSSA-N    		 C[CH](C=C(C)C=CC(O)=C1C(=O)CNC1=O)[CH]2O
    [C]3(C)O[CH]([CH]2C)[CH](O)C=C3C; CC1C2C
    (C=C(C(O2)(OC1C(C)C=C(C)C=CC(=C3C(=O)CNC
    3=O)O)C)C)O; C[C@H](\C=C(C)\C=C\C(O)=C1/
    C(=O)CNC1=O)[C@H]2O[C@@]3(C)O[C@@H]([C@@
    H]2C)[C@@H](O)C=C3C; C[C@H]1[C@H]2[C@H](
    C=C([C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=
    C\C(=C\3/C(=O)CNC3=O)\O)C)C)O    		 TIRANDAMYCIN E
    38184
    TIS
    ZINC000058638475    		 0 C5 H11 N O5 InChI=1S/C5H11NO5/c1-5(9,
    10)11-2-3(6)4(7)8/h3,9-10
    H,2,6H2,1H3,(H,7,8)/t3-/m
    0/s1;
    DALCJGCDZOPHKZ-VKHMYHEASA-N    		 CC(O)(O)OCC(C(=O)O)N; O=C(O)C(N)COC(O)(O
    )C; CC(O)(O)OC[C@H](N)C(O)=O; CC(O)(O)OC
    [CH](N)C(O)=O; CC(O)(O)OC[C@@H](C(=O)O)N    		 O-(1,1-dihydroxyethyl)-L-serine
    38185
    TIT
    CHEMBL112598
    ZINC000003925707    		 2 C32 H45 Br N6 O7 InChI=1S/C32H45BrN6O7/c1-
    18(2)14-24(29(34)42)37-30
    (43)20(5)36-27(41)15-26(4
    0)25(17-46-16-21-9-11-22(
    33)12-10-21)38-32(45)28(1
    9(3)4)39-31(44)23-8-6-7-1
    3-35-23/h6-13,18-20,24-26
    ,28,40H,14-17H2,1-5H3,(H2
    ,34,42)(H,36,41)(H,37,43)
    (H,38,45)(H,39,44)/t20-,2
    4-,25-,26-,28-/m0/s1;
    QXHNYZQKWOKULQ-QPGFMSSHSA-N    		 O=C(NC(C(=O)NC(C(O)CC(=O)NC(C(=O)NC(C(=O
    )N)CC(C)C)C)COCc1ccc(Br)cc1)C(C)C)c2nccc
    c2; CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@
    H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](
    NC(=O)c2ccccn2)C(C)C)C(N)=O; CC(C)CC(C(=
    O)N)NC(=O)C(C)NC(=O)CC(C(COCc1ccc(cc1)Br
    )NC(=O)C(C(C)C)NC(=O)c2ccccn2)O; CC(C)C[
    CH](NC(=O)[CH](C)NC(=O)C[CH](O)[CH](COCc
    1ccc(Br)cc1)NC(=O)[CH](NC(=O)c2ccccn2)C(
    C)C)C(N)=O; CC(C)C[C@@H](C(=O)N)NC(=O)[C
    @H](C)NC(=O)C[C@@H]([C@H](COCc1ccc(cc1)B
    r)NC(=O)[C@H](C(C)C)NC(=O)c2ccccn2)O    		 N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE
    38186
    TIU
    ZINC000004582770    		 8 C3 H6 N4 O3 InChI=1S/C3H6N4O3/c4-1(8)
    6-3(10)7-2(5)9/h(H6,4,5,6
    ,7,8,9,10);
    WNVQBUHCOYRLPA-UHFFFAOYSA-N    		 NC(=O)NC(=O)NC(N)=O; NC(NC(=O)NC(N)=O)=O
    ; C(=O)(N)NC(=O)NC(=O)N    		 tricarbonodiimidic diamide
    38187
    TIV
    CHEMBL2103882
    DB12200
    ZINC000100016063    		 4 C23 H19 N3 O2 InChI=1S/C23H19N3O2/c27-2
    2-19(16-11-24-18-9-2-1-7-
    14(16)18)20(23(28)25-22)1
    7-12-26-10-4-6-13-5-3-8-1
    5(17)21(13)26/h1-3,5,7-9,
    11-12,19-20,24H,4,6,10H2,
    (H,25,27,28)/t19-,20-/m0/
    s1;
    UCEQXRCJXIVODC-PMACEKPBSA-N    		 c1ccc2c(c1)c(c[nH]2)C3C(C(=O)NC3=O)c4cn5
    c6c4cccc6CCC5; c1ccc2c(c1)c(c[nH]2)[C@H]
    3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5; O
    =C1NC(=O)[C@H]([C@@H]1c2c[nH]c3ccccc23)c
    4cn5CCCc6cccc4c56; O=C1NC(=O)[CH]([CH]1c
    2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56    		 (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione;
    Tivantinib
    38188
    TIW
    ZINC000033273802    		 2 C26 H28 N6 O S InChI=1S/C26H28N6OS/c1-18
    -5-9-21(10-6-18)32-16-23-
    24(30-32)28-17-29-25(23)3
    1-13-3-4-20(15-31)26(33)2
    7-14-19-7-11-22(34-2)12-8
    -19/h5-12,16-17,20H,3-4,1
    3-15H2,1-2H3,(H,27,33)/t2
    0-/m0/s1;
    VWUOWUZLQDJSCV-FQEVSTJZSA-N    		 CSc1ccc(CNC(=O)[CH]2CCCN(C2)c3ncnc4nn(cc
    34)c5ccc(C)cc5)cc1; Cc1ccc(cc1)n2cc3c(n2
    )ncnc3N4CCC[C@@H](C4)C(=O)NCc5ccc(cc5)SC
    ; CSc1ccc(cc1)CNC(=O)C1CCCN(C1)c1ncnc2nn
    (cc12)c1ccc(C)cc1; Cc1ccc(cc1)n2cc3c(n2)
    ncnc3N4CCCC(C4)C(=O)NCc5ccc(cc5)SC; CSc1
    ccc(CNC(=O)[C@H]2CCCN(C2)c3ncnc4nn(cc34)
    c5ccc(C)cc5)cc1    		 (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide
    38189
    TIX    		 0 C20 H26 O7 InChI=1S/C20H26O7/c1-8-4-
    12(21)16(24)18(3)10(8)5-1
    3-19-7-26-20(25,17(18)19)
    15(23)9(2)11(19)6-14(22)2
    7-13/h8,10-11,13,15-17,23
    -25H,2,4-7H2,1,3H3/t8-,10
    +,11+,13-,15-,16-,17-,18-
    ,19-,20+/m1/s1;
    DOVPXPXYKBQEAK-BJTBSANGSA-N    		 CC1CC(=O)C(C2(C1CC3C45C2C(C(C(=C)C4CC(=O
    )O3)O)(OC5)O)C)O; C[C@@H]1CC(=O)[C@H]([C
    @]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@
    H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)C)O; C[
    CH]1CC(=O)[CH](O)[C]2(C)[CH]1C[CH]3OC(=O
    )C[CH]4C(=C)[CH](O)[C]5(O)OC[C]34[CH]25;
    C[C@@H]1CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C
    [C@H]3OC(=O)C[C@H]4C(=C)[C@@H](O)[C@]5(O
    )OC[C@]34[C@@H]25    		 ailanthone
    38190
    TIY
    CHEMBL66953
    ZINC000013132551    		 5 C11 H8 O5 InChI=1S/C11H8O5/c12-6-3-
    1-2-5-4-7(13)10(15)11(16)
    8(5)9(6)14/h1-4,13,15-16H
    ,(H,12,14);
    WDGFFVCWBZVLCE-UHFFFAOYSA-N    		 O=C2c1c(O)c(O)c(O)cc1C=CC=C2O; c1c2c(c(c
    (c1O)O)O)C(=O)C(=CC=C2)O; OC1=CC=Cc2cc(O
    )c(O)c(O)c2C1=O    		 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one;
    Purpurogallin
    38191
    TIZ
    CHEMBL108358
    DB13243
    ZINC000004217560    		 17 C9 H12 N2 O5 S InChI=1S/C9H12N2O5S/c10-8
    (15)3-2-17-9(11-3)7-6(14)
    5(13)4(1-12)16-7/h2,4-7,1
    2-14H,1H2,(H2,10,15)/t4-,
    5-,6-,7-/m1/s1;
    FVRDYQYEVDDKCR-DBRKOABJSA-N    		 NC(=O)c1csc(n1)[CH]2O[CH](CO)[CH](O)[CH]
    2O; c1c(nc(s1)C2C(C(C(O2)CO)O)O)C(=O)N;
    c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)C
    O)O)O)C(=O)N; NC(=O)c1csc(n1)[C@@H]2O[C@
    H](CO)[C@@H](O)[C@H]2O; O=C(c1nc(sc1)C2O
    C(C(O)C2O)CO)N    		 (1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL;
    TIAZOFURIN
    38192
    TJ0
    ZINC000032732014    		 1 C12 H11 F3 N2 O2 InChI=1S/C12H11F3N2O2/c13
    -12(14,15)9-4-2-1-3-8(9)1
    1(19)17-6-5-16-10(18)7-17
    /h1-4H,5-7H2,(H,16,18);
    JQOVYBILMPXMLQ-UHFFFAOYSA-N    		 FC(F)(F)c1ccccc1C(=O)N2CCNC(=O)C2; O=C1C
    N(CCN1)C(=O)c1ccccc1C(F)(F)F; c1ccc(c(c1
    )C(=O)N2CCNC(=O)C2)C(F)(F)F    		 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
    38193
    TJ1
    ZINC000051690507    		 2 C5 H8 N2 O2 InChI=1S/C5H8N2O2/c1-3(2)
    4-6-5(8)9-7-4/h3H,1-2H3,(
    H,6,7,8);
    MSHWTKGAZGNGGH-UHFFFAOYSA-N    		 C1(=O)NC(=NO1)C(C)C; CC(C)C1=NOC(=O)N1 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one
    38194
    TJ2
    CHEMBL4566706
    ZINC000095920980    		 2 C23 H23 Cl2 N3 O4 InChI=1S/C23H23Cl2N3O4/c1
    -23(2,3)27-21(30)20(28(12
    -29)11-13-4-6-14(24)7-5-1
    3)18-16-9-8-15(25)10-17(1
    6)26-19(18)22(31)32/h4-10
    ,12,20,26H,11H2,1-3H3,(H,
    27,30)(H,31,32)/t20-/m0/s
    1;
    ZAOJHZGIRKVCBH-FQEVSTJZSA-N    		 CC(C)(C)NC(=O)[C@H](c1c2ccc(cc2[nH]c1C(=
    O)O)Cl)N(Cc3ccc(cc3)Cl)C=O; CC(C)(C)NC(=
    O)[C@@H](N(Cc1ccc(Cl)cc1)C=O)c2c([nH]c3c
    c(Cl)ccc23)C(O)=O; CC(C)(C)NC(=O)C(c1c2c
    cc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)Cl)C=
    O; CC(C)(C)NC(=O)[CH](N(Cc1ccc(Cl)cc1)C=
    O)c2c([nH]c3cc(Cl)ccc23)C(O)=O; Clc1ccc(
    cc1)CN(C=O)C(c3c2ccc(Cl)cc2nc3C(=O)O)C(=
    O)NC(C)(C)C    		 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid
    38195
    TJ3    		 1 C17 H15 Cl N6 O InChI=1S/C17H15ClN6O/c1-9
    -5-10(2)24(23-9)17-19-8-1
    3(18)16(22-17)20-12-3-4-1
    4-11(6-12)7-15(25)21-14/h
    3-6,8H,7H2,1-2H3,(H,21,25
    )(H,19,20,22);
    UHUDVGHKSUEYOT-UHFFFAOYSA-N    		 Cc1cc(C)n(n1)c2ncc(Cl)c(Nc3ccc4NC(=O)Cc4
    c3)n2; Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3
    )CC(=O)N4)Cl)C    		 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
    38196
    TJ4
    ZINC000026444315    		 4 C7 H8 N2 O3 InChI=1S/C7H8N2O3/c1-3-4(
    2)8-7(12)9-5(3)6(10)11/h1
    -2H3,(H,10,11)(H,8,9,12);
    ZXECTTZQEACQGR-UHFFFAOYSA-N    		 CC1=NC(=O)NC(=C1C)C(O)=O; O=C1NC(=C(C(=N
    1)C)C)C(O)=O; CC1=C(NC(=O)N=C1C)C(=O)O    		 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
    38197
    TJ5    		 3 C18 H17 N O4 InChI=1S/C18H17NO4/c20-17
    (21)16-10-15(11-19-16)23-
    18(22)14-8-6-13(7-9-14)12
    -4-2-1-3-5-12/h1-9,15-16,
    19H,10-11H2,(H,20,21)/t15
    -,16-/m0/s1;
    GCIZCIZLSHSWDS-HOTGVXAUSA-N    		 c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)
    O; OC(=O)[CH]1C[CH](CN1)OC(=O)c2ccc(cc2)
    c3ccccc3; c1ccc(cc1)c2ccc(cc2)C(=O)O[C@H
    ]3C[C@H](NC3)C(=O)O; OC(=O)[C@@H]1C[C@@H
    ](CN1)OC(=O)c2ccc(cc2)c3ccccc3    		 (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
    38198
    TJ7    		 3 C16 H20 N2 O7 S2 InChI=1S/C16H20N2O7S2/c1-
    15(2)10(13(23)24)17-14(27
    -15)16(7-19,25-3)18-11(20
    )9(12(21)22)8-4-5-26-6-8/
    h4-7,9-10,14,17H,1-3H3,(H
    ,18,20)(H,21,22)(H,23,24)
    /t9-,10+,14-,16+/m1/s1;
    DGNYADVSOUQAEQ-LCFNMQHZSA-N    		 CO[C](NC(=O)[CH](C(O)=O)c1cscc1)(C=O)[CH
    ]2N[CH](C(O)=O)C(C)(C)S2; CO[C@@](NC(=O)
    [C@H](C(O)=O)c1cscc1)(C=O)[C@@H]2N[C@@H]
    (C(O)=O)C(C)(C)S2; O=CC(OC)(C1SC(C(N1)C(
    O)=O)(C)C)NC(=O)C(C(O)=O)c2cscc2; CC1(C(
    NC(S1)C(C=O)(NC(=O)C(c2ccsc2)C(=O)O)OC)C
    (=O)O)C; CC1([C@@H](N[C@H](S1)[C@@](C=O)
    (NC(=O)[C@@H](c2ccsc2)C(=O)O)OC)C(=O)O)C    		 (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid;
    temocillin
    38199
    TJ8    		 2 C16 H11 Br N2 O InChI=1S/C16H11BrN2O/c17-
    15-10-14(7-6-13(15)11-20)
    19-9-8-18-16(19)12-4-2-1-
    3-5-12/h1-11H;
    XAZQMNNYMHQXBB-UHFFFAOYSA-N    		 c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O; Brc1
    cc(ccc1C=O)n2ccnc2c3ccccc3    		 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde;
    LvD1009
    38200
    TJ9
    CHEMBL3646788
    ZINC000004245272    		 2 C9 H10 N4 O S2 InChI=1S/C9H10N4OS2/c1-4-
    7(6-3-15-8(10)13-6)16-9(1
    1-4)12-5(2)14/h3H,1-2H3,(
    H2,10,13)(H,11,12,14);
    HJVCYSMRXGHUDT-UHFFFAOYSA-N    		 CC(=O)Nc1sc(c(C)n1)c2csc(N)n2; Cc1c(sc(n
    1)NC(=O)C)c2csc(n2)N    		 ~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide
    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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