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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
    12601
    A1AG8    		 1 C34 H38 O13 InChI=1S/C34H38O13/c1-40-
    20-12-10-19(11-13-20)34-2
    7(18-8-6-5-7-9-18)26(30(3
    8)42-3)29(37)33(34,39)28-
    23(41-2)14-21(15-24(28)47
    -34)45-32-31(43-4)44-17-2
    5(46-32)22(36)16-35/h5-15
    ,22,25-27,29,31-32,35-37,
    39H,16-17H2,1-4H3/t22-,25
    -,26-,27-,29-,31-,32-,33+
    ,34+/m1/s1;
    GVKXFVCXBFGBCD-QKDMMWSPSA-N    		 CO[C@@H]1OC[C@@H](O[C@H]1Oc2cc(OC)c3c(O[
    C@]4([C@@H]([C@H]([C@@H](O)[C@@]34O)C(=O
    )OC)c5ccccc5)c6ccc(OC)cc6)c2)[C@H](O)CO;
    COC1OCC(OC1Oc1cc(OC)c2c(OC3(c4ccc(OC)cc
    4)C(c4ccccc4)C(C(=O)OC)C(O)C23O)c1)C(O)C
    O; COc1ccc(cc1)[C@]23[C@@H]([C@H]([C@H](
    [C@]2(c4c(cc(cc4OC)O[C@H]5[C@@H](OC[C@@H
    ](O5)[C@@H](CO)O)OC)O3)O)O)C(=O)OC)c6ccc
    cc6; COc1ccc(cc1)C23C(C(C(C2(c4c(cc(cc4O
    C)OC5C(OCC(O5)C(CO)O)OC)O3)O)O)C(=O)OC)c
    6ccccc6; CO[CH]1OC[CH](O[CH]1Oc2cc(OC)c3
    c(O[C]4([CH]([CH]([CH](O)[C]34O)C(=O)OC)
    c5ccccc5)c6ccc(OC)cc6)c2)[CH](O)CO    		 silvestrol;
    methyl (1R,2R,3S,3aR,8bS)-6-({(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl}oxy)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxylate
    12602
    A1AGA    		 2 C26 H37 F N4 O9 S InChI=1S/C26H37FN4O9S/c1-
    15(2)10-20(24(34)29-21(25
    (35)41(37,38)39)12-17-8-9
    -28-23(17)33)30-26(36)40-
    14-19-6-7-22(32)31(19)13-
    16-4-3-5-18(27)11-16/h3-5
    ,11,15,17,19-21,25,35H,6-
    10,12-14H2,1-2H3,(H,28,33
    )(H,29,34)(H,30,36)(H,37,
    38,39)/t17-,19-,20-,21-,2
    5-/m0/s1;
    WUKOFKVFVKFOQQ-BEGIFEFTSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC
    (=O)N2Cc3cccc(c3)F; CC(C)C[CH](NC(=O)OC[
    CH]1CCC(=O)N1Cc2cccc(F)c2)C(=O)N[CH](C[C
    H]3CCNC3=O)[CH](O)[S](O)(=O)=O; CC(C)C[C
    @H](NC(=O)OC[C@@H]1CCC(=O)N1Cc2cccc(F)c2
    )C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](O)[
    S](O)(=O)=O; O=C1NCCC1CC(NC(=O)C(CC(C)C)
    NC(=O)OCC1CCC(=O)N1Cc1cc(F)ccc1)C(O)S(=O
    )(=O)O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S
    (=O)(=O)O)NC(=O)OCC2CCC(=O)N2Cc3cccc(c3)
    F    		 (1S,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12603
    A1AGB    		 2 C26 H37 F N4 O9 S InChI=1S/C26H37FN4O9S/c1-
    15(2)10-20(24(34)29-21(25
    (35)41(37,38)39)12-17-8-9
    -28-23(17)33)30-26(36)40-
    14-19-6-7-22(32)31(19)13-
    16-4-3-5-18(27)11-16/h3-5
    ,11,15,17,19-21,25,35H,6-
    10,12-14H2,1-2H3,(H,28,33
    )(H,29,34)(H,30,36)(H,37,
    38,39)/t17-,19-,20-,21-,2
    5+/m0/s1;
    WUKOFKVFVKFOQQ-SCILSMOKSA-N    		 CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1Cc2cccc
    (F)c2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S
    ](O)(=O)=O; CC(C)C[C@H](NC(=O)OC[C@@H]1C
    CC(=O)N1Cc2cccc(F)c2)C(=O)N[C@@H](C[C@@H
    ]3CCNC3=O)[C@H](O)[S](O)(=O)=O; CC(C)C[C
    @@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(
    =O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)N2Cc3cccc
    (c3)F; O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)
    OCC1CCC(=O)N1Cc1cc(F)ccc1)C(O)S(=O)(=O)O
    ; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=
    O)O)NC(=O)OCC2CCC(=O)N2Cc3cccc(c3)F    		 (1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12604
    A1AGD    		 6 C28 H46 O2 InChI=1S/C28H46O2/c1-20(2
    )11-8-12-21(3)13-9-14-22(
    4)15-10-16-23(5)17-18-26-
    19-27(29)24(6)25(7)28(26)
    30/h17,19-22H,8-16,18H2,1
    -7H3/b23-17+;
    ZPVFWTSVFVOTQH-HAVVHWLPSA-N    		 CC1=C(C(=O)C(=CC1=O)CC=C(C)CCCC(C)CCCC(C
    )CCCC(C)C)C; CC(C)CCC[C@@H](C)CCC[C@@H](
    C)CCC/C(C)=C/CC1=CC(=O)C(=C(C)C1=O)C; CC
    1=C(C(=O)C(=CC1=O)C/C=C(\C)/CCCC(C)CCCC(
    C)CCCC(C)C)C; CC(C)CCC[CH](C)CCC[CH](C)C
    CCC(C)=CCC1=CC(=O)C(=C(C)C1=O)C; CC=1C(=
    O)C=C(C\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C(
    =O)C=1C    		 2,3-dimethyl-5-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
    12605
    A1AGE    		 2 C26 H38 N4 O9 S InChI=1S/C26H38N4O9S/c1-1
    6(2)12-20(24(33)28-21(25(
    34)40(36,37)38)13-18-10-1
    1-27-23(18)32)29-26(35)39
    -15-19-8-9-22(31)30(19)14
    -17-6-4-3-5-7-17/h3-7,16,
    18-21,25,34H,8-15H2,1-2H3
    ,(H,27,32)(H,28,33)(H,29,
    35)(H,36,37,38)/t18-,19-,
    20-,21-,25+/m0/s1;
    AUDFKQBBLRSAHE-ROYUMMMZSA-N    		 O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC
    (=O)N1Cc1ccccc1)C(O)S(=O)(=O)O; CC(C)CC(
    C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)
    OCC2CCC(=O)N2Cc3ccccc3; CC(C)C[C@H](NC(=
    O)OC[C@@H]1CCC(=O)N1Cc2ccccc2)C(=O)N[C@@
    H](C[C@@H]3CCNC3=O)[C@H](O)[S](O)(=O)=O;
    CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1
    =O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)
    N2Cc3ccccc3; CC(C)C[CH](NC(=O)OC[CH]1CCC
    (=O)N1Cc2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O
    )[CH](O)[S](O)(=O)=O    		 (1R,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12606
    A1AGF    		 2 C26 H38 N4 O9 S InChI=1S/C26H38N4O9S/c1-1
    6(2)12-20(24(33)28-21(25(
    34)40(36,37)38)13-18-10-1
    1-27-23(18)32)29-26(35)39
    -15-19-8-9-22(31)30(19)14
    -17-6-4-3-5-7-17/h3-7,16,
    18-21,25,34H,8-15H2,1-2H3
    ,(H,27,32)(H,28,33)(H,29,
    35)(H,36,37,38)/t18-,19-,
    20-,21-,25-/m0/s1;
    AUDFKQBBLRSAHE-SQDATOHTSA-N    		 O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC
    (=O)N1Cc1ccccc1)C(O)S(=O)(=O)O; CC(C)CC(
    C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)
    OCC2CCC(=O)N2Cc3ccccc3; CC(C)C[C@@H](C(=
    O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O
    )NC(=O)OC[C@@H]2CCC(=O)N2Cc3ccccc3; CC(C
    )C[CH](NC(=O)OC[CH]1CCC(=O)N1Cc2ccccc2)C
    (=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O
    )=O; CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N
    1Cc2ccccc2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)
    [C@@H](O)[S](O)(=O)=O    		 (1S,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12607
    A1AGG    		 4 C27 H40 N4 O9 S InChI=1S/C27H40N4O9S/c1-1
    7(2)14-21(25(34)29-22(26(
    35)41(37,38)39)15-19-10-1
    2-28-24(19)33)30-27(36)40
    -16-20-8-9-23(32)31(20)13
    -11-18-6-4-3-5-7-18/h3-7,
    17,19-22,26,35H,8-16H2,1-
    2H3,(H,28,33)(H,29,34)(H,
    30,36)(H,37,38,39)/t19-,2
    0-,21-,22-,26-/m0/s1;
    FDODUQVFBIGMCE-KAWFJRQCSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)N
    2CCc3ccccc3; CC(C)CC(C(=O)NC(CC1CCNC1=O)
    C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CCc3cc
    ccc3; CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1C
    Cc2ccccc2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](
    O)[S](O)(=O)=O; O=C1NCCC1CC(NC(=O)C(CC(C
    )C)NC(=O)OCC1CCC(=O)N1CCc1ccccc1)C(O)S(=
    O)(=O)O; CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(
    =O)N1CCc2ccccc2)C(=O)N[C@@H](C[C@@H]3CCN
    C3=O)[C@@H](O)[S](O)(=O)=O    		 (1S,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12608
    A1AGH    		 2 C27 H40 N4 O9 S InChI=1S/C27H40N4O9S/c1-1
    7(2)14-21(25(34)29-22(26(
    35)41(37,38)39)15-19-10-1
    2-28-24(19)33)30-27(36)40
    -16-20-8-9-23(32)31(20)13
    -11-18-6-4-3-5-7-18/h3-7,
    17,19-22,26,35H,8-16H2,1-
    2H3,(H,28,33)(H,29,34)(H,
    30,36)(H,37,38,39)/t19-,2
    0-,21-,22-,26+/m0/s1;
    FDODUQVFBIGMCE-LEUUJVKFSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)N
    2CCc3ccccc3; CC(C)CC(C(=O)NC(CC1CCNC1=O)
    C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CCc3cc
    ccc3; CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)
    N1CCc2ccccc2)C(=O)N[C@@H](C[C@@H]3CCNC3=
    O)[C@H](O)[S](O)(=O)=O; CC(C)C[CH](NC(=O
    )OC[CH]1CCC(=O)N1CCc2ccccc2)C(=O)N[CH](C
    [CH]3CCNC3=O)[CH](O)[S](O)(=O)=O; O=C1NC
    CC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1
    CCc1ccccc1)C(O)S(=O)(=O)O    		 (1R,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12609
    A1AGI    		 3 C26 H37 Cl N4 O9 S InChI=1S/C26H37ClN4O9S/c1
    -15(2)10-20(24(34)29-21(2
    5(35)41(37,38)39)12-17-8-
    9-28-23(17)33)30-26(36)40
    -14-19-6-7-22(32)31(19)13
    -16-4-3-5-18(27)11-16/h3-
    5,11,15,17,19-21,25,35H,6
    -10,12-14H2,1-2H3,(H,28,3
    3)(H,29,34)(H,30,36)(H,37
    ,38,39)/t17-,19-,20-,21-,
    25+/m0/s1;
    JNJYSDKMQGAPIR-SCILSMOKSA-N    		 CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1Cc2cccc
    (Cl)c2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[
    S](O)(=O)=O; CC(C)C[C@H](NC(=O)OC[C@@H]1
    CCC(=O)N1Cc2cccc(Cl)c2)C(=O)N[C@@H](C[C@
    @H]3CCNC3=O)[C@H](O)[S](O)(=O)=O; CC(C)C
    [C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)
    S(=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)N2Cc3cc
    cc(c3)Cl; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O
    )S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2Cc3cccc(c
    3)Cl; O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)O
    CC1CCC(=O)N1Cc1cc(Cl)ccc1)C(O)S(=O)(=O)O    		 (1R,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12610
    A1AGJ    		 3 C26 H37 Cl N4 O9 S InChI=1S/C26H37ClN4O9S/c1
    -15(2)10-20(24(34)29-21(2
    5(35)41(37,38)39)12-17-8-
    9-28-23(17)33)30-26(36)40
    -14-19-6-7-22(32)31(19)13
    -16-4-3-5-18(27)11-16/h3-
    5,11,15,17,19-21,25,35H,6
    -10,12-14H2,1-2H3,(H,28,3
    3)(H,29,34)(H,30,36)(H,37
    ,38,39)/t17-,19-,20-,21-,
    25-/m0/s1;
    JNJYSDKMQGAPIR-BEGIFEFTSA-N    		 CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1Cc2cccc
    (Cl)c2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[
    S](O)(=O)=O; CC(C)C[C@@H](C(=O)N[C@@H](C
    [C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C
    @@H]2CCC(=O)N2Cc3cccc(c3)Cl; CC(C)CC(C(=
    O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC
    2CCC(=O)N2Cc3cccc(c3)Cl; CC(C)C[C@H](NC(
    =O)OC[C@@H]1CCC(=O)N1Cc2cccc(Cl)c2)C(=O)
    N[C@@H](C[C@@H]3CCNC3=O)[C@@H](O)[S](O)(
    =O)=O; O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)
    OCC1CCC(=O)N1Cc1cc(Cl)ccc1)C(O)S(=O)(=O)
    O    		 (1S,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12611
    A1AGK    		 3 C27 H46 N4 O9 S InChI=1S/C27H46N4O9S/c1-1
    7(2)14-21(25(34)29-22(26(
    35)41(37,38)39)15-19-10-1
    2-28-24(19)33)30-27(36)40
    -16-20-8-9-23(32)31(20)13
    -11-18-6-4-3-5-7-18/h17-2
    2,26,35H,3-16H2,1-2H3,(H,
    28,33)(H,29,34)(H,30,36)(
    H,37,38,39)/t19-,20-,21-,
    22-,26+/m0/s1;
    UKTOBRQSOYSYJK-LEUUJVKFSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OCC2CCC(=O)N2CCC3CCCCC3; CC(C)C[
    C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S
    (=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)N2CCC3CC
    CCC3; CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1C
    CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](
    O)[S](O)(=O)=O; CC(C)C[C@H](NC(=O)OC[C@@
    H]1CCC(=O)N1CCC2CCCCC2)C(=O)N[C@@H](C[C@
    @H]3CCNC3=O)[C@H](O)[S](O)(=O)=O; O=C1NC
    CC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1
    CCC1CCCCC1)C(O)S(=O)(=O)O    		 (1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12612
    A1AGL    		 3 C27 H46 N4 O9 S InChI=1S/C27H46N4O9S/c1-1
    7(2)14-21(25(34)29-22(26(
    35)41(37,38)39)15-19-10-1
    2-28-24(19)33)30-27(36)40
    -16-20-8-9-23(32)31(20)13
    -11-18-6-4-3-5-7-18/h17-2
    2,26,35H,3-16H2,1-2H3,(H,
    28,33)(H,29,34)(H,30,36)(
    H,37,38,39)/t19-,20-,21-,
    22-,26-/m0/s1;
    UKTOBRQSOYSYJK-KAWFJRQCSA-N    		 CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CCC2
    CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@
    H](O)[S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CC
    NC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2
    CCC3CCCCC3; CC(C)C[C@@H](C(=O)N[C@@H](C[
    C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@
    @H]2CCC(=O)N2CCC3CCCCC3; CC(C)C[CH](NC(=
    O)OC[CH]1CCC(=O)N1CCC2CCCCC2)C(=O)N[CH](
    C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O; O=C1N
    CCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N
    1CCC1CCCCC1)C(O)S(=O)(=O)O    		 (1S,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12613
    A1AGM    		 4 C27 H44 N4 O9 S InChI=1S/C27H44N4O9S/c1-1
    5(2)9-21(25(34)29-22(26(3
    5)41(37,38)39)12-18-7-8-2
    8-24(18)33)30-27(36)40-14
    -20-5-6-23(32)31(20)13-19
    -11-16-3-4-17(19)10-16/h1
    5-22,26,35H,3-14H2,1-2H3,
    (H,28,33)(H,29,34)(H,30,3
    6)(H,37,38,39)/t16-,17+,1
    8+,19-,20+,21+,22+,26-/m1
    /s1;
    RCEGRHOAYJTPPY-AQOOIRESSA-N    		 CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1C[C@
    H]2C[C@@H]3CC[C@H]2C3)C(=O)N[C@@H](C[C@@
    H]4CCNC4=O)[C@H](O)[S](O)(=O)=O; CC(C)C[
    C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H]
    (O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)N2C[
    C@H]3C[C@@H]4CC[C@H]3C4; O=C1NCCC1CC(NC(
    =O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CC2CC1
    CC2)C(O)S(=O)(=O)O; CC(C)C[CH](NC(=O)OC[
    CH]1CCC(=O)N1C[CH]2C[CH]3CC[CH]2C3)C(=O)
    N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O;
    CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O
    )O)NC(=O)OCC2CCC(=O)N2CC3CC4CCC3C4    		 (1R,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12614
    A1AGN    		 4 C27 H44 N4 O9 S InChI=1S/C27H44N4O9S/c1-1
    5(2)9-21(25(34)29-22(26(3
    5)41(37,38)39)12-18-7-8-2
    8-24(18)33)30-27(36)40-14
    -20-5-6-23(32)31(20)13-19
    -11-16-3-4-17(19)10-16/h1
    5-22,26,35H,3-14H2,1-2H3,
    (H,28,33)(H,29,34)(H,30,3
    6)(H,37,38,39)/t16-,17+,1
    8+,19-,20+,21+,22+,26+/m1
    /s1;
    RCEGRHOAYJTPPY-XTXIHYAPSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC
    (=O)N2C[C@H]3C[C@@H]4CC[C@H]3C4; CC(C)C[
    C@H](NC(=O)OC[C@@H]1CCC(=O)N1C[C@H]2C[C@
    @H]3CC[C@H]2C3)C(=O)N[C@@H](C[C@@H]4CCNC
    4=O)[C@@H](O)[S](O)(=O)=O; O=C1NCCC1CC(N
    C(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CC2C
    C1CC2)C(O)S(=O)(=O)O; CC(C)C[CH](NC(=O)O
    C[CH]1CCC(=O)N1C[CH]2C[CH]3CC[CH]2C3)C(=
    O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=
    O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(
    =O)O)NC(=O)OCC2CCC(=O)N2CC3CC4CCC3C4    		 (1S,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12615
    A1AGO    		 3 C26 H42 F2 N4 O9 S InChI=1S/C26H42F2N4O9S/c1
    -15(2)11-19(23(35)30-20(2
    4(36)42(38,39)40)12-17-7-
    10-29-22(17)34)31-25(37)4
    1-14-18-3-4-21(33)32(18)1
    3-16-5-8-26(27,28)9-6-16/
    h15-20,24,36H,3-14H2,1-2H
    3,(H,29,34)(H,30,35)(H,31
    ,37)(H,38,39,40)/t17-,18-
    ,19-,20-,24+/m0/s1;
    RHYSFFXFVGVALZ-JZBNULMRSA-N    		 CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1CC2CCC(
    F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O
    )[S](O)(=O)=O; CC(C)C[C@@H](C(=O)N[C@@H]
    (C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC
    [C@@H]2CCC(=O)N2CC3CCC(CC3)(F)F; CC(C)C[
    C@H](NC(=O)OC[C@@H]1CCC(=O)N1CC2CCC(F)(F
    )CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](
    O)[S](O)(=O)=O; O=C1NCCC1CC(NC(=O)C(CC(C
    )C)NC(=O)OCC1CCC(=O)N1CC1CCC(F)(F)CC1)C(
    O)S(=O)(=O)O; CC(C)CC(C(=O)NC(CC1CCNC1=O
    )C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CC
    C(CC3)(F)F    		 (1R,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12616
    A1AGP    		 3 C26 H42 F2 N4 O9 S InChI=1S/C26H42F2N4O9S/c1
    -15(2)11-19(23(35)30-20(2
    4(36)42(38,39)40)12-17-7-
    10-29-22(17)34)31-25(37)4
    1-14-18-3-4-21(33)32(18)1
    3-16-5-8-26(27,28)9-6-16/
    h15-20,24,36H,3-14H2,1-2H
    3,(H,29,34)(H,30,35)(H,31
    ,37)(H,38,39,40)/t17-,18-
    ,19-,20-,24-/m0/s1;
    RHYSFFXFVGVALZ-HPGFDKJQSA-N    		 CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1CC2CCC(
    F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O
    )[S](O)(=O)=O; CC(C)C[C@@H](C(=O)N[C@@H]
    (C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC
    [C@@H]2CCC(=O)N2CC3CCC(CC3)(F)F; O=C1NCC
    C1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1C
    C1CCC(F)(F)CC1)C(O)S(=O)(=O)O; CC(C)CC(C
    (=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O
    CC2CCC(=O)N2CC3CCC(CC3)(F)F; CC(C)C[C@H]
    (NC(=O)OC[C@@H]1CCC(=O)N1CC2CCC(F)(F)CC2
    )C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](O)[
    S](O)(=O)=O    		 (1S,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12617
    A1AGQ    		 4 C27 H42 N4 O9 S InChI=1S/C27H42N4O9S/c1-1
    5(2)9-21(25(34)29-22(26(3
    5)41(37,38)39)12-18-7-8-2
    8-24(18)33)30-27(36)40-14
    -20-5-6-23(32)31(20)13-19
    -11-16-3-4-17(19)10-16/h3
    -4,15-22,26,35H,5-14H2,1-
    2H3,(H,28,33)(H,29,34)(H,
    30,36)(H,37,38,39)/t16-,1
    7+,18+,19-,20+,21+,22+,26
    -/m1/s1;
    DZWIJESAJPXJIB-AQOOIRESSA-N    		 O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC
    (=O)N1CC1CC2CC1C=C2)C(O)S(=O)(=O)O; CC(C
    )C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1C[C@H]2C
    [C@H]3C[C@@H]2C=C3)C(=O)N[C@@H](C[C@@H]4
    CCNC4=O)[C@H](O)[S](O)(=O)=O; CC(C)C[C@@
    H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O
    )(=O)O)NC(=O)OC[C@@H]2CCC(=O)N2C[C@H]3C[
    C@H]4C[C@@H]3C=C4; CC(C)CC(C(=O)NC(CC1CC
    NC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2
    CC3CC4CC3C=C4; CC(C)C[CH](NC(=O)OC[CH]1C
    CC(=O)N1C[CH]2C[CH]3C[CH]2C=C3)C(=O)N[CH
    ](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O    		 (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12618
    A1AGR    		 4 C27 H42 N4 O9 S InChI=1S/C27H42N4O9S/c1-1
    5(2)9-21(25(34)29-22(26(3
    5)41(37,38)39)12-18-7-8-2
    8-24(18)33)30-27(36)40-14
    -20-5-6-23(32)31(20)13-19
    -11-16-3-4-17(19)10-16/h3
    -4,15-22,26,35H,5-14H2,1-
    2H3,(H,28,33)(H,29,34)(H,
    30,36)(H,37,38,39)/t16-,1
    7+,18+,19-,20+,21+,22+,26
    +/m1/s1;
    DZWIJESAJPXJIB-XTXIHYAPSA-N    		 O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC
    (=O)N1CC1CC2CC1C=C2)C(O)S(=O)(=O)O; CC(C
    )C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(
    O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)N2C[C
    @H]3C[C@H]4C[C@@H]3C=C4; CC(C)CC(C(=O)NC
    (CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC
    (=O)N2CC3CC4CC3C=C4; CC(C)C[CH](NC(=O)OC
    [CH]1CCC(=O)N1C[CH]2C[CH]3C[CH]2C=C3)C(=
    O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=
    O; CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1C
    [C@H]2C[C@H]3C[C@@H]2C=C3)C(=O)N[C@@H](C
    [C@@H]4CCNC4=O)[C@@H](O)[S](O)(=O)=O    		 (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12619
    A1AGS    		 3 C27 H36 F2 N4 O11 S InChI=1S/C27H36F2N4O11S/c
    1-14(2)9-18(24(36)31-19(2
    5(37)45(39,40)41)11-16-7-
    8-30-23(16)35)32-26(38)42
    -13-17-4-6-22(34)33(17)12
    -15-3-5-20-21(10-15)44-27
    (28,29)43-20/h3,5,10,14,1
    6-19,25,37H,4,6-9,11-13H2
    ,1-2H3,(H,30,35)(H,31,36)
    (H,32,38)(H,39,40,41)/t16
    -,17-,18-,19-,25+/m0/s1;
    ITFVOMQMGITEDI-WAMQXFNRSA-N    		 CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1Cc2c
    cc3OC(F)(F)Oc3c2)C(=O)N[C@@H](C[C@@H]4CC
    NC4=O)[C@H](O)[S](O)(=O)=O; CC(C)C[CH](N
    C(=O)OC[CH]1CCC(=O)N1Cc2ccc3OC(F)(F)Oc3c
    2)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)
    (=O)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H
    ]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2
    CCC(=O)N2Cc3ccc4c(c3)OC(O4)(F)F; CC(C)CC
    (C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O
    )OCC2CCC(=O)N2Cc3ccc4c(c3)OC(O4)(F)F; O=
    C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=
    O)N1Cc1ccc2OC(F)(F)Oc2c1)C(O)S(=O)(=O)O    		 (1R,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12620
    A1AGT    		 3 C27 H36 F2 N4 O11 S InChI=1S/C27H36F2N4O11S/c
    1-14(2)9-18(24(36)31-19(2
    5(37)45(39,40)41)11-16-7-
    8-30-23(16)35)32-26(38)42
    -13-17-4-6-22(34)33(17)12
    -15-3-5-20-21(10-15)44-27
    (28,29)43-20/h3,5,10,14,1
    6-19,25,37H,4,6-9,11-13H2
    ,1-2H3,(H,30,35)(H,31,36)
    (H,32,38)(H,39,40,41)/t16
    -,17-,18-,19-,25-/m0/s1;
    ITFVOMQMGITEDI-ODZAAPRTSA-N    		 CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1Cc2ccc3
    OC(F)(F)Oc3c2)C(=O)N[CH](C[CH]4CCNC4=O)[
    CH](O)[S](O)(=O)=O; CC(C)C[C@@H](C(=O)N[
    C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(
    =O)OC[C@@H]2CCC(=O)N2Cc3ccc4c(c3)OC(O4)(
    F)F; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O
    )(=O)O)NC(=O)OCC2CCC(=O)N2Cc3ccc4c(c3)OC
    (O4)(F)F; O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(
    =O)OCC1CCC(=O)N1Cc1ccc2OC(F)(F)Oc2c1)C(O
    )S(=O)(=O)O; CC(C)C[C@H](NC(=O)OC[C@@H]1
    CCC(=O)N1Cc2ccc3OC(F)(F)Oc3c2)C(=O)N[C@@
    H](C[C@@H]4CCNC4=O)[C@@H](O)[S](O)(=O)=O    		 (1S,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12621
    A1AGU    		 1 C27 H42 N4 O9 S InChI=1S/C27H42N4O9S/c1-1
    5(2)7-21(25(34)29-22(26(3
    5)41(37,38)39)11-19-5-6-2
    8-24(19)33)30-27(36)40-14
    -17-10-23(32)31(12-17)13-
    20-9-16-3-4-18(20)8-16/h3
    -4,15-22,26,35H,5-14H2,1-
    2H3,(H,28,33)(H,29,34)(H,
    30,36)(H,37,38,39)/t16-,1
    7+,18+,19+,20+,21+,22+,26
    -/m1/s1;
    QOJHUOHZVTVTCS-NWOQJEOISA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2CC(=O)N(C
    2)C[C@@H]3C[C@H]4C[C@@H]3C=C4; CC(C)CC(C
    (=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O
    CC2CC(=O)N(C2)CC3CC4CC3C=C4; CC(C)C[CH](
    NC(=O)OC[CH]1CN(C[CH]2C[CH]3C[CH]2C=C3)C
    (=O)C1)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[
    S](O)(=O)=O; CC(C)C[C@H](NC(=O)OC[C@@H]1
    CN(C[C@@H]2C[C@H]3C[C@@H]2C=C3)C(=O)C1)C
    (=O)N[C@@H](C[C@@H]4CCNC4=O)[C@H](O)[S](
    O)(=O)=O; O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(
    =O)OCC1CC(=O)N(CC2CC3CC2C=C3)C1)C(O)S(=O
    )(=O)O    		 (1R,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12622
    A1AGV    		 1 C27 H42 N4 O9 S InChI=1S/C27H42N4O9S/c1-1
    5(2)7-21(25(34)29-22(26(3
    5)41(37,38)39)11-19-5-6-2
    8-24(19)33)30-27(36)40-14
    -17-10-23(32)31(12-17)13-
    20-9-16-3-4-18(20)8-16/h3
    -4,15-22,26,35H,5-14H2,1-
    2H3,(H,28,33)(H,29,34)(H,
    30,36)(H,37,38,39)/t16-,1
    7+,18+,19+,20+,21+,22+,26
    +/m1/s1;
    QOJHUOHZVTVTCS-MHJVTTCDSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2CC(=O)N(C
    2)C[C@@H]3C[C@H]4C[C@@H]3C=C4; CC(C)CC(C
    (=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O
    CC2CC(=O)N(C2)CC3CC4CC3C=C4; CC(C)C[CH](
    NC(=O)OC[CH]1CN(C[CH]2C[CH]3C[CH]2C=C3)C
    (=O)C1)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[
    S](O)(=O)=O; CC(C)C[C@H](NC(=O)OC[C@@H]1
    CN(C[C@@H]2C[C@H]3C[C@@H]2C=C3)C(=O)C1)C
    (=O)N[C@@H](C[C@@H]4CCNC4=O)[C@@H](O)[S]
    (O)(=O)=O; O=C1NCCC1CC(NC(=O)C(CC(C)C)NC
    (=O)OCC1CC(=O)N(CC2CC3CC2C=C3)C1)C(O)S(=
    O)(=O)O    		 (1S,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12623
    A1AGW    		 2 C26 H44 N4 O9 S InChI=1S/C26H44N4O9S/c1-1
    6(2)12-20(24(33)28-21(25(
    34)40(36,37)38)13-18-10-1
    1-27-23(18)32)29-26(35)39
    -15-19-8-9-22(31)30(19)14
    -17-6-4-3-5-7-17/h16-21,2
    5,34H,3-15H2,1-2H3,(H,27,
    32)(H,28,33)(H,29,35)(H,3
    6,37,38)/t18-,19-,20-,21-
    ,25+/m0/s1;
    UDXIYOCRUKPXES-ROYUMMMZSA-N    		 CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1CC2CCCC
    C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O
    )(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)
    S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CCCCC3;
    CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CC2
    CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H
    ](O)[S](O)(=O)=O; CC(C)C[C@@H](C(=O)N[C@
    @H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O
    )OC[C@@H]2CCC(=O)N2CC3CCCCC3; O=C1NCCC1C
    C(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1C
    CCCC1)C(O)S(=O)(=O)O    		 (1R,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12624
    A1AGX    		 3 C26 H44 N4 O9 S InChI=1S/C26H44N4O9S/c1-1
    6(2)12-20(24(33)28-21(25(
    34)40(36,37)38)13-18-10-1
    1-27-23(18)32)29-26(35)39
    -15-19-8-9-22(31)30(19)14
    -17-6-4-3-5-7-17/h16-21,2
    5,34H,3-15H2,1-2H3,(H,27,
    32)(H,28,33)(H,29,35)(H,3
    6,37,38)/t18-,19-,20-,21-
    ,25-/m0/s1;
    UDXIYOCRUKPXES-SQDATOHTSA-N    		 CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1CC2CCCC
    C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O
    )(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)
    S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CCCCC3;
    CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1
    =O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)
    N2CC3CCCCC3; CC(C)C[C@H](NC(=O)OC[C@@H]1
    CCC(=O)N1CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3
    CCNC3=O)[C@@H](O)[S](O)(=O)=O; O=C1NCCC1
    CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1
    CCCCC1)C(O)S(=O)(=O)O    		 (1S,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12625
    A1AGY    		 2 C26 H44 N4 O9 S InChI=1S/C26H44N4O9S/c1-1
    6(2)12-20(24(33)28-21(25(
    34)40(36,37)38)13-18-10-1
    1-27-23(18)32)29-26(35)39
    -15-19-8-9-22(31)30(19)14
    -17-6-4-3-5-7-17/h16-21,2
    5,34H,3-15H2,1-2H3,(H,27,
    32)(H,28,33)(H,29,35)(H,3
    6,37,38)/t18-,19+,20-,21-
    ,25+/m0/s1;
    UDXIYOCRUKPXES-QQQKFWQGSA-N    		 CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1CC2CCCC
    C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O
    )(=O)=O; CC(C)C[C@H](NC(=O)OC[C@H]1CCC(=
    O)N1CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3
    =O)[C@H](O)[S](O)(=O)=O; CC(C)CC(C(=O)NC
    (CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC
    (=O)N2CC3CCCCC3; CC(C)C[C@@H](C(=O)N[C@@
    H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)
    OC[C@H]2CCC(=O)N2CC3CCCCC3; O=C1NCCC1CC(
    NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CCC
    CC1)C(O)S(=O)(=O)O    		 (1R,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12626
    A1AGZ    		 4 C26 H44 N4 O9 S InChI=1S/C26H44N4O9S/c1-1
    6(2)12-20(24(33)28-21(25(
    34)40(36,37)38)13-18-10-1
    1-27-23(18)32)29-26(35)39
    -15-19-8-9-22(31)30(19)14
    -17-6-4-3-5-7-17/h16-21,2
    5,34H,3-15H2,1-2H3,(H,27,
    32)(H,28,33)(H,29,35)(H,3
    6,37,38)/t18-,19+,20-,21-
    ,25-/m0/s1;
    UDXIYOCRUKPXES-YKUDZUIHSA-N    		 CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1CC2CCCC
    C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O
    )(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)
    S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CCCCC3;
    CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1
    =O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2CCC(=O)N
    2CC3CCCCC3; CC(C)C[C@H](NC(=O)OC[C@H]1CC
    C(=O)N1CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CC
    NC3=O)[C@@H](O)[S](O)(=O)=O; O=C1NCCC1CC
    (NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CC
    CCC1)C(O)S(=O)(=O)O    		 (1S,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    12627
    A1AH0    		 4 C33 H40 N8 O2 InChI=1S/C33H40N8O2/c1-3-
    32(26-7-5-4-6-8-26)9-13-3
    8(22-32)27-19-25(2)41(29(
    42)20-27)18-17-39-23-33(3
    6-31(39)43)10-14-37(15-11
    -33)30-28-21-34-24-40(28)
    16-12-35-30/h4-8,12,16,19
    -21,24H,3,9-11,13-15,17-1
    8,22-23H2,1-2H3,(H,36,43)
    /t32-/m0/s1;
    XQEDRYSEMCDBGN-YTTGMZPUSA-N    		 CC[C]1(CCN(C1)C2=CC(=O)N(CCN3CC4(CCN(CC4
    )c5nccn6cncc56)NC3=O)C(=C2)C)c7ccccc7; C
    C[C@@]1(CCN(C1)C2=CC(=O)N(CCN3CC4(CCN(CC
    4)c5nccn6cncc56)NC3=O)C(=C2)C)c7ccccc7;
    CCC1(CCN(C1)C=1C=C(C)N(CCN2CC3(CCN(CC3)c
    3nccn4cncc43)NC2=O)C(=O)C=1)c1ccccc1; CC
    [C@@]1(CCN(C1)C2=CC(=O)N(C(=C2)C)CCN3CC4
    (CCN(CC4)c5c6cncn6ccn5)NC3=O)c7ccccc7; C
    CC1(CCN(C1)C2=CC(=O)N(C(=C2)C)CCN3CC4(CC
    N(CC4)c5c6cncn6ccn5)NC3=O)c7ccccc7    		 3-(2-{4-[(3R)-3-ethyl-3-phenylpyrrolidin-1-yl]-6-methyl-2-oxopyridin-1(2H)-yl}ethyl)-8-[(4R)-imidazo[1,5-a]pyrazin-8-yl]-1,3,8-triazaspiro[4.5]decan-2-one
    12628
    A1AH1    		 4 C19 H24 N2 O InChI=1S/C19H24N2O/c1-4-1
    9(16-8-6-5-7-9-16)10-11-2
    1(14-19)17-12-15(2)20(3)1
    8(22)13-17/h5-9,12-13H,4,
    10-11,14H2,1-3H3/t19-/m0/
    s1;
    LQTQHGNRVSBBOH-IBGZPJMESA-N    		 CC[C@@]1(CCN(C1)C2=CC(=O)N(C(=C2)C)C)c3c
    cccc3; CCC1(CCN(C1)C2=CC(=O)N(C(=C2)C)C)
    c3ccccc3; CC[C]1(CCN(C1)C2=CC(=O)N(C)C(=
    C2)C)c3ccccc3; CC[C@@]1(CCN(C1)C2=CC(=O)
    N(C)C(=C2)C)c3ccccc3; CC1=CC(=CC(=O)N1C)
    N1CCC(C1)(CC)c1ccccc1    		 4-[(3R)-3-ethyl-3-phenylpyrrolidin-1-yl]-1,6-dimethylpyridin-2(1H)-one
    12629
    A1AH2    		 4 C28 H30 N4 O4 InChI=1S/C28H30N4O4/c1-20
    (23-8-4-3-5-9-23)18-36-25
    -13-21(2)32(27(33)15-25)1
    1-12-35-28(34)30-16-22-7-
    6-10-24(14-22)26-17-29-19
    -31-26/h3-10,13-15,17,19-
    20H,11-12,16,18H2,1-2H3,(
    H,29,31)(H,30,34);
    NINBOLDIDLZOHQ-UHFFFAOYSA-N    		 C[CH](COC1=CC(=O)N(CCOC(=O)NCc2cccc(c2)c
    3c[nH]cn3)C(=C1)C)c4ccccc4; CC1=CC(=CC(=
    O)N1CCOC(=O)NCc2cccc(c2)c3c[nH]cn3)OCC(C
    )c4ccccc4; CC1=CC(=CC(=O)N1CCOC(=O)NCc1c
    ccc(c1)c1c[NH]cn1)OCC(C)c1ccccc1; C[C@H]
    (COC1=CC(=O)N(CCOC(=O)NCc2cccc(c2)c3c[nH
    ]cn3)C(=C1)C)c4ccccc4; CC1=CC(=CC(=O)N1C
    COC(=O)NCc2cccc(c2)c3c[nH]cn3)OC[C@@H](C
    )c4ccccc4    		 2-{6-methyl-2-oxo-4-[(2S)-2-phenylpropoxy]pyridin-1(2H)-yl}ethyl {[(3P)-3-(1H-imidazol-4-yl)phenyl]methyl}carbamate
    12630
    A1AH3    		 3 C17 H23 N5 O14 P2 InChI=1S/C17H23N5O14P2/c1
    8-5-17(10-2-1-7-15(19)20-
    6-21-22(7)10)14(26)12(24)
    9(35-17)4-33-38(30,31)36-
    37(28,29)32-3-8-11(23)13(
    25)16(27)34-8/h1-2,6,8-9,
    11-14,16,23-27H,3-4H2,(H,
    28,29)(H,30,31)(H2,19,20,
    21)/t8-,9-,11-,12-,13-,14
    -,16-,17+/m1/s1;
    OXUMWBCVIOHGKL-AFOAYCNSSA-N    		 c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C
    @H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]
    ([C@H]([C@@H](O4)O)O)O)O)O)C#N; c1cc(n2c
    1c(ncn2)N)C3(C(C(C(O3)COP(=O)(O)OP(=O)(O
    )OCC4C(C(C(O4)O)O)O)O)O)C#N; Nc1ncnn2c1c
    cc2[C@@]3(O[C@H](CO[P](O)(=O)O[P](O)(=O)
    OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O)[C@@H
    ](O)[C@H]3O)C#N; Nc1ncnn2c1ccc2[C]3(O[CH
    ](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)
    [CH](O)[CH]4O)[CH](O)[CH]3O)C#N; OC1C(O)
    C(O)OC1COP(=O)(O)OP(=O)(O)OCC1OC(C#N)(C(
    O)C1O)c1ccc2c(N)ncnn21    		 {(2R,3S,4R,5R)-5-[(8S)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate
    12631
    A1AH4    		 4 C32 H49 N10 O22 P3 S InChI=1S/C32H49N10O22P3S/
    c1-32(2,12-60-67(57,58)64
    -66(55,56)59-10-16-24(63-
    65(52,53)54)23(48)30(62-1
    6)42-14-38-20-26(33)36-13
    -37-27(20)42)25(49)28(50)
    35-5-3-18(44)34-6-8-68-11
    -19(45)39-17-4-7-41(31(51
    )40-17)29-22(47)21(46)15(
    9-43)61-29/h4,7,13-16,21-
    25,29-30,43,46-49H,3,5-6,
    8-12H2,1-2H3,(H,34,44)(H,
    35,50)(H,55,56)(H,57,58)(
    H2,33,36,37)(H2,52,53,54)
    (H,39,40,45,51)/t15-,16-,
    21+,22+,23+,24-,25+,29-,3
    0-/m1/s1;
    CDGBUBJHIITENP-CLLAXTHFSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](
    [C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)
    (O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NC4=NC
    (=O)N(C=C4)[C@H]5[C@H]([C@H]([C@H](O5)CO
    )O)O)O; OC1C(O)C(CO)OC1N1C=CC(=NC1=O)NC(
    =O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(
    O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C
    1OP(=O)(O)O; CC(C)(COP(=O)(O)OP(=O)(O)OC
    C1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C
    (C(=O)NCCC(=O)NCCSCC(=O)NC4=NC(=O)N(C=C4
    )C5C(C(C(O5)CO)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)NCCSCC(=O)NC4=NC(=O)N(C=C4
    )[C@@H]5O[C@H](CO)[C@H](O)[C@@H]5O; CC(C
    )(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([C
    H](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)
    [CH](O)C(=O)NCCC(=O)NCCSCC(=O)NC4=NC(=O)
    N(C=C4)[CH]5O[CH](CO)[CH](O)[CH]5O    		 [[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[[1-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
    12632
    A1AH6    		 4 C31 H32 N4 O4 InChI=1S/C31H32N4O4/c1-21
    (24-8-4-3-5-9-24)19-39-26
    -11-12-27-22(2)35(30(36)2
    8(27)16-26)13-14-38-31(37
    )33-17-23-7-6-10-25(15-23
    )29-18-32-20-34-29/h3-12,
    15-16,18,20-22H,13-14,17,
    19H2,1-2H3,(H,32,34)(H,33
    ,37)/t21-,22-/m1/s1;
    KJRRRXDHRVEMIE-FGZHOGPDSA-N    		 C[C@@H]1c2ccc(cc2C(=O)N1CCOC(=O)NCc3cccc
    (c3)c4c[nH]cn4)OC[C@H](C)c5ccccc5; CC1c2
    ccc(cc2C(=O)N1CCOC(=O)NCc3cccc(c3)c4c[nH
    ]cn4)OCC(C)c5ccccc5; C[C@H](COc1ccc2[C@@
    H](C)N(CCOC(=O)NCc3cccc(c3)c4c[nH]cn4)C(
    =O)c2c1)c5ccccc5; CC(COc1cc2C(=O)N(CCOC(
    =O)NCc3cccc(c3)c3c[NH]cn3)C(C)c2cc1)c1cc
    ccc1; C[CH](COc1ccc2[CH](C)N(CCOC(=O)NCc
    3cccc(c3)c4c[nH]cn4)C(=O)c2c1)c5ccccc5    		 2-{(1R)-1-methyl-3-oxo-5-[(2S)-2-phenylpropoxy]-1,3-dihydro-2H-isoindol-2-yl}ethyl {[(3M)-3-(1H-imidazol-4-yl)phenyl]methyl}carbamate
    12633
    A1AH7    		 4 C21 H32 N4 O4 InChI=1S/C21H32N4O4/c1-3-
    19(27)25(17-7-5-4-6-8-17)
    21(20(28)29-2)10-15-24(16
    -11-21)14-9-18(26)23-13-1
    2-22/h4-8H,3,9-16,22H2,1-
    2H3,(H,23,26);
    XXIJBKRNWYCXNY-UHFFFAOYSA-N    		 CCC(=O)N(c1ccccc1)C2(CCN(CCC(=O)NCCN)CC2
    )C(=O)OC; O=C(OC)C1(CCN(CCC(=O)NCCN)CC1)
    N(c1ccccc1)C(=O)CC; CCC(=O)N(c1ccccc1)C2
    (CCN(CC2)CCC(=O)NCCN)C(=O)OC    		 methyl 1-{3-[(2-aminoethyl)amino]-3-oxopropyl}-4-(N-phenylpropanamido)piperidine-4-carboxylate
    12634
    A1AH8    		 8 C18 H18 N6 InChI=1S/C18H18N6/c1-2-4-
    16-14(3-1)15(10-20-16)13-
    5-6-18-17(9-13)21-22-24(1
    8)12-23-8-7-19-11-23/h1-6
    ,9-10,19-20H,7-8,11-12H2;
    YHFZKNPKEVXLSM-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)c3ccc4c(c3)nnn4CN5CC
    NC5; c1c(ccc2c1nnn2CN1CCNC1)c1c[NH]c2ccc
    cc21; C1CN(CN1)Cn2nnc3cc(ccc23)c4c[nH]c5
    ccccc45    		 (5P)-1-[(imidazolidin-1-yl)methyl]-5-(1H-indol-3-yl)-1H-1,2,3-benzotriazole
    12635
    A1AH9    		 6 C20 H22 N6 InChI=1S/C20H22N6/c1-2-4-
    18-16(3-1)17(14-22-18)15-
    5-6-20-19(13-15)23-24-26(
    20)12-11-25-9-7-21-8-10-2
    5/h1-6,13-14,21-22H,7-12H
    2;
    SYUKRGUWSXQFQM-UHFFFAOYSA-N    		 c1c(ccc2c1nnn2CCN1CCNCC1)c1c[NH]c2ccccc2
    1; C1CN(CCN1)CCn2nnc3cc(ccc23)c4c[nH]c5c
    cccc45; c1ccc2c(c1)c(c[nH]2)c3ccc4c(c3)n
    nn4CCN5CCNCC5    		 (5P)-5-(1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-1,2,3-benzotriazole
    12636
    A1AHB    		 4 C44 H58 N8 O5 S InChI=1S/C44H58N8O5S/c1-8
    -51-37-12-11-28-19-31(37)
    33(40(51)32-20-29(23-45-3
    9(32)27(3)56-7)50-16-14-4
    9(6)15-17-50)22-44(4,5)25
    -57-43(55)34-10-9-13-52(4
    8-34)42(54)35(21-38-46-36
    (28)24-58-38)47-41(53)30-
    18-26(30)2/h11-12,19-20,2
    3-24,26-27,30,34-35,48H,8
    -10,13-18,21-22,25H2,1-7H
    3,(H,47,53)/t26-,27+,30+,
    34+,35-/m0/s1;
    FVICRBSEYSHKFY-MYQJQZSQSA-N    		 CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[C@@H]4CCC
    [N@](N4)C(=O)[C@H](Cc5scc3n5)NC(=O)[C@H]
    6C[C@@H]6C)c1c7cc(cnc7[C@H](C)OC)N8CCN(C
    )CC8; CCn1c2ccc-3cc2c(c1c4cc(cnc4[C@H](C
    )OC)N5CCN(CC5)C)CC(COC(=O)[C@@H]6CCCN(N6
    )C(=O)[C@H](Cc7nc3cs7)NC(=O)[C@H]8C[C@@H
    ]8C)(C)C; CCn1c2ccc3cc2c(CC(C)(C)COC(=O)
    [CH]4CCC[N](N4)C(=O)[CH](Cc5scc3n5)NC(=O
    )[CH]6C[CH]6C)c1c7cc(cnc7[CH](C)OC)N8CCN
    (C)CC8; CCn1c2ccc-3cc2c(c1c4cc(cnc4C(C)O
    C)N5CCN(CC5)C)CC(COC(=O)C6CCCN(N6)C(=O)C
    (Cc7nc3cs7)NC(=O)C8CC8C)(C)C; CN1CCN(CC1
    )c1cc(c(nc1)C(C)OC)c1n(CC)c2ccc3cc2c1CC(
    C)(C)COC(=O)C1CCCN(N1)C(=O)C(Cc1nc3cs1)N
    C(=O)C1CC1C    		 (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide
    12637
    A1AHC    		 5 C12 H16 N2 O7 InChI=1S/C12H16N2O7/c13-9
    -11(17)10(16)8(5-15)21-12
    (9)20-7-3-1-6(2-4-7)14(18
    )19/h1-4,8-12,15-17H,5,13
    H2/t8-,9-,10+,11-,12+/m1/
    s1;
    ZRNBGANFPXCMFT-ZIQFBCGOSA-N    		 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@
    H]([C@H]([C@H](O2)CO)O)O)N; N[C@@H]1[C@@
    H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc2ccc(c
    c2)[N+]([O-])=O; c1cc(ccc1[N+](=O)[O-])O
    C2C(C(C(C(O2)CO)O)O)N; N[CH]1[CH](O)[CH]
    (O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O
    ; [O-][N+](=O)c1ccc(cc1)OC1OC(CO)C(O)C(O
    )C1N    		 4-nitrophenyl 2-amino-2-deoxy-alpha-D-galactopyranoside
    12638
    A1AHE    		 15 C22 H18 F2 N4 O5 S InChI=1S/C22H18F2N4O5S/c1
    -12-15-6-5-14(32-21-17(23
    )4-3-8-27-21)11-18(15)33-
    22(29)16(12)10-13-7-9-26-
    20(19(13)24)28-34(30,31)2
    5-2/h3-9,11,25H,10H2,1-2H
    3,(H,26,28);
    YQSZJOABXRROQR-UHFFFAOYSA-N    		 CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(cc3OC2=
    O)Oc2ncccc2F)c1F; CC1=C(C(=O)Oc2c1ccc(c2
    )Oc3c(cccn3)F)Cc4ccnc(c4F)NS(=O)(=O)NC;
    CN[S](=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4nc
    ccc4F)cc3OC2=O)c1F    		 N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide
    12639
    A1AHF    		 1 C46 H89 N O8 InChI=1S/C46H89NO8/c1-3-5
    -7-9-11-13-15-17-18-19-20
    -21-22-24-26-28-30-32-34-
    36-42(50)47-39(38-54-46-4
    5(53)44(52)43(51)41(37-48
    )55-46)40(49)35-33-31-29-
    27-25-23-16-14-12-10-8-6-
    4-2/h39,41,43-46,48,51-53
    H,3-38H2,1-2H3,(H,47,50)/
    t39-,41-,43+,44+,45+,46-/
    m0/s1;
    HKCYWBHIRZDQLD-HMGLXMNBSA-N    		 CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]
    1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)
    C(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=
    O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCC
    CCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCCC(=O
    )NC(COC1C(C(C(C(O1)CO)O)O)O)C(=O)CCCCCCC
    CCCCCCCC; CCCCCCCCCCCCCCCCCCCCCC(=O)N[CH
    ](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)C
    (=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCC
    CCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@@H](
    O)[C@@H](O)[C@H]1O)C(=O)CCCCCCCCCCCCCCC    		 N-[(2S)-3-oxo-1-(beta-L-talopyranosyloxy)octadecan-2-yl]docosanamide
    12640
    A1AHH    		 1 C20 H21 F3 N2 O2 InChI=1S/C20H21F3N2O2/c1-
    13(18-9-8-17(11-24-18)27-
    12-20(21,22)23)25-19(26)1
    0-14-2-4-15(5-3-14)16-6-7
    -16/h2-5,8-9,11,13,16H,6-
    7,10,12H2,1H3,(H,25,26)/t
    13-/m1/s1;
    GEYDMBNDOVPFJL-CYBMUJFWSA-N    		 C[C@H](c1ccc(cn1)OCC(F)(F)F)NC(=O)Cc2ccc
    (cc2)C3CC3; C[C@@H](NC(=O)Cc1ccc(cc1)C2C
    C2)c3ccc(OCC(F)(F)F)cn3; C[CH](NC(=O)Cc1
    ccc(cc1)C2CC2)c3ccc(OCC(F)(F)F)cn3; CC(c
    1ccc(cn1)OCC(F)(F)F)NC(=O)Cc2ccc(cc2)C3C
    C3; FC(F)(F)COc1cnc(cc1)C(C)NC(=O)Cc1ccc
    (cc1)C1CC1    		 2-(4-cyclopropylphenyl)-N-{(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl}acetamide
    12641
    A1AHI    		 1 C21 H29 Cl2 F N2 O2 InChI=1S/C21H29Cl2FN2O2/c
    1-20(2)12-15(3-8-28-20)13
    -26-6-4-21(24,5-7-26)14-2
    5-19(27)16-9-17(22)11-18(
    23)10-16/h9-11,15H,3-8,12
    -14H2,1-2H3,(H,25,27)/t15
    -/m0/s1;
    DKNDOKIVCXTFHJ-HNNXBMFYSA-N    		 CC1(C)C[C@H](CCO1)CN2CCC(F)(CC2)CNC(=O)c
    3cc(Cl)cc(Cl)c3; CC1(CC(CCO1)CN2CCC(CC2)
    (CNC(=O)c3cc(cc(c3)Cl)Cl)F)C; Clc1cc(cc(
    Cl)c1)C(=O)NCC1(F)CCN(CC1)CC1CC(C)(C)OCC
    1; CC1(C)C[CH](CCO1)CN2CCC(F)(CC2)CNC(=O
    )c3cc(Cl)cc(Cl)c3; CC1(C[C@H](CCO1)CN2CC
    C(CC2)(CNC(=O)c3cc(cc(c3)Cl)Cl)F)C    		 3,5-dichloro-N-[(1-{[(4S)-2,2-dimethyloxan-4-yl]methyl}-4-fluoropiperidin-4-yl)methyl]benzamide
    12642
    A1AHJ    		 1 C19 H26 Cl2 N2 O InChI=1S/C19H26Cl2N2O/c1-
    19(2,3)4-5-23-10-16-15(17
    (16)11-23)9-22-18(24)12-6
    -13(20)8-14(21)7-12/h6-8,
    15-17H,4-5,9-11H2,1-3H3,(
    H,22,24)/t15-,16-,17+;
    GSJIGYLGKSBYBC-OSYLJGHBSA-N    		 CC(C)(C)CCN1C[C@@H]2C(CNC(=O)c3cc(Cl)cc(
    Cl)c3)[C@@H]2C1; Clc1cc(cc(Cl)c1)C(=O)NC
    C1C2CN(CCC(C)(C)C)CC21; CC(C)(C)CCN1CC2C
    (C1)C2CNC(=O)c3cc(cc(c3)Cl)Cl; CC(C)(C)C
    CN1C[C@@H]2[C@H](C1)C2CNC(=O)c3cc(cc(c3)
    Cl)Cl; CC(C)(C)CCN1C[CH]2C(CNC(=O)c3cc(C
    l)cc(Cl)c3)[CH]2C1    		 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide
    12643
    A1AHK    		 1 C22 H18 F3 N5 O InChI=1S/C22H18F3N5O/c23-
    22(24,25)21(8-9-21)17-4-1
    -15(2-5-17)11-20(31)28-19
    -7-10-30(29-19)14-18-6-3-
    16(12-26)13-27-18/h1-7,10
    ,13H,8-9,11,14H2,(H,28,29
    ,31);
    LSYANGLAZUZYFX-UHFFFAOYSA-N    		 FC(F)(F)C1(CC1)c2ccc(CC(=O)Nc3ccn(Cc4ccc
    (cn4)C#N)n3)cc2; c1cc(ccc1CC(=O)Nc2ccn(n
    2)Cc3ccc(cn3)C#N)C4(CC4)C(F)(F)F; FC(F)(
    F)C1(CC1)c1ccc(cc1)CC(=O)Nc1ccn(Cc2ncc(C
    #N)cc2)n1    		 N-{1-[(5-cyanopyridin-2-yl)methyl]-1H-pyrazol-3-yl}-2-{4-[1-(trifluoromethyl)cyclopropyl]phenyl}acetamide
    12644
    A1AHM    		 4 C26 H38 N6 O3 S InChI=1S/C26H38N6O3S/c1-1
    6-13-32(24-19(16)23(27)30
    -15-31-24)25-21(34)20(33)
    18(35-25)14-36-11-6-5-9-2
    8-12-17-8-7-10-29-22(17)2
    6(2,3)4/h7-8,10,13,15,18,
    20-21,25,28,33-34H,5-6,9,
    11-12,14H2,1-4H3,(H2,27,3
    0,31)/t18-,20-,21-,25-/m1
    /s1;
    PLCITURFVJNAFH-GUQHISFFSA-N    		 Cc1cn(c2c1c(ncn2)N)C3C(C(C(O3)CSCCCCNCc4
    cccnc4C(C)(C)C)O)O; Cc1cn(c2c1c(ncn2)N)[
    C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCCNCc4cc
    cnc4C(C)(C)C)O)O; Cc1cn([CH]2O[CH](CSCCC
    CNCc3cccnc3C(C)(C)C)[CH](O)[CH]2O)c4ncnc
    (N)c14; CC(C)(C)c1ncccc1CNCCCCSCC1OC(n2c
    c(C)c3c(N)ncnc32)C(O)C1O; Cc1cn([C@@H]2O
    [C@H](CSCCCCNCc3cccnc3C(C)(C)C)[C@@H](O)
    [C@H]2O)c4ncnc(N)c14    		 7-[5-S-(4-{[(2-tert-butylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    12645
    A1AHN    		 2 C33 H50 N9 O22 P3 S2 InChI=1S/C33H50N9O22P3S2/
    c1-33(2,13-60-67(57,58)64
    -66(55,56)59-10-18-25(63-
    65(52,53)54)24(48)31(62-1
    8)42-15-39-21-27(34)37-14
    -38-28(21)42)26(49)29(50)
    36-5-3-19(45)35-6-8-68-11
    -16(44)12-69-20-4-7-41(32
    (51)40-20)30-23(47)22(46)
    17(9-43)61-30/h4,7,14-15,
    17-18,22-26,30-31,43,46-4
    9H,3,5-6,8-13H2,1-2H3,(H,
    35,45)(H,36,50)(H,55,56)(
    H,57,58)(H2,34,37,38)(H2,
    52,53,54)/t17-,18+,22-,23
    +,24+,25-,26+,30+,31+/m0/
    s1;
    XSHNUOJAICKWRY-KAESTEPRSA-N    		 CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)CSC4=N
    C(=O)N(C=C4)[CH]5O[CH](CO)[CH](O)[CH]5O;
    CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[
    C@H]([C@H](O)[C@H]1O[P](O)(O)=O)n2cnc3c(
    N)ncnc23)[C@H](O)C(=O)NCCC(=O)NCCSCC(=O)
    CSC4=NC(=O)N(C=C4)[C@@H]5O[C@@H](CO)[C@H
    ](O)[C@H]5O; OC1C(O)C(CO)OC1N1C=CC(=NC1=
    O)SCC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
    P(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32
    )C(O)C1OP(=O)(O)O; CC(C)(COP(=O)(O)OP(=O
    )(O)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)n2cn
    c3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC
    (=O)NCCSCC(=O)CSC4=NC(=O)N(C=C4)[C@H]5[C
    @@H]([C@H]([C@@H](O5)CO)O)O)O; CC(C)(COP
    (=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn
    c3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=
    O)CSC4=NC(=O)N(C=C4)C5C(C(C(O5)CO)O)O)O    		 [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-[2-[3-[1-[(2~{R},3~{R},4~{R},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]sulfanyl-2-oxidanylidene-propyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
    12646
    A1AHO    		 4 C29 H29 N O6 S InChI=1S/C29H29NO6S/c1-35
    -24-14-8-21(9-15-24)30(17
    -18-2-3-18)37(33,34)26-16
    -25-27(19-4-10-22(31)11-5
    -19)28(29(26)36-25)20-6-1
    2-23(32)13-7-20/h4-15,18,
    25-26,29,31-32H,2-3,16-17
    H2,1H3/t25-,26+,29+/m0/s1;
    VEBABUQGMLEWKT-IWVFXYMLSA-N    		 O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O
    )cc1)N(CC1CC1)c1ccc(OC)cc1; COc1ccc(cc1)
    N(CC2CC2)[S](=O)(=O)[CH]3C[CH]4O[CH]3C(=
    C4c5ccc(O)cc5)c6ccc(O)cc6; COc1ccc(cc1)N
    (CC2CC2)[S](=O)(=O)[C@@H]3C[C@@H]4O[C@H]
    3C(=C4c5ccc(O)cc5)c6ccc(O)cc6; COc1ccc(c
    c1)N(CC2CC2)S(=O)(=O)[C@@H]3C[C@H]4C(=C(
    [C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O; COc1c
    cc(cc1)N(CC2CC2)S(=O)(=O)C3CC4C(=C(C3O4)
    c5ccc(cc5)O)c6ccc(cc6)O    		 (1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
    12647
    A1AHP    		 4 C29 H34 N8 O2 InChI=1S/C29H34N8O2/c1-21
    -14-24(34-11-8-29(2,19-34
    )22-6-4-3-5-7-22)15-26(38
    )37(21)13-10-32-28(39)33-
    23-17-36(18-23)27-25-16-3
    0-20-35(25)12-9-31-27/h3-
    7,9,12,14-16,20,23H,8,10-
    11,13,17-19H2,1-2H3,(H2,3
    2,33,39)/t29-/m0/s1;
    QTUPWQPJYZPSTC-LJAQVGFWSA-N    		 CC1=CC(=CC(=O)N1CCNC(=O)NC2CN(C2)c3c4cnc
    n4ccn3)N5CC[C@](C5)(C)c6ccccc6; CC1=CC(=
    CC(=O)N1CCNC(=O)NC2CN(C2)c3nccn4cncc34)N
    5CC[C@@](C)(C5)c6ccccc6; CC1=CC(=CC(=O)N
    1CCNC(=O)NC2CN(C2)c3nccn4cncc34)N5CC[C](
    C)(C5)c6ccccc6; CC1(CCN(C1)C=1C=C(C)N(CC
    NC(=O)NC2CN(C2)c2nccn3cncc32)C(=O)C=1)c1
    ccccc1; CC1=CC(=CC(=O)N1CCNC(=O)NC2CN(C2
    )c3c4cncn4ccn3)N5CCC(C5)(C)c6ccccc6    		 N-{1-[(4R)-imidazo[1,5-a]pyrazin-8-yl]azetidin-3-yl}-N'-(2-{6-methyl-4-[(3R)-3-methyl-3-phenylpyrrolidin-1-yl]-2-oxopyridin-1(2H)-yl}ethyl)urea
    12648
    A1AHR    		 7 C38 H46 N6 O5 InChI=1S/C38H46N6O5/c1-24
    -4-11-30-21-32(24)43-36(4
    7)23-41-34(45)3-2-18-40-3
    5(46)20-26-9-16-31(17-10-
    26)42-38(49)33(19-25-5-12
    -28(30)13-6-25)44-37(48)2
    9-14-7-27(22-39)8-15-29/h
    4-6,9-13,16-17,21,27,29,3
    3H,2-3,7-8,14-15,18-20,22
    -23,39H2,1H3,(H,40,46)(H,
    41,45)(H,42,49)(H,43,47)(
    H,44,48)/t27-,29-,33-/m0/
    s1;
    URXDTFSNSIZMCS-GSZYCOFVSA-N    		 NCC1CCC(CC1)C(=O)NC1Cc2ccc(cc2)c2cc(NC(=
    O)CNC(=O)CCCNC(=O)Cc3ccc(cc3)NC1=O)c(C)c
    c2; Cc1ccc-2cc1NC(=O)CNC(=O)CCCNC(=O)Cc3
    ccc(cc3)NC(=O)[C@H](Cc4ccc2cc4)NC(=O)C5C
    CC(CC5)CN; Cc1ccc2cc1NC(=O)CNC(=O)CCCNC(
    =O)Cc3ccc(NC(=O)[C@H](Cc4ccc2cc4)NC(=O)[
    C@H]5CC[C@H](CN)CC5)cc3; Cc1ccc-2cc1NC(=
    O)CNC(=O)CCCNC(=O)Cc3ccc(cc3)NC(=O)C(Cc4
    ccc2cc4)NC(=O)C5CCC(CC5)CN; Cc1ccc2cc1NC
    (=O)CNC(=O)CCCNC(=O)Cc3ccc(NC(=O)[CH](Cc
    4ccc2cc4)NC(=O)[CH]5CC[CH](CN)CC5)cc3    		 (1r,4S)-4-(aminomethyl)-N-[(24S)-5-methyl-8,11,16,23-tetraoxo-7,10,15,22-tetraazatetracyclo[24.2.2.2~18,21~.1~2,6~]tritriaconta-1(28),2(33),3,5,18,20,26,29,31-nonaen-24-yl]cyclohexane-1-carboxamide
    12649
    A1AHS    		 4 C28 H27 N O6 S InChI=1S/C28H27NO6S/c1-34
    -22-12-13-23-19(15-22)3-2
    -14-29(23)36(32,33)25-16-
    24-26(17-4-8-20(30)9-5-17
    )27(28(25)35-24)18-6-10-2
    1(31)11-7-18/h4-13,15,24-
    25,28,30-31H,2-3,14,16H2,
    1H3/t24-,25+,28+/m0/s1;
    OHHYVRZRCKOELO-BXTSTYNKSA-N    		 COc1ccc2c(c1)CCCN2S(=O)(=O)C3CC4C(=C(C3O
    4)c5ccc(cc5)O)c6ccc(cc6)O; O=S(=O)(C1CC2
    OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N1CCCc2c
    c(OC)ccc21; COc1ccc2N(CCCc2c1)[S](=O)(=O
    )[CH]3C[CH]4O[CH]3C(=C4c5ccc(O)cc5)c6ccc
    (O)cc6; COc1ccc2c(c1)CCCN2S(=O)(=O)[C@@H
    ]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6cc
    c(cc6)O; COc1ccc2N(CCCc2c1)[S](=O)(=O)[C
    @@H]3C[C@@H]4O[C@H]3C(=C4c5ccc(O)cc5)c6c
    cc(O)cc6    		 4,4'-[(1S,4S,5R)-5-(6-methoxy-3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol
    12650
    A1AHU    		 4 C27 H25 N O5 S InChI=1S/C27H25NO5S/c29-2
    0-11-7-18(8-12-20)25-23-1
    6-24(27(33-23)26(25)19-9-
    13-21(30)14-10-19)34(31,3
    2)28-15-3-5-17-4-1-2-6-22
    (17)28/h1-2,4,6-14,23-24,
    27,29-30H,3,5,15-16H2/t23
    -,24+,27+/m0/s1;
    IPUQEFVHNTWOMD-CLCZQPDDSA-N    		 O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O
    )cc1)N1CCCc2ccccc21; c1ccc2c(c1)CCCN2S(=
    O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc
    (cc5)O)c6ccc(cc6)O; Oc1ccc(cc1)C2=C([C@@
    H]3O[C@H]2C[C@H]3[S](=O)(=O)N4CCCc5ccccc
    45)c6ccc(O)cc6; Oc1ccc(cc1)C2=C([CH]3O[C
    H]2C[CH]3[S](=O)(=O)N4CCCc5ccccc45)c6ccc
    (O)cc6; c1ccc2c(c1)CCCN2S(=O)(=O)C3CC4C(
    =C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O    		 4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol
    12651
    A1AHV    		 4 C26 H23 N O5 S InChI=1S/C26H23NO5S/c28-1
    9-9-5-17(6-10-19)24-22-15
    -23(26(32-22)25(24)18-7-1
    1-20(29)12-8-18)33(30,31)
    27-14-13-16-3-1-2-4-21(16
    )27/h1-12,22-23,26,28-29H
    ,13-15H2/t22-,23+,26+/m1/
    s1;
    KYRSWTOGJWAWBX-UMFSSWHCSA-N    		 Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)
    (=O)N4CCc5ccccc45)c6ccc(O)cc6; c1ccc2c(c
    1)CCN2S(=O)(=O)[C@H]3C[C@@H]4C(=C([C@H]3
    O4)c5ccc(cc5)O)c6ccc(cc6)O; Oc1ccc(cc1)C
    2=C([C@H]3O[C@@H]2C[C@@H]3[S](=O)(=O)N4C
    Cc5ccccc45)c6ccc(O)cc6; c1ccc2c(c1)CCN2S
    (=O)(=O)C3CC4C(=C(C3O4)c5ccc(cc5)O)c6ccc
    (cc6)O; O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1
    )c1ccc(O)cc1)N1CCc2ccccc21    		 4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol
    12652
    A1AHW    		 4 C27 H27 N O7 S InChI=1S/C27H27NO7S/c1-34
    -22-12-6-19(7-13-22)28(14
    -15-29)36(32,33)24-16-23-
    25(17-2-8-20(30)9-3-17)26
    (27(24)35-23)18-4-10-21(3
    1)11-5-18/h2-13,23-24,27,
    29-31H,14-16H2,1H3/t23-,2
    4+,27+/m0/s1;
    AMFVUJIAKGOGTL-CLCZQPDDSA-N    		 COc1ccc(cc1)N(CCO)S(=O)(=O)C2CC3C(=C(C2O
    3)c4ccc(cc4)O)c5ccc(cc5)O; COc1ccc(cc1)N
    (CCO)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4
    ccc(O)cc4)c5ccc(O)cc5; O=S(=O)(C1CC2OC1C
    (=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CCO)c1ccc(
    OC)cc1; COc1ccc(cc1)N(CCO)S(=O)(=O)[C@@H
    ]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5cc
    c(cc5)O; COc1ccc(cc1)N(CCO)[S](=O)(=O)[C
    @@H]2C[C@@H]3O[C@H]2C(=C3c4ccc(O)cc4)c5c
    cc(O)cc5    		 (1S,2R,4S)-N-(2-hydroxyethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
    12653
    A1AHX    		 4 C29 H30 F N O6 S InChI=1S/C29H30FNO6S/c1-2
    9(2,30)17-31(20-8-14-23(3
    6-3)15-9-20)38(34,35)25-1
    6-24-26(18-4-10-21(32)11-
    5-18)27(28(25)37-24)19-6-
    12-22(33)13-7-19/h4-15,24
    -25,28,32-33H,16-17H2,1-3
    H3/t24-,25+,28+/m0/s1;
    MPFDWBAASSRQPT-BXTSTYNKSA-N    		 CC(C)(CN(c1ccc(cc1)OC)S(=O)(=O)C2CC3C(=C
    (C2O3)c4ccc(cc4)O)c5ccc(cc5)O)F; O=S(=O)
    (C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(
    CC(C)(C)F)c1ccc(OC)cc1; CC(C)(CN(c1ccc(c
    c1)OC)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]
    2O3)c4ccc(cc4)O)c5ccc(cc5)O)F; COc1ccc(c
    c1)N(CC(C)(C)F)[S](=O)(=O)[CH]2C[CH]3O[C
    H]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5; COc1ccc
    (cc1)N(CC(C)(C)F)[S](=O)(=O)[C@@H]2C[C@@
    H]3O[C@H]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5    		 (1S,2R,4S)-N-(2-fluoro-2-methylpropyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
    12654
    A1AHY    		 1 C31 H33 N O6 S InChI=1S/C31H33NO6S/c1-37
    -26-17-11-23(12-18-26)32(
    22-5-3-2-4-6-22)39(35,36)
    28-19-27-29(20-7-13-24(33
    )14-8-20)30(31(28)38-27)2
    1-9-15-25(34)16-10-21/h7-
    18,22,27-28,31,33-34H,2-6
    ,19H2,1H3/t27-,28+,31+/m1
    /s1;
    RPRGKRWEFAPSPF-XHWIWGEHSA-N    		 COc1ccc(cc1)N(C2CCCCC2)[S](=O)(=O)[C@H]3
    C[C@H]4O[C@@H]3C(=C4c5ccc(O)cc5)c6ccc(O)
    cc6; COc1ccc(cc1)N(C2CCCCC2)[S](=O)(=O)[
    CH]3C[CH]4O[CH]3C(=C4c5ccc(O)cc5)c6ccc(O
    )cc6; O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c
    1ccc(O)cc1)N(c1ccc(OC)cc1)C1CCCCC1; COc1
    ccc(cc1)N(C2CCCCC2)S(=O)(=O)[C@H]3C[C@@H
    ]4C(=C([C@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O;
    COc1ccc(cc1)N(C2CCCCC2)S(=O)(=O)C3CC4C(
    =C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O    		 (1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
    12655
    A1AHZ    		 3 C31 H33 N O6 S InChI=1S/C31H33NO6S/c1-37
    -26-17-11-23(12-18-26)32(
    22-5-3-2-4-6-22)39(35,36)
    28-19-27-29(20-7-13-24(33
    )14-8-20)30(31(28)38-27)2
    1-9-15-25(34)16-10-21/h7-
    18,22,27-28,31,33-34H,2-6
    ,19H2,1H3/t27-,28+,31+/m0
    /s1;
    RPRGKRWEFAPSPF-WTNLLYQRSA-N    		 COc1ccc(cc1)N(C2CCCCC2)[S](=O)(=O)[C@@H]
    3C[C@@H]4O[C@H]3C(=C4c5ccc(O)cc5)c6ccc(O
    )cc6; COc1ccc(cc1)N(C2CCCCC2)S(=O)(=O)[C
    @@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c
    6ccc(cc6)O; COc1ccc(cc1)N(C2CCCCC2)[S](=
    O)(=O)[CH]3C[CH]4O[CH]3C(=C4c5ccc(O)cc5)
    c6ccc(O)cc6; O=S(=O)(C1CC2OC1C(=C2c1ccc(
    O)cc1)c1ccc(O)cc1)N(c1ccc(OC)cc1)C1CCCCC
    1; COc1ccc(cc1)N(C2CCCCC2)S(=O)(=O)C3CC4
    C(=C(C3O4)c5ccc(cc5)O)c6ccc(cc6)O    		 (1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
    12656
    A1AI1    		 2 C46 H75 N7 O13 InChI=1S/C46H75N7O13/c1-2
    -3-4-5-6-7-8-9-10-11-12-1
    3-14-21-33(54)51-31(20-15
    -16-23-47)42(60)50-28-30-
    19-17-18-29(25-30)27-49-3
    5(44(61)62)40(66-45-39(59
    )36(56)32(26-48)64-45)41-
    37(57)38(58)43(65-41)53-2
    4-22-34(55)52-46(53)63/h1
    7-19,22,24-25,31-32,35-41
    ,43,45,49,56-59H,2-16,20-
    21,23,26-28,47-48H2,1H3,(
    H,50,60)(H,51,54)(H,61,62
    )(H,52,55,63)/t31-,32+,35
    -,36+,37-,38+,39+,40-,41-
    ,43+,45-/m0/s1;
    QOXTVOOYHAUVQY-YCVAMTARSA-N    		 CCCCCCCCCCCCCCCC(=O)N[CH](CCCCN)C(=O)NCc
    1cccc(CN[CH]([CH](O[CH]2O[CH](CN)[CH](O)
    [CH]2O)[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=
    O)NC4=O)C(O)=O)c1; CCCCCCCCCCCCCCCC(=O)N
    [C@@H](CCCCN)C(=O)NCc1cccc(c1)CN[C@@H]([
    C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C
    C(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H
    ](O4)CN)O)O)C(=O)O; CCCCCCCCCCCCCCCC(=O)
    N[C@@H](CCCCN)C(=O)NCc1cccc(CN[C@@H]([C@
    H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C
    @H]3O[C@H]([C@H](O)[C@@H]3O)N4C=CC(=O)NC
    4=O)C(O)=O)c1; CCCCCCCCCCCCCCCC(=O)NC(CC
    CCN)C(=O)NCc1cccc(c1)CNC(C(OC1OC(CN)C(O)
    C1O)C1OC(N2C=CC(=O)NC2=O)C(O)C1O)C(=O)O;
    CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCc1c
    ccc(c1)CNC(C(C2C(C(C(O2)N3C=CC(=O)NC3=O)
    O)O)OC4C(C(C(O4)CN)O)O)C(=O)O    		 (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-[[3-[[[(2~{S})-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]methyl]phenyl]methylamino]-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propanoic acid
    12657
    A1AI2    		 2 C46 H75 N9 O13 InChI=1S/C46H75N9O13/c1-2
    -3-4-5-6-7-8-9-10-11-12-1
    3-14-17-32(56)53-30(16-15
    -23-50-45(48)49)41(62)52-
    27-29-20-18-28(19-21-29)2
    6-51-34(43(63)64)39(68-44
    -38(61)35(58)31(25-47)66-
    44)40-36(59)37(60)42(67-4
    0)55-24-22-33(57)54-46(55
    )65/h18-22,24,30-31,34-40
    ,42,44,51,58-61H,2-17,23,
    25-27,47H2,1H3,(H,52,62)(
    H,53,56)(H,63,64)(H4,48,4
    9,50)(H,54,57,65)/t30-,31
    +,34-,35+,36-,37+,38+,39-
    ,40-,42+,44-/m0/s1;
    GXLIRXIWCOLNIY-DZHYAEAPSA-N    		 CCCCCCCCCCCCCCCC(=O)N[CH](CCCNC(N)=N)C(=
    O)NCc1ccc(CN[CH]([CH](O[CH]2O[CH](CN)[CH
    ](O)[CH]2O)[CH]3O[CH]([CH](O)[CH]3O)N4C=
    CC(=O)NC4=O)C(O)=O)cc1; [H]/N=C(\N)/NCCC
    [C@@H](C(=O)NCc1ccc(cc1)CN[C@@H]([C@@H](
    [C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)N
    C3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)C
    N)O)O)C(=O)O)NC(=O)CCCCCCCCCCCCCCC; CCCC
    CCCCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)
    NCc1ccc(CN[C@@H]([C@H](O[C@@H]2O[C@H](CN
    )[C@@H](O)[C@H]2O)[C@H]3O[C@H]([C@H](O)[
    C@@H]3O)N4C=CC(=O)NC4=O)C(O)=O)cc1; N=C(
    N)NCCCC(NC(=O)CCCCCCCCCCCCCCC)C(=O)NCc1c
    cc(cc1)CNC(C(OC1OC(CN)C(O)C1O)C1OC(N2C=C
    C(=O)NC2=O)C(O)C1O)C(=O)O; CCCCCCCCCCCCC
    CCC(=O)NC(CCCNC(=N)N)C(=O)NCc1ccc(cc1)CN
    C(C(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OC4C(
    C(C(O4)CN)O)O)C(=O)O    		 (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[4-[[[(2~{S})-5-carbamimidamido-2-(hexadecanoylamino)pentanoyl]amino]methyl]phenyl]methylamino]propanoic acid
    12658
    A1AI3    		 3 C12 H23 N O4 InChI=1S/C12H23NO4/c1-2-3
    -4-5-6-7-11(15)13-10(8-9-
    14)12(16)17/h10,14H,2-9H2
    ,1H3,(H,13,15)(H,16,17)/t
    10-/m0/s1;
    DFDLFCATYPBJHB-JTQLQIEISA-N    		 OC(=O)C(NC(=O)CCCCCCC)CCO; CCCCCCCC(=O)N
    C(CCO)C(=O)O; CCCCCCCC(=O)N[C@@H](CCO)C(
    =O)O; CCCCCCCC(=O)N[CH](CCO)C(O)=O; CCCC
    CCCC(=O)N[C@@H](CCO)C(O)=O    		 N-octanoyl-L-homoserine
    12659
    A1AI6    		 1 C16 H16 N6 O2 InChI=1S/C16H16N6O2/c1-22
    -5-6-24-13-4-2-3-12(14(13
    )22)20-16(23)19-11-7-10-8
    -18-21-15(10)17-9-11/h2-4
    ,7-9H,5-6H2,1H3,(H,17,18,
    21)(H2,19,20,23);
    WLZQKSBJGIMOOB-UHFFFAOYSA-N    		 CN1CCOc2cccc(NC(=O)Nc3cnc4[nH]ncc4c3)c12
    ; CN1CCOc2c1c(ccc2)NC(=O)Nc3cc4cn[nH]c4n
    c3; O=C(Nc1cc2cn[NH]c2nc1)Nc1cccc2OCCN(C
    )c21    		 N-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-N'-(1H-pyrazolo[3,4-b]pyridin-5-yl)urea
    12660
    A1AI7    		 1 C11 H15 N5 O2 S InChI=1S/C11H15N5O2S/c17-
    19(18)3-1-2-8(6-19)4-12-1
    0-9-5-15-16-11(9)14-7-13-
    10/h5,7-8H,1-4,6H2,(H2,12
    ,13,14,15,16)/t8-/m0/s1;
    NIEGNBSQCXGIRB-QMMMGPOBSA-N    		 O=[S]1(=O)CCC[C@@H](CNc2ncnc3[nH]ncc23)C
    1; O=S1(=O)CCCC(CNc2ncnc3[NH]ncc32)C1; O
    =[S]1(=O)CCC[CH](CNc2ncnc3[nH]ncc23)C1;
    c1c2c([nH]n1)ncnc2NCC3CCCS(=O)(=O)C3; c1
    c2c([nH]n1)ncnc2NC[C@@H]3CCCS(=O)(=O)C3    		 (3S)-3-{[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thiane-1,1-dione
    12661
    A1AI8    		 1 C12 H16 N4 O InChI=1S/C12H16N4O/c1-8(9
    -3-5-17-6-9)16-12-10-2-4-
    13-11(10)14-7-15-12/h2,4,
    7-9H,3,5-6H2,1H3,(H2,13,1
    4,15,16)/t8-,9+/m1/s1;
    ZNTSCEDVMSQTAB-BDAKNGLRSA-N    		 CC(Nc1ncnc2[NH]ccc12)C1CCOC1; CC(C1CCOC1
    )Nc2c3cc[nH]c3ncn2; C[C@@H](Nc1ncnc2[nH]
    ccc12)[C@@H]3CCOC3; C[C@H]([C@@H]1CCOC1)
    Nc2c3cc[nH]c3ncn2; C[CH](Nc1ncnc2[nH]ccc
    12)[CH]3CCOC3    		 N-{(1R)-1-[(3R)-oxolan-3-yl]ethyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    12662
    A1AI9    		 1 C21 H21 F2 N3 O4 InChI=1S/C21H21F2N3O4/c22
    -19(23)14-3-1-2-13(10-14)
    17(11-18(27)28)26-20(29)1
    2-4-6-15(7-5-12)24-21(30)
    25-16-8-9-16/h1-7,10,16-1
    7,19H,8-9,11H2,(H,26,29)(
    H,27,28)(H2,24,25,30)/t17
    -/m1/s1;
    VCEKLDMXZWNVBN-QGZVFWFLSA-N    		 c1cc(cc(c1)C(F)F)[C@H](CC(=O)O)NC(=O)c2c
    cc(cc2)NC(=O)NC3CC3; OC(=O)C[CH](NC(=O)c
    1ccc(NC(=O)NC2CC2)cc1)c3cccc(c3)C(F)F; O
    =C(Nc1ccc(cc1)C(=O)NC(CC(=O)O)c1cccc(c1)
    C(F)F)NC1CC1; OC(=O)C[C@H](NC(=O)c1ccc(N
    C(=O)NC2CC2)cc1)c3cccc(c3)C(F)F; c1cc(cc
    (c1)C(F)F)C(CC(=O)O)NC(=O)c2ccc(cc2)NC(=
    O)NC3CC3    		 (3R)-3-[4-(cyclopropylcarbamamido)benzamido]-3-[3-(difluoromethyl)phenyl]propanoic acid
    12663
    A1AIA    		 4 C12 H14 N2 O2 InChI=1S/C12H14N2O2/c1-2-
    12(9-6-4-3-5-7-9)10(15)13
    -8-14-11(12)16/h3-7H,2,8H
    2,1H3,(H,13,15)(H,14,16);
    DQMZLTXERSFNPB-UHFFFAOYSA-N    		 CCC1(C(=O)NCNC1=O)c2ccccc2; CCC1(C(=O)NC
    NC1=O)c1ccccc1    		 primidone;
    5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
    12664
    A1AIB    		 4 C21 H21 N3 O2 InChI=1S/C21H21N3O2/c1-15
    -14-19(23-26-15)22-21(25)
    20(17-9-3-2-4-10-17)24-13
    -7-11-16-8-5-6-12-18(16)2
    4/h2-6,8-10,12,14,20H,7,1
    1,13H2,1H3,(H,22,23,25)/t
    20-/m0/s1;
    KSEXDSJYVSEVGF-FQEVSTJZSA-N    		 Cc1cc(no1)NC(=O)[C@H](c2ccccc2)N3CCCc4c3
    cccc4; Cc1onc(NC(=O)[CH](N2CCCc3ccccc23)
    c4ccccc4)c1; Cc1onc(NC(=O)[C@@H](N2CCCc3
    ccccc23)c4ccccc4)c1; Cc1cc(no1)NC(=O)C(c
    2ccccc2)N3CCCc4c3cccc4; Cc1cc(NC(=O)C(c2
    ccccc2)N2CCCc3ccccc32)no1    		 (2S)-2-(3,4-dihydroquinolin-1(2H)-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
    12665
    A1AIH    		 2 C31 H44 N2 O8 S InChI=1S/C31H44N2O8S/c1-2
    1(2)19-33(42(36,37)25-14-
    12-24(38-4)13-15-25)20-27
    (34)26(18-23-9-6-5-7-10-2
    3)32-31(35)41-29-17-22(3)
    40-30(29)28-11-8-16-39-28
    /h5-7,9-10,12-15,21-22,26
    -30,34H,8,11,16-20H2,1-4H
    3,(H,32,35)/t22-,26+,27-,
    28+,29+,30+/m1/s1;
    HNDYYNUFXXLWEK-LDAKCSIQSA-N    		 CC1CC(C(O1)C2CCCO2)OC(=O)NC(Cc3ccccc3)C(
    CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O; COc1c
    cc(cc1)[S](=O)(=O)N(CC(C)C)C[C@@H](O)[C@
    H](Cc2ccccc2)NC(=O)O[C@H]3C[C@@H](C)O[C@
    H]3[C@@H]4CCCO4; C[C@@H]1C[C@@H]([C@@H](
    O1)[C@@H]2CCCO2)OC(=O)N[C@@H](Cc3ccccc3)
    [C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O
    ; COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(C
    c1ccccc1)NC(=O)OC1CC(C)OC1C1OCCC1; COc1c
    cc(cc1)[S](=O)(=O)N(CC(C)C)C[CH](O)[CH](
    Cc2ccccc2)NC(=O)O[CH]3C[CH](C)O[CH]3[CH]
    4CCCO4    		 2,5:6,9-dianhydro-1,3,7,8-tetradeoxy-4-O-({(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamoyl)-L-gluco-nonitol
    12666
    A1AIJ    		 3 C20 H16 N2 O2 S InChI=1S/C20H16N2O2S/c1-2
    0(2,19(23)24)25-18-9-10-2
    2-12-17(18)16-8-7-13(11-2
    1)14-5-3-4-6-15(14)16/h3-
    10,12H,1-2H3,(H,23,24);
    YYBOLPLTQDKXPM-UHFFFAOYSA-N    		 O=C(O)C(C)(C)Sc1ccncc1c1ccc(C#N)c2ccccc1
    2; CC(C)(C(=O)O)Sc1ccncc1c2ccc(c3c2cccc3
    )C#N; CC(C)(Sc1ccncc1c2ccc(C#N)c3ccccc23
    )C(O)=O    		 verinurad;
    2-{[(3P)-3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl}-2-methylpropanoic acid
    12667
    A1AIK    		 2 C14 H9 Cl2 N O4 S InChI=1S/C14H9Cl2NO4S/c15
    -9-5-8(6-10(16)13(9)18)14
    (19)17-7-22(20,21)12-4-2-
    1-3-11(12)17/h1-6,18H,7H2;
    VOFLAIHEELWYGO-UHFFFAOYSA-N    		 Oc1c(Cl)cc(cc1Cl)C(=O)N2C[S](=O)(=O)c3cc
    ccc23; Clc1cc(cc(Cl)c1O)C(=O)N1CS(=O)(=O
    )c2ccccc21; c1ccc2c(c1)N(CS2(=O)=O)C(=O)
    c3cc(c(c(c3)Cl)O)Cl    		 dotinurad;
    3-(3,5-dichloro-4-hydroxybenzoyl)-2,3-dihydro-1H-1lambda~6~,3-benzothiazole-1,1-dione
    12668
    A1AIL    		 2 C17 H14 Br N3 O2 S InChI=1S/C17H14BrN3O2S/c1
    8-16-19-20-17(24-9-15(22)
    23)21(16)14-8-7-11(10-5-6
    -10)12-3-1-2-4-13(12)14/h
    1-4,7-8,10H,5-6,9H2,(H,22
    ,23);
    FGQFOYHRJSUHMR-UHFFFAOYSA-N    		 OC(=O)CSc1nnc(Br)n1c2ccc(C3CC3)c4ccccc24
    ; c1ccc2c(c1)c(ccc2n3c(nnc3Br)SCC(=O)O)C
    4CC4; O=C(O)CSc1nnc(Br)n1c1ccc(C2CC2)c2c
    cccc12    		 lesinurad;
    {[(4M)-5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
    12669
    A1AIM    		 2 C24 H17 F N2 O7 S InChI=1S/C24H17FN2O7S/c25
    -35(32,33)34-20-11-15(23(
    29)27-12-14-5-2-1-3-6-14)
    9-10-16(20)17-7-4-8-18-21
    (17)26-13-19(22(18)28)24(
    30)31/h1-11,13H,12H2,(H,2
    6,28)(H,27,29)(H,30,31);
    OZKSCFDEHDSVKF-UHFFFAOYSA-N    		 c1ccc(cc1)CNC(=O)c2ccc(c(c2)OS(=O)(=O)F)
    c3cccc4c3NC=C(C4=O)C(=O)O; OC(=O)C1=CNc2
    c(cccc2c3ccc(cc3O[S](F)(=O)=O)C(=O)NCc4c
    cccc4)C1=O; FS(=O)(=O)Oc1cc(ccc1c1cccc2c
    1NC=C(C2=O)C(=O)O)C(=O)NCc1ccccc1    		 (8M)-8-{4-(benzylcarbamoyl)-2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
    12670
    A1AIO    		 16 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2(8
    )5-3(9)4(10)6(11)12-5/h2-
    11H,1H2/t2-,3-,4-,5-,6-/m
    0/s1;
    AVVWPBAENSWJCB-RUTHBDMASA-N    		 C(C(C1C(C(C(O1)O)O)O)O)O; OC[CH](O)[CH]1
    O[CH](O)[CH](O)[CH]1O; OC1C(OC(O)C1O)C(O
    )CO; OC[C@H](O)[C@@H]1O[C@H](O)[C@@H](O)
    [C@@H]1O; C([C@@H]([C@H]1[C@H]([C@@H](C(
    O1)O)O)O)O)O    		 beta-L-glucofuranose
    12671
    A1AIP    		 1 C24 H28 N6 O2 S InChI=1S/C24H28N6O2S/c1-1
    4(2)22(17-8-7-16-6-5-9-33
    (31,32)21(16)10-17)28-24-
    18-11-20(27-23(18)25-13-2
    6-24)19-12-30(4)29-15(19)
    3/h7-8,10-14,22H,5-6,9H2,
    1-4H3,(H2,25,26,27,28)/t2
    2-/m0/s1;
    VILWAZRPFRUPAE-QFIPXVFZSA-N    		 CC(C)[C@H](Nc1ncnc2[nH]c(cc12)c3cn(C)nc3
    C)c4ccc5CCC[S](=O)(=O)c5c4; Cn1cc(c(C)n1
    )c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)
    c2c1)C(C)C; Cc1c(cn(n1)C)c2cc3c([nH]2)nc
    nc3N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C
    ; Cc1c(cn(n1)C)c2cc3c([nH]2)ncnc3NC(c4cc
    c5c(c4)S(=O)(=O)CCC5)C(C)C; CC(C)[CH](Nc
    1ncnc2[nH]c(cc12)c3cn(C)nc3C)c4ccc5CCC[S
    ](=O)(=O)c5c4    		 7-[(1S)-1-{[(6P)-6-(1,3-dimethyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12672
    A1AIS    		 4 C41 H79 O13 P InChI=1S/C41H79O13P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-34(42)51-31-33
    (32-52-55(49,50)54-41-39(
    47)37(45)36(44)38(46)40(4
    1)48)53-35(43)30-28-26-24
    -22-20-18-16-14-12-10-8-6
    -4-2/h33,36-41,44-48H,3-3
    2H2,1-2H3,(H,49,50)/t33-,
    36-,37-,38-,39+,40-,41-/m
    1/s1;
    IBUKXRINTKQBRQ-ZKEAXKCJSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    [CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)
    OC(=O)CCCCCCCCCCCCCCC; OP(=O)(OC1C(O)C(O
    )C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCC)
    OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(
    =O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)
    OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(
    =O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@@H](C(
    [C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](
    O)(=O)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@
    @H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC    		 (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate
    12673
    A1AIT    		 2 C29 H18 F8 N4 O4 InChI=1S/C29H18F8N4O4/c1-
    27(30,31)12-41-23(20-21(3
    9-40-22(20)25(41)42)18-3-
    2-4-19-24(18)45-26(43)38-
    19)13-5-7-16(8-6-13)44-17
    -10-14(28(32,33)34)9-15(1
    1-17)29(35,36)37/h2-11,23
    H,12H2,1H3,(H,38,43)(H,39
    ,40)/t23-/m0/s1;
    OFKFAYQYNRXLHR-QHCPKHFHSA-N    		 CC(CN1[C@H](c2c(n[nH]c2C1=O)c3cccc4c3OC(
    =O)N4)c5ccc(cc5)Oc6cc(cc(c6)C(F)(F)F)C(F
    )(F)F)(F)F; CC(F)(F)CN1[CH](c2ccc(Oc3cc(
    cc(c3)C(F)(F)F)C(F)(F)F)cc2)c4c([nH]nc4c
    5cccc6NC(=O)Oc56)C1=O; CC(CN1C(c2c(n[nH]
    c2C1=O)c3cccc4c3OC(=O)N4)c5ccc(cc5)Oc6cc
    (cc(c6)C(F)(F)F)C(F)(F)F)(F)F; CC(F)(F)C
    N1[C@@H](c2ccc(Oc3cc(cc(c3)C(F)(F)F)C(F)
    (F)F)cc2)c4c([nH]nc4c5cccc6NC(=O)Oc56)C1
    =O; FC(F)(F)c1cc(cc(c1)C(F)(F)F)Oc1ccc(c
    c1)C1c2c([NH]nc2c2cccc3NC(=O)Oc23)C(=O)N
    1CC(C)(F)F    		 (7P)-7-[(4S)-4-{4-[3,5-bis(trifluoromethyl)phenoxy]phenyl}-5-(2,2-difluoropropyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-1,3-benzoxazol-2(3H)-one
    12674
    A1AIV    		 44 C4 H8 N2 InChI=1S/C4H8N2/c5-3-1-2-
    4-6/h1-3,5H2;
    XGYKKVTZDQDYJQ-UHFFFAOYSA-N    		 C(CC#N)CN; NCCCC#N; N#CCCCN 4-aminobutanenitrile
    12675
    A1AIX    		 0 C31 H30 N3 O9 InChI=1S/C31H29N3O9/c1-40
    -25-8-7-20-22(13-28(36)32
    -24(15-35)30(37)17-3-5-19
    (6-4-17)34(38)39)29-21-12
    -27-26(42-16-43-27)11-18(
    21)9-10-33(29)14-23(20)31
    (25)41-2/h3-8,11-12,14,24
    ,30,35,37H,9-10,13,15-16H
    2,1-2H3/p+1/t24-,30-/m1/s
    1;
    UZHFALJZQVUPGZ-AYWVHJORSA-O    		 COc1ccc2c(CC(=O)N[CH](CO)[CH](O)c3ccc(cc
    3)[N+]([O-])=O)c4c5cc6OCOc6cc5CC[n+]4cc2
    c1OC; COc1ccc2c(CC(=O)N[C@H](CO)[C@H](O)
    c3ccc(cc3)[N+]([O-])=O)c4c5cc6OCOc6cc5CC
    [n+]4cc2c1OC; COc1ccc2c(c1OC)c[n+]3c(c2C
    C(=O)N[C@H](CO)[C@@H](c4ccc(cc4)[N+](=O)
    [O-])O)-c5cc6c(cc5CC3)OCO6; COc1ccc2c(c1
    OC)c[n+]3c(c2CC(=O)NC(CO)C(c4ccc(cc4)[N+
    ](=O)[O-])O)-c5cc6c(cc5CC3)OCO6; [O-][N+
    ](=O)c1ccc(cc1)C(O)C(CO)NC(=O)Cc1c2ccc(O
    C)c(OC)c2c[n+]2CCc3cc4OCOc4cc3c12    		 13-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-9,10-dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium
    12676
    A1AIY    		 4 C19 H17 F6 N3 O InChI=1S/C19H17F6N3O/c1-1
    1(18(20,21)22)27-17(29)28
    -10-8-12-3-2-9-26-15(12)1
    6(28)13-4-6-14(7-5-13)19(
    23,24)25/h2-7,9,11,16H,8,
    10H2,1H3,(H,27,29)/t11-,1
    6+/m0/s1;
    DDBWYSSPWMXBIY-MEDUHNTESA-N    		 C[CH](NC(=O)N1CCc2cccnc2[CH]1c3ccc(cc3)C
    (F)(F)F)C(F)(F)F; CC(C(F)(F)F)NC(=O)N1CC
    c2cccnc2C1c3ccc(cc3)C(F)(F)F; C[C@@H](C(
    F)(F)F)NC(=O)N1CCc2cccnc2[C@H]1c3ccc(cc3
    )C(F)(F)F; FC(F)(F)c1ccc(cc1)C1c2ncccc2C
    CN1C(=O)NC(C)C(F)(F)F; C[C@H](NC(=O)N1CC
    c2cccnc2[C@H]1c3ccc(cc3)C(F)(F)F)C(F)(F)
    F    		 (8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide
    12677
    A1AJ0    		 0 C9 H9 N3 O2 InChI=1S/C9H9N3O2/c1-6-2-
    7-4-11-12(5-8(13)14)9(7)1
    0-3-6/h2-4H,5H2,1H3,(H,13
    ,14);
    KICZOAAIQKXMFG-UHFFFAOYSA-N    		 Cc1cnc2n(CC(O)=O)ncc2c1; O=C(O)Cn1ncc2cc
    (C)cnc21; Cc1cc2cnn(c2nc1)CC(=O)O    		 (5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
    12678
    A1AJ1    		 1 C6 H9 N3 O InChI=1S/C6H9N3O/c1-5(10)
    9-4-6-7-2-3-8-6/h2-3H,4H2
    ,1H3,(H,7,8)(H,9,10);
    SXKAQLCLHGQXHB-UHFFFAOYSA-N    		 CC(=O)NCc1[nH]ccn1; O=C(C)NCc1ncc[NH]1 N-[(1H-imidazol-2-yl)methyl]acetamide
    12679
    A1AJ2    		 3 C10 H10 N2 InChI=1S/C10H10N2/c1-11-1
    0-9-5-3-2-4-8(9)6-7-12-10
    /h2-7H,1H3,(H,11,12);
    BILUZSWZYDFPMN-UHFFFAOYSA-N    		 CNc1nccc2ccccc12; CNc1c2ccccc2ccn1; CNc1
    nccc2ccccc21    		 N-methylisoquinolin-1-amine
    12680
    A1AJ3    		 1 C10 H17 N3 O S InChI=1S/C10H17N3OS/c1-7-
    11-9(15-13-7)12-8-4-3-5-1
    0(8,2)6-14/h8,14H,3-6H2,1
    -2H3,(H,11,12,13)/t8-,10+
    /m0/s1;
    OXBOFYWMHPKHNR-WCBMZHEXSA-N    		 Cc1nsc(N[CH]2CCC[C]2(C)CO)n1; Cc1nc(sn1)
    N[C@H]2CCC[C@]2(C)CO; Cc1nc(sn1)NC2CCCC2
    (C)CO; Cc1nsc(N[C@H]2CCC[C@]2(C)CO)n1; C
    c1nc(NC2CCCC2(C)CO)sn1    		 {(1S,2S)-1-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl}methanol
    12681
    A1AJ4    		 1 C9 H13 N3 InChI=1S/C9H13N3/c10-6-5-
    9-11-7-3-1-2-4-8(7)12-9/h
    7-8H,1-5H2,(H,11,12)/t7-,
    8-/m0/s1;
    MTYFPGDPOCYMJB-YUMQZZPRSA-N    		 N#CCC1=N[CH]2CCCC[CH]2N1; C1CC[C@H]2[C@@
    H](C1)NC(=N2)CC#N; N#CCC1=N[C@H]2CCCC[C@
    H]2N1; N#CCC1=NC2CCCCC2N1; C1CCC2C(C1)NC
    (=N2)CC#N    		 [(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-1,3-benzimidazol-2-yl]acetonitrile
    12682
    A1AJ5    		 3 C10 H12 N4 InChI=1S/C10H12N4/c1-8(11
    )10-7-14(13-12-10)9-5-3-2
    -4-6-9/h2-8H,11H2,1H3/t8-
    /m0/s1;
    WHLMWNCAOOBOTJ-QMMMGPOBSA-N    		 C[C@H](N)c1cn(nn1)c2ccccc2; C[CH](N)c1cn
    (nn1)c2ccccc2; CC(N)c1cn(nn1)c1ccccc1; C
    C(c1cn(nn1)c2ccccc2)N; C[C@@H](c1cn(nn1)
    c2ccccc2)N    		 (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
    12683
    A1AJ6    		 1 C6 H14 N2 O2 S InChI=1S/C6H14N2O2S/c1-11
    (9,10)8-6-2-4-7-5-3-6/h6-
    8H,2-5H2,1H3;
    NAEICDPYHCEZMG-UHFFFAOYSA-N    		 O=S(C)(=O)NC1CCNCC1; CS(=O)(=O)NC1CCNCC1
    ; C[S](=O)(=O)NC1CCNCC1    		 N-(piperidin-4-yl)methanesulfonamide
    12684
    A1AJ7    		 2 C10 H10 N2 O2 InChI=1S/C10H10N2O2/c1-7(
    10(12)13)14-9-5-3-2-4-8(9
    )6-11/h2-5,7H,1H3,(H2,12,
    13)/t7-/m0/s1;
    DQKFGAITHBWHRW-ZETCQYMHSA-N    		 C[CH](Oc1ccccc1C#N)C(N)=O; C[C@H](Oc1ccc
    cc1C#N)C(N)=O; CC(Oc1ccccc1C#N)C(N)=O; C
    C(C(=O)N)Oc1ccccc1C#N; C[C@@H](C(=O)N)Oc
    1ccccc1C#N    		 (2S)-2-(2-cyanophenoxy)propanamide
    12685
    A1AJ8    		 4 C11 H13 F N2 O InChI=1S/C11H13FN2O/c12-1
    0-3-1-2-9(8-10)11(15)14-6
    -4-13-5-7-14/h1-3,8,13H,4
    -7H2;
    KXFXHXPKGLLUGX-UHFFFAOYSA-N    		 Fc1cccc(c1)C(=O)N2CCNCC2; O=C(c1cccc(F)c
    1)N1CCNCC1; c1cc(cc(c1)F)C(=O)N2CCNCC2    		 (3-fluorophenyl)(piperazin-1-yl)methanone
    12686
    A1AJ9    		 1 C9 H14 N4 O InChI=1S/C9H14N4O/c1-14-8
    -2-3-11-9(12-8)13-6-4-10-
    5-7-13/h2-3,10H,4-7H2,1H3;
    UWNRWWIRIZDKLH-UHFFFAOYSA-N    		 COc1ccnc(n1)N2CCNCC2; COc1nc(ncc1)N1CCNC
    C1    		 4-methoxy-2-(piperazin-1-yl)pyrimidine
    12687
    A1AJA    		 1 C43 H42 Br Cl N6 O5 S InChI=1S/C43H42BrClN6O5S/
    c1-27-13-17-31(49-57(3,54
    )55)24-37(27)47-41(52)25-
    39(34-10-4-5-11-35(34)44)
    51-40-22-28(26-50-21-7-12
    -38(50)43(53)46-2)14-20-3
    6(40)48-42(51)29-8-6-9-33
    (23-29)56-32-18-15-30(45)
    16-19-32/h4-6,8-11,13-20,
    22-24,38-39,49H,7,12,21,2
    5-26H2,1-3H3,(H,46,53)(H,
    47,52);
    SZZJHKUNVBZYMT-UHFFFAOYSA-N    		 Cc1ccc(cc1NC(=O)CC(c2ccccc2Br)n3c4cc(ccc
    4nc3c5cccc(c5)Oc6ccc(cc6)Cl)CN7CCCC7C(=O
    )NC)NS(=O)(=O)C; CNC(=O)[CH]1CCCN1Cc2ccc
    3nc(n([CH](CC(=O)Nc4cc(N[S](C)(=O)=O)ccc
    4C)c5ccccc5Br)c3c2)c6cccc(Oc7ccc(Cl)cc7)
    c6; CNC(=O)[C@H]1CCCN1Cc2ccc3nc(n([C@@H]
    (CC(=O)Nc4cc(N[S](C)(=O)=O)ccc4C)c5ccccc
    5Br)c3c2)c6cccc(Oc7ccc(Cl)cc7)c6; Cc1ccc
    (cc1NC(=O)C[C@@H](c2ccccc2Br)n3c4cc(ccc4
    nc3c5cccc(c5)Oc6ccc(cc6)Cl)CN7CCC[C@@H]7
    C(=O)NC)NS(=O)(=O)C; CS(=O)(=O)Nc1cc(NC(
    =O)CC(c2ccccc2Br)n2c3cc(CN4CCCC4C(=O)NC)
    ccc3nc2c2cccc(Oc3ccc(Cl)cc3)c2)c(C)cc1    		 1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide
    12688
    A1AJB    		 1 C43 H58 F N5 O3 InChI=1S/C43H58FN5O3/c1-4
    -49(5-2)43(52)38-30-35(19
    -20-39(38)44)36-26-34(31-
    48-24-22-47(23-25-48)21-1
    3-12-16-32-14-8-6-9-15-32
    )27-37(29-36)41(50)46-40(
    42(51)45-3)28-33-17-10-7-
    11-18-33/h6,8-9,14-15,19-
    20,26-27,29-30,33,40H,4-5
    ,7,10-13,16-18,21-25,28,3
    1H2,1-3H3,(H,45,51)(H,46,
    50);
    FKAGLAAYWOYHPB-UHFFFAOYSA-N    		 CCN(CC)C(=O)c1cc(ccc1F)c2cc(CN3CCN(CCCCc
    4ccccc4)CC3)cc(c2)C(=O)N[CH](CC5CCCCC5)C
    (=O)NC; CCN(CC)C(=O)c1cc(ccc1F)c2cc(cc(c
    2)C(=O)NC(CC3CCCCC3)C(=O)NC)CN4CCN(CC4)C
    CCCc5ccccc5; CCN(CC)C(=O)c1cc(ccc1F)c2cc
    (cc(c2)C(=O)N[C@H](CC3CCCCC3)C(=O)NC)CN4
    CCN(CC4)CCCCc5ccccc5; CCN(CC)C(=O)c1cc(c
    cc1F)c2cc(CN3CCN(CCCCc4ccccc4)CC3)cc(c2)
    C(=O)N[C@H](CC5CCCCC5)C(=O)NC; CCN(CC)C(
    =O)c1cc(ccc1F)c1cc(cc(c1)C(=O)NC(CC1CCCC
    C1)C(=O)NC)CN1CCN(CCCCc2ccccc2)CC1    		 (1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide
    12689
    A1AJC    		 1 C46 H56 F N9 O3 InChI=1S/C46H56FN9O3/c1-6
    -54(7-2)44(59)36-26-32(16
    -18-37(36)47)38-28-41(52-
    45(51-38)49-30-46(29-42(5
    7)48-4)22-12-9-13-23-46)5
    3(5)34-20-24-55(25-21-34)
    43(58)33-17-19-40-39(27-3
    3)50-31(3)56(40)35-14-10-
    8-11-15-35/h8,10-11,14-19
    ,26-28,34H,6-7,9,12-13,20
    -25,29-30H2,1-5H3,(H,48,5
    7)(H,49,51,52);
    HMDXTOLTWKZGHP-UHFFFAOYSA-N    		 CCN(CC)C(=O)c1cc(ccc1F)c2cc(nc(n2)NCC3(C
    CCCC3)CC(=O)NC)N(C)C4CCN(CC4)C(=O)c5ccc6
    c(c5)nc(n6c7ccccc7)C; O=C(c1ccc2n(c3cccc
    c3)c(C)nc2c1)N1CCC(CC1)N(C)c1cc(nc(NCC2(
    CC(=O)NC)CCCCC2)n1)c1ccc(F)c(c1)C(=O)N(C
    C)CC; CCN(CC)C(=O)c1cc(ccc1F)c2cc(nc(NCC
    3(CCCCC3)CC(=O)NC)n2)N(C)C4CCN(CC4)C(=O)
    c5ccc6n(c(C)nc6c5)c7ccccc7    		 (5P)-N,N-diethyl-2-fluoro-5-(2-[({1-[2-(methylamino)-2-oxoethyl]cyclohexyl}methyl)amino]-6-{methyl[1-(2-methyl-1-phenyl-1H-1,3-benzimidazole-5-carbonyl)piperidin-4-yl]amino}pyrimidin-4-yl)benzamide
    12690
    A1AJD    		 0 C8 H16 O InChI=1S/C8H16O/c1-2-3-4-
    5-6-7-8-9/h4-5,9H,2-3,6-8
    H2,1H3/b5-4-;
    OZQBPZSICOOLGU-PLNGDYQASA-N    		 CCC/C=C\CCCO; CCCC=CCCCO; CCC\C=C/CCCO (4Z)-oct-4-en-1-ol
    12691
    A1AJE    		 0 C8 H9 N O4 S InChI=1S/C8H9NO4S/c1-13-7
    -3-2-5(14(11)12)4-6(7)8(9
    )10/h2-4H,1H3,(H2,9,10)(H
    ,11,12);
    ORKHLRISPIOULZ-UHFFFAOYSA-N    		 OS(=O)c1cc(c(OC)cc1)C(N)=O; COc1ccc(cc1C
    (N)=O)[S](O)=O; COc1ccc(cc1C(=O)N)S(=O)O    		 (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid
    12692
    A1AJF    		 1 C12 H13 N7 InChI=1S/C12H13N7/c1-3-14
    -11-10(1)12(16-7-15-11)18
    -4-2-9(5-18)19-8-13-6-17-
    19/h1,3,6-9H,2,4-5H2,(H,1
    4,15,16)/t9-/m0/s1;
    XAFNVRMYELKWLB-VIFPVBQESA-N    		 C1CN(C[C@@H]1n2cncn2)c3ncnc4[nH]ccc34; c
    1c[nH]c2c1c(ncn2)N3CCC(C3)n4cncn4; c1c[n
    H]c2c1c(ncn2)N3CC[C@H](C3)n4cncn4; C1CN(
    C[CH]1n2cncn2)c3ncnc4[nH]ccc34; C1CC(CN1
    c1ncnc2[NH]ccc21)n1cncn1    		 4-[(3S)-3-(1H-1,2,4-triazol-1-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
    12693
    A1AJG    		 1 C12 H8 Cl N5 O InChI=1S/C12H8ClN5O/c13-1
    0-6-14-2-1-9(10)12(19)17-
    8-3-7-4-16-18-11(7)15-5-8
    /h1-6H,(H,17,19)(H,15,16,
    18);
    GKGFXBGHHDPTDL-UHFFFAOYSA-N    		 Clc1cnccc1C(=O)Nc2cnc3[nH]ncc3c2; Clc1cn
    ccc1C(=O)Nc1cc2cn[NH]c2nc1; c1cncc(c1C(=
    O)Nc2cc3cn[nH]c3nc2)Cl    		 3-chloro-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide
    12694
    A1AJH    		 1 C14 H16 N4 O3 InChI=1S/C14H16N4O3/c19-1
    3(11-9-5-6-15-12(9)17-8-1
    6-11)18-7-3-1-2-4-10(18)1
    4(20)21/h5-6,8,10H,1-4,7H
    2,(H,20,21)(H,15,16,17);
    PXMHLYZQWQKBGK-UHFFFAOYSA-N    		 O=C(c1ncnc2[NH]ccc21)N1CCCCCC1C(=O)O; c1
    c[nH]c2c1c(ncn2)C(=O)N3CCCCCC3C(=O)O; OC
    (=O)[C@@H]1CCCCCN1C(=O)c2ncnc3[nH]ccc23;
    OC(=O)[CH]1CCCCCN1C(=O)c2ncnc3[nH]ccc23
    ; c1c[nH]c2c1c(ncn2)C(=O)N3CCCCC[C@H]3C(
    =O)O    		 (2R)-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)azepane-2-carboxylic acid
    12695
    A1AJI    		 1 C14 H18 N4 O2 InChI=1S/C14H18N4O2/c1-7-
    8(2)17-12-11(7)13(16-6-15
    -12)18-14(19)10-4-5-20-9(
    10)3/h6,9-10H,4-5H2,1-3H3
    ,(H2,15,16,17,18,19)/t9-,
    10-/m0/s1;
    PQZYWGWWDMSQJB-UWVGGRQHSA-N    		 C[C@H]1OCC[C@H]1C(=O)Nc2ncnc3[nH]c(C)c(C
    )c23; Cc1c([nH]c2c1c(ncn2)NC(=O)C3CCOC3C
    )C; Cc1c([nH]c2c1c(ncn2)NC(=O)[C@@H]3CCO
    [C@@H]3C)C; CC1OCCC1C(=O)Nc1ncnc2[NH]c(C
    )c(C)c21; C[CH]1OCC[CH]1C(=O)Nc2ncnc3[nH
    ]c(C)c(C)c23    		 (2S,3S)-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-methyloxolane-3-carboxamide
    12696
    A1AJJ    		 1 C20 H16 F N5 O3 S InChI=1S/C20H16FN5O3S/c1-
    12-6-7-15(30(28,29)26-18-
    5-3-2-4-17(18)21)9-16(12)
    20(27)24-14-8-13-10-23-25
    -19(13)22-11-14/h2-11,26H
    ,1H3,(H,24,27)(H,22,23,25
    );
    UAVUILPKGNHMHK-UHFFFAOYSA-N    		 Fc1ccccc1NS(=O)(=O)c1cc(c(C)cc1)C(=O)Nc1
    cc2cn[NH]c2nc1; Cc1ccc(cc1C(=O)Nc2cc3cn[
    nH]c3nc2)S(=O)(=O)Nc4ccccc4F; Cc1ccc(cc1
    C(=O)Nc2cnc3[nH]ncc3c2)[S](=O)(=O)Nc4ccc
    cc4F    		 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
    12697
    A1AJK    		 1 C16 H18 N6 InChI=1S/C16H18N6/c1-11-2
    -6-17-14(21-11)12-4-8-22(
    9-5-12)16-13-3-7-18-15(13
    )19-10-20-16/h2-3,6-7,10,
    12H,4-5,8-9H2,1H3,(H,18,1
    9,20);
    VTUREHAHVQEMJU-UHFFFAOYSA-N    		 Cc1nc(ncc1)C1CCN(CC1)c1ncnc2[NH]ccc12; C
    c1ccnc(n1)C2CCN(CC2)c3c4cc[nH]c4ncn3; Cc
    1ccnc(n1)C2CCN(CC2)c3ncnc4[nH]ccc34    		 4-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
    12698
    A1AJL    		 1 C13 H14 N4 O4 InChI=1S/C13H14N4O4/c1-21
    -13(12(19)20)3-5-17(6-13)
    11(18)9-8-2-4-14-10(8)16-
    7-15-9/h2,4,7H,3,5-6H2,1H
    3,(H,19,20)(H,14,15,16)/t
    13-/m1/s1;
    YEFYXGDSKBIWST-CYBMUJFWSA-N    		 COC1(CCN(C1)C(=O)c2c3cc[nH]c3ncn2)C(=O)O
    ; CO[C]1(CCN(C1)C(=O)c2ncnc3[nH]ccc23)C(
    O)=O; CO[C@@]1(CCN(C1)C(=O)c2c3cc[nH]c3n
    cn2)C(=O)O; COC1(CCN(C1)C(=O)c1ncnc2[NH]
    ccc21)C(=O)O; CO[C@@]1(CCN(C1)C(=O)c2ncn
    c3[nH]ccc23)C(O)=O    		 (3R)-3-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyrrolidine-3-carboxylic acid
    12699
    A1AJM    		 2 C12 H15 F N2 O InChI=1S/C12H15FN2O/c13-1
    0-4-2-9(3-5-10)12(11(14)1
    6)6-1-7-15-8-12/h2-5,15H,
    1,6-8H2,(H2,14,16)/t12-/m
    1/s1;
    AQYHAXBZALQJNL-GFCCVEGCSA-N    		 O=C(N)C1(CCCNC1)c1ccc(F)cc1; NC(=O)[C]1(
    CCCNC1)c2ccc(F)cc2; c1cc(ccc1[C@]2(CCCNC
    2)C(=O)N)F; NC(=O)[C@@]1(CCCNC1)c2ccc(F)
    cc2; c1cc(ccc1C2(CCCNC2)C(=O)N)F    		 (3S)-3-(4-fluorophenyl)piperidine-3-carboxamide
    12700
    A1AJN    		 1 C11 H16 N2 InChI=1S/C11H16N2/c12-9-1
    1(6-2-3-7-11)10-5-1-4-8-1
    3-10/h1,4-5,8H,2-3,6-7,9,
    12H2;
    DQSRGJUPRBBWIV-UHFFFAOYSA-N    		 c1ccnc(c1)C2(CCCC2)CN; NCC1(CCCC1)c1cccc
    n1; NCC1(CCCC1)c2ccccn2    		 1-[1-(pyridin-2-yl)cyclopentyl]methanamine
    12701
    A1AJO    		 1 C6 H6 N4 S InChI=1S/C6H6N4S/c7-6-8-5
    (9-10-6)4-2-1-3-11-4/h1-3
    H,(H3,7,8,9,10);
    XMLRXJVRTGHHIJ-UHFFFAOYSA-N    		 Nc1nnc([NH]1)c1cccs1; c1cc(sc1)c2[nH]c(n
    n2)N; Nc1[nH]c(nn1)c2sccc2    		 5-(thiophen-2-yl)-4H-1,2,4-triazol-3-amine
    12702
    A1AJP    		 1 C8 H13 N3 InChI=1S/C8H13N3/c1-11(2)
    8-5-7(6-9)3-4-10-8/h3-5H,
    6,9H2,1-2H3;
    FVBLFJODKIHJMW-UHFFFAOYSA-N    		 CN(C)c1cc(CN)ccn1; CN(C)c1cc(ccn1)CN 4-(aminomethyl)-N,N-dimethylpyridin-2-amine
    12703
    A1AJQ    		 1 C13 H15 N3 InChI=1S/C13H15N3/c1-2-4-
    12-11(3-1)13(5-6-15-12)16
    -9-7-14-8-10-16/h1-6,14H,
    7-10H2;
    CGSWRHKBLLDUHO-UHFFFAOYSA-N    		 C1CN(CCN1)c2ccnc3ccccc23; c1ccc2c(c1)c(c
    cn2)N3CCNCC3; c1cc(c2ccccc2n1)N1CCNCC1    		 4-(piperazin-1-yl)quinoline
    12704
    A1AJR    		 6 C8 H10 N2 InChI=1S/C8H10N2/c1-3-7-8
    (9-5-1)4-2-6-10-7/h1,3,5,
    10H,2,4,6H2;
    OALXTMWCXNPUKJ-UHFFFAOYSA-N    		 C1CNc2cccnc2C1; c1cc2c(nc1)CCCN2; c1ccnc
    2CCCNc12    		 1,2,3,4-tetrahydro-1,5-naphthyridine
    12705
    A1AJS    		 2 C10 H12 N2 O InChI=1S/C10H12N2O/c13-9-
    4-7-12(8-5-9)10-3-1-2-6-1
    1-10/h1-3,6H,4-5,7-8H2;
    CSNJUQMJDHNKHI-UHFFFAOYSA-N    		 c1ccnc(c1)N2CCC(=O)CC2; O=C1CCN(CC1)c2cc
    ccn2; O=C1CCN(CC1)c1ncccc1    		 1-(pyridin-2-yl)piperidin-4-one
    12706
    A1AJT    		 1 C10 H16 N2 S InChI=1S/C10H16N2S/c1-8(6
    -11)12-4-2-10-9(7-12)3-5-
    13-10/h3,5,8H,2,4,6-7,11H
    2,1H3/t8-/m0/s1;
    MQKOIUAPLLHABT-QMMMGPOBSA-N    		 C[CH](CN)N1CCc2sccc2C1; C[C@H](CN)N1CCc2
    sccc2C1; C[C@@H](CN)N1CCc2c(ccs2)C1; CC(
    CN)N1CCc2c(ccs2)C1; CC(CN)N1CCc2sccc2C1    		 (2R)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-amine
    12707
    A1AJU    		 1 C5 H6 N2 InChI=1S/C5H6N2/c1-2-5-3-
    6-4-7-5/h2-4H,1H2,(H,6,7);
    MHQZDNQHLGFBRN-UHFFFAOYSA-N    		 C=Cc1c[nH]cn1; C=Cc1c[NH]cn1 4-ethenyl-1H-imidazole
    12708
    A1AJV    		 1 C7 H11 N2 InChI=1S/C7H11N2/c1-4-7-5
    -6-8(2)9(7)3/h4-6H,1H2,2-
    3H3/q+1;
    RGGYXESXCZRPIW-UHFFFAOYSA-N    		 C[n+]1ccc(C=C)n1C; Cn1c(cc[n+]1C)C=C; Cn
    1c(C=C)cc[n+]1C    		 3-ethenyl-1,2-dimethyl-pyrazole
    12709
    A1AJW    		 2 C11 H16 N4 O InChI=1S/C11H16N4O/c1-7(2
    )9(5-16)15-11-8-3-4-12-10
    (8)13-6-14-11/h3-4,6-7,9,
    16H,5H2,1-2H3,(H2,12,13,1
    4,15)/t9-/m0/s1;
    UQNGWKIAUTZMKI-VIFPVBQESA-N    		 CC(C)C(CO)Nc1c2cc[nH]c2ncn1; CC(C)[C@H](
    CO)Nc1c2cc[nH]c2ncn1; CC(C)[CH](CO)Nc1nc
    nc2[nH]ccc12; CC(C)[C@H](CO)Nc1ncnc2[nH]
    ccc12; CC(C)C(CO)Nc1ncnc2[NH]ccc21    		 (2R)-3-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
    12710
    A1AJX    		 1 C11 H15 N5 O InChI=1S/C11H15N5O/c1-6(2
    )8(9(12)17)16-11-7-3-4-13
    -10(7)14-5-15-11/h3-6,8H,
    1-2H3,(H2,12,17)(H2,13,14
    ,15,16)/t8-/m1/s1;
    RBCLNCQDYKLDOO-MRVPVSSYSA-N    		 CC(C)[C@@H](Nc1ncnc2[nH]ccc12)C(N)=O; CC
    (C)[CH](Nc1ncnc2[nH]ccc12)C(N)=O; NC(=O)
    C(Nc1ncnc2[NH]ccc21)C(C)C; CC(C)[C@H](C(
    =O)N)Nc1c2cc[nH]c2ncn1; CC(C)C(C(=O)N)Nc
    1c2cc[nH]c2ncn1    		 N~2~-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-valinamide
    12711
    A1AJY    		 1 C8 H10 N InChI=1S/C8H10N/c1-3-8-5-
    4-6-9(2)7-8/h3-7H,1H2,2H3
    /q+1;
    WVZHSQIASVAADH-UHFFFAOYSA-N    		 C[n+]1cccc(c1)C=C; C[n+]1cccc(C=C)c1 3-ethenyl-1-methyl-pyridine
    12712
    A1AJZ    		 4 C6 H10 N2 O2 InChI=1S/C6H10N2O2/c1-4-5
    (2-3-9)6(10)8-7-4/h9H,2-3
    H2,1H3,(H2,7,8,10);
    DJBJHPDVWKRAJB-UHFFFAOYSA-N    		 CC1=C(CCO)C(=O)NN1; OCCC=1C(=O)NNC=1C; C
    C1=C(C(=O)NN1)CCO    		 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
    12713
    A1AK0    		 6 C17 H16 N8 O2 InChI=1S/C17H16N8O2/c1-27
    -11-4-2-10(3-5-11)13(8-14
    -22-24-25-23-14)21-17(26)
    15-12-6-7-18-16(12)20-9-1
    9-15/h2-7,9,13H,8H2,1H3,(
    H,21,26)(H,18,19,20)(H,22
    ,23,24,25)/t13-/m1/s1;
    DMABAHOUGOIDPW-CYBMUJFWSA-N    		 COc1ccc(cc1)[C@@H](Cc2[nH]nnn2)NC(=O)c3n
    cnc4[nH]ccc34; COc1ccc(cc1)C(Cc2[nH]nnn2
    )NC(=O)c3c4cc[nH]c4ncn3; COc1ccc(cc1)[CH
    ](Cc2[nH]nnn2)NC(=O)c3ncnc4[nH]ccc34; CO
    c1ccc(cc1)C(NC(=O)c1ncnc2[NH]ccc21)Cc1nn
    n[NH]1; COc1ccc(cc1)[C@@H](Cc2[nH]nnn2)N
    C(=O)c3c4cc[nH]c4ncn3    		 N-[(1R)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
    12714
    A1AK1    		 1 C20 H23 N5 O3 InChI=1S/C20H23N5O3/c1-11
    (2)17(12-4-5-15-16(8-12)2
    8-7-6-27-15)25-19-13-9-14
    (20(26)21-3)24-18(13)22-1
    0-23-19/h4-5,8-11,17H,6-7
    H2,1-3H3,(H,21,26)(H2,22,
    23,24,25)/t17-/m0/s1;
    UZPCBHYJXPREOY-KRWDZBQOSA-N    		 CNC(=O)c1[nH]c2ncnc(N[CH](C(C)C)c3ccc4OC
    COc4c3)c2c1; CNC(=O)c1cc2c([NH]1)ncnc2NC
    (c1ccc2OCCOc2c1)C(C)C; CC(C)C(c1ccc2c(c1
    )OCCO2)Nc3c4cc([nH]c4ncn3)C(=O)NC; CC(C)
    [C@@H](c1ccc2c(c1)OCCO2)Nc3c4cc([nH]c4nc
    n3)C(=O)NC; CNC(=O)c1[nH]c2ncnc(N[C@@H](
    C(C)C)c3ccc4OCCOc4c3)c2c1    		 4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    12715
    A1AK2    		 2 C19 H22 N4 O2 S InChI=1S/C19H22N4O2S/c1-1
    2(2)17(23-19-15-7-8-20-18
    (15)21-11-22-19)14-6-5-13
    -4-3-9-26(24,25)16(13)10-
    14/h5-8,10-12,17H,3-4,9H2
    ,1-2H3,(H2,20,21,22,23)/t
    17-/m0/s1;
    WLJITGAGZLIWOY-KRWDZBQOSA-N    		 CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc[
    nH]c4ncn3; CC(C)C(Nc1ncnc2[NH]ccc21)c1cc
    c2CCCS(=O)(=O)c2c1; CC(C)[CH](Nc1ncnc2[n
    H]ccc12)c3ccc4CCC[S](=O)(=O)c4c3; CC(C)[
    C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc[n
    H]c4ncn3; CC(C)[C@H](Nc1ncnc2[nH]ccc12)c
    3ccc4CCC[S](=O)(=O)c4c3    		 7-{(1S)-2-methyl-1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12716
    A1AK3    		 1 C25 H32 N6 O3 S InChI=1S/C25H32N6O3S/c1-1
    5(2)22(17-7-6-16-5-4-10-3
    5(33,34)21(16)11-17)30-24
    -19-12-20(29-23(19)26-14-
    27-24)25(32)28-18-8-9-31(
    3)13-18/h6-7,11-12,14-15,
    18,22H,4-5,8-10,13H2,1-3H
    3,(H,28,32)(H2,26,27,29,3
    0)/t18-,22+/m1/s1;
    QEVYAPKJBMOYGR-GCJKJVERSA-N    		 CC(C)[C@H](Nc1ncnc2[nH]c(cc12)C(=O)N[C@H
    ]3CCN(C)C3)c4ccc5CCC[S](=O)(=O)c5c4; CC(
    C)[CH](Nc1ncnc2[nH]c(cc12)C(=O)N[CH]3CCN
    (C)C3)c4ccc5CCC[S](=O)(=O)c5c4; CC(C)[C@
    @H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH
    ]c4ncn3)C(=O)N[C@H]5CCN(C5)C; CC(C)C(c1c
    cc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3
    )C(=O)NC5CCN(C5)C; CN1CCC(C1)NC(=O)c1cc2
    c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C
    (C)C    		 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-[(3R)-1-methylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    12717
    A1AK4    		 1 C27 H29 N5 O3 S InChI=1S/C27H29N5O3S/c1-1
    6(2)24(19-10-9-17-8-5-11-
    36(34,35)23(17)13-19)32-2
    6-21-14-22(31-25(21)29-15
    -30-26)18-6-4-7-20(12-18)
    27(33)28-3/h4,6-7,9-10,12
    -16,24H,5,8,11H2,1-3H3,(H
    ,28,33)(H2,29,30,31,32)/t
    24-/m0/s1;
    BPNVAIFYCKUWBG-DEOSSOPVSA-N    		 CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3
    c4cc([nH]c4ncn3)c5cccc(c5)C(=O)NC; CNC(=
    O)c1cccc(c1)c2[nH]c3ncnc(N[CH](C(C)C)c4c
    cc5CCC[S](=O)(=O)c5c4)c3c2; CNC(=O)c1ccc
    c(c1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)
    (=O)c2c1)C(C)C; CC(C)C(c1ccc2c(c1)S(=O)(
    =O)CCC2)Nc3c4cc([nH]c4ncn3)c5cccc(c5)C(=
    O)NC; CNC(=O)c1cccc(c1)c2[nH]c3ncnc(N[C@
    @H](C(C)C)c4ccc5CCC[S](=O)(=O)c5c4)c3c2    		 (3M)-3-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-methylbenzamide
    12718
    A1AK5    		 1 C25 H29 N5 O3 S InChI=1S/C25H29N5O3S/c1-1
    5(2)23(17-7-6-16-5-4-8-34
    (31,32)22(16)10-17)30-25-
    20-11-21(29-24(20)27-14-2
    8-25)18-9-19(12-26-3)33-1
    3-18/h6-7,9-11,13-15,23,2
    6H,4-5,8,12H2,1-3H3,(H2,2
    7,28,29,30)/t23-/m0/s1;
    UGVZWXXZWQCKKX-QHCPKHFHSA-N    		 CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc(
    [nH]c4ncn3)c5cc(oc5)CNC; CNCc1occ(c1)c2[
    nH]c3ncnc(N[CH](C(C)C)c4ccc5CCC[S](=O)(=
    O)c5c4)c3c2; CC(C)[C@@H](c1ccc2c(c1)S(=O
    )(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5cc(oc5)CN
    C; CNCc1cc(co1)c1cc2c([NH]1)ncnc2NC(c1cc
    c2CCCS(=O)(=O)c2c1)C(C)C; CNCc1occ(c1)c2
    [nH]c3ncnc(N[C@@H](C(C)C)c4ccc5CCC[S](=O
    )(=O)c5c4)c3c2    		 7-[(1S)-2-methyl-1-{[(6M)-6-{5-[(methylamino)methyl]furan-3-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12719
    A1AK6    		 1 C24 H25 N7 O2 S InChI=1S/C24H25N7O2S/c1-1
    4(2)22(16-7-6-15-5-4-8-34
    (32,33)21(15)9-16)30-24-1
    7-10-19(29-23(17)26-13-27
    -24)18-12-28-31(3)20(18)1
    1-25/h6-7,9-10,12-14,22H,
    4-5,8H2,1-3H3,(H2,26,27,2
    9,30)/t22-/m0/s1;
    MYYOPRUFWDINOB-QFIPXVFZSA-N    		 CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3cnn(C)c3C
    #N)c4ccc5CCC[S](=O)(=O)c5c4; CC(C)[C@H](
    Nc1ncnc2[nH]c(cc12)c3cnn(C)c3C#N)c4ccc5C
    CC[S](=O)(=O)c5c4; CC(C)[C@@H](c1ccc2c(c
    1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5cnn
    (c5C#N)C; N#Cc1n(C)ncc1c1cc2c([NH]1)ncnc
    2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C; CC(C)C
    (c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4
    ncn3)c5cnn(c5C#N)C    		 (4M)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile
    12720
    A1AK7    		 1 C25 H29 N7 O3 S InChI=1S/C25H29N7O3S/c1-1
    5(2)23(17-7-6-16-5-4-8-36
    (34,35)21(16)9-17)31-25-1
    9-10-20(30-24(19)27-14-28
    -25)18-11-29-32(12-18)13-
    22(33)26-3/h6-7,9-12,14-1
    5,23H,4-5,8,13H2,1-3H3,(H
    ,26,33)(H2,27,28,30,31)/t
    23-/m0/s1;
    DSXQJBKPJALISD-QHCPKHFHSA-N    		 CNC(=O)Cn1cc(cn1)c2[nH]c3ncnc(N[CH](C(C)
    C)c4ccc5CCC[S](=O)(=O)c5c4)c3c2; CNC(=O)
    Cn1cc(cn1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCC
    S(=O)(=O)c2c1)C(C)C; CNC(=O)Cn1cc(cn1)c2
    [nH]c3ncnc(N[C@@H](C(C)C)c4ccc5CCC[S](=O
    )(=O)c5c4)c3c2; CC(C)[C@@H](c1ccc2c(c1)S
    (=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5cnn(c5
    )CC(=O)NC; CC(C)C(c1ccc2c(c1)S(=O)(=O)CC
    C2)Nc3c4cc([nH]c4ncn3)c5cnn(c5)CC(=O)NC    		 2-[(4M)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N-methylacetamide
    12721
    A1AK9    		 1 C13 H15 N3 O2 InChI=1S/C13H15N3O2/c1-17
    -11-4-2-9(3-5-11)13-15-12
    (16-18-13)10-6-7-14-8-10/
    h2-5,10,14H,6-8H2,1H3/t10
    -/m0/s1;
    LCPXGPRZJSMWFF-JTQLQIEISA-N    		 COc1ccc(cc1)c2onc(n2)[C@H]3CCNC3; COc1cc
    c(cc1)c2nc(no2)C3CCNC3; COc1ccc(cc1)c2nc
    (no2)[C@H]3CCNC3; COc1ccc(cc1)c2onc(n2)[
    CH]3CCNC3; COc1ccc(cc1)c1nc(no1)C1CNCC1    		 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
    12722
    A1AKA    		 3 C7 H11 N3 InChI=1S/C7H11N3/c1-6-4-9
    -10-3-2-8-5-7(6)10/h4,8H,
    2-3,5H2,1H3;
    GHWWEPXDSAHILS-UHFFFAOYSA-N    		 Cc1cnn2c1CNCC2; Cc1cnn2CCNCc12 (8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
    12723
    A1AKB    		 3 C7 H15 N3 O InChI=1S/C7H15N3O/c1-9(2)
    7(11)10-5-3-8-4-6-10/h8H,
    3-6H2,1-2H3;
    XMFYMWXCIWIHAC-UHFFFAOYSA-N    		 CN(C)C(=O)N1CCNCC1; O=C(N(C)C)N1CCNCC1 N,N-dimethylpiperazine-1-carboxamide
    12724
    A1AKC    		 1 C12 H10 F3 N3 O InChI=1S/C12H10F3N3O/c1-1
    8-7-8(6-16-18)17-11(19)9-
    4-2-3-5-10(9)12(13,14)15/
    h2-7H,1H3,(H,17,19);
    HJOQMJVPFXCEBV-UHFFFAOYSA-N    		 O=C(Nc1cn(C)nc1)c1ccccc1C(F)(F)F; Cn1cc(
    cn1)NC(=O)c2ccccc2C(F)(F)F; Cn1cc(NC(=O)
    c2ccccc2C(F)(F)F)cn1    		 N-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
    12725
    A1AKD    		 1 C13 H17 N5 O InChI=1S/C13H17N5O/c1-8(2
    )10-13(19)15-5-6-18(10)12
    -9-3-4-14-11(9)16-7-17-12
    /h3-4,7-8,10H,5-6H2,1-2H3
    ,(H,15,19)(H,14,16,17)/t1
    0-/m1/s1;
    CQFMTHKPYLBMFG-SNVBAGLBSA-N    		 CC(C)C1C(=O)NCCN1c2c3cc[nH]c3ncn2; CC(C)
    [CH]1N(CCNC1=O)c2ncnc3[nH]ccc23; CC(C)[C
    @H]1N(CCNC1=O)c2ncnc3[nH]ccc23; CC(C)C1C
    (=O)NCCN1c1ncnc2[NH]ccc12; CC(C)[C@@H]1C
    (=O)NCCN1c2c3cc[nH]c3ncn2    		 (3R)-3-(propan-2-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
    12726
    A1AKE    		 1 C17 H14 N4 O4 InChI=1S/C17H14N4O4/c22-1
    6(14-11-3-5-18-15(11)20-8
    -19-14)21-13(17(23)24)10-
    1-2-12-9(7-10)4-6-25-12/h
    1-3,5,7-8,13H,4,6H2,(H,21
    ,22)(H,23,24)(H,18,19,20);
    GWSVTAOVQPLNIX-UHFFFAOYSA-N    		 c1cc2c(cc1C(C(=O)O)NC(=O)c3c4cc[nH]c4ncn
    3)CCO2; c1cc2c(cc1[C@@H](C(=O)O)NC(=O)c3
    c4cc[nH]c4ncn3)CCO2; OC(=O)[C@@H](NC(=O)
    c1ncnc2[nH]ccc12)c3ccc4OCCc4c3; O=C(O)C(
    NC(=O)c1ncnc2[NH]ccc21)c1cc2CCOc2cc1; OC
    (=O)[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc4OC
    Cc4c3    		 (2R)-(2,3-dihydro-1-benzofuran-5-yl)[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]acetic acid
    12727
    A1AKF    		 1 C16 H13 F N4 O3 InChI=1S/C16H13FN4O3/c17-
    10-3-1-9(2-4-10)12(7-13(2
    2)23)21-16(24)14-11-5-6-1
    8-15(11)20-8-19-14/h1-6,8
    ,12H,7H2,(H,21,24)(H,22,2
    3)(H,18,19,20)/t12-/m1/s1;
    XQKDBXAKZGIFNS-GFCCVEGCSA-N    		 OC(=O)C[C@@H](NC(=O)c1ncnc2[nH]ccc12)c3c
    cc(F)cc3; c1cc(ccc1[C@@H](CC(=O)O)NC(=O)
    c2c3cc[nH]c3ncn2)F; Fc1ccc(cc1)C(CC(=O)O
    )NC(=O)c1ncnc2[NH]ccc12; OC(=O)C[CH](NC(
    =O)c1ncnc2[nH]ccc12)c3ccc(F)cc3; c1cc(cc
    c1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)F    		 (3R)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    12728
    A1AKG    		 1 C15 H13 N5 O3 InChI=1S/C15H13N5O3/c21-1
    2(22)7-11(9-1-4-16-5-2-9)
    20-15(23)13-10-3-6-17-14(
    10)19-8-18-13/h1-6,8,11H,
    7H2,(H,20,23)(H,21,22)(H,
    17,18,19)/t11-/m1/s1;
    HCKDZPDKIDVDLJ-LLVKDONJSA-N    		 c1c[nH]c2c1c(ncn2)C(=O)N[C@@H](CC(=O)O)c
    3ccncc3; c1c[nH]c2c1c(ncn2)C(=O)NC(CC(=O
    )O)c3ccncc3; OC(=O)C[CH](NC(=O)c1ncnc2[n
    H]ccc12)c3ccncc3; OC(=O)C[C@H](NC(=O)c1n
    cnc2[nH]ccc12)c3ccncc3; O=C(O)CC(NC(=O)c
    1ncnc2[NH]ccc12)c1ccncc1    		 (3R)-3-(pyridin-4-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    12729
    A1AKH    		 1 C17 H18 Br N3 O3 InChI=1S/C17H18BrN3O3/c1-
    21(2)13-7-8-14(19-10-13)1
    7(24)20-15(9-16(22)23)11-
    3-5-12(18)6-4-11/h3-8,10,
    15H,9H2,1-2H3,(H,20,24)(H
    ,22,23)/t15-/m1/s1;
    AIPFYHWZLYBABR-OAHLLOKOSA-N    		 CN(C)c1ccc(nc1)C(=O)N[C@@H](CC(O)=O)c2cc
    c(Br)cc2; CN(C)c1ccc(nc1)C(=O)NC(CC(=O)O
    )c2ccc(cc2)Br; CN(C)c1ccc(nc1)C(=O)N[CH]
    (CC(O)=O)c2ccc(Br)cc2; CN(C)c1ccc(nc1)C(
    =O)N[C@@H](CC(=O)O)c2ccc(cc2)Br; O=C(NC(
    CC(=O)O)c1ccc(Br)cc1)c1ccc(cn1)N(C)C    		 (3R)-3-(4-bromophenyl)-3-{[5-(dimethylamino)pyridine-2-carbonyl]amino}propanoic acid
    12730
    A1AKI    		 1 C17 H15 Br N4 O3 InChI=1S/C17H15BrN4O3/c1-
    22-16-13(9-20-22)12(6-7-1
    9-16)17(25)21-14(8-15(23)
    24)10-2-4-11(18)5-3-10/h2
    -7,9,14H,8H2,1H3,(H,21,25
    )(H,23,24)/t14-/m1/s1;
    HNXRGQKHEKNAON-CQSZACIVSA-N    		 Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ccnc2c1cnn
    2C; Cn1ncc2c(ccnc12)C(=O)N[CH](CC(O)=O)c
    3ccc(Br)cc3; Cn1ncc2c(ccnc12)C(=O)N[C@@H
    ](CC(O)=O)c3ccc(Br)cc3; Cn1c2c(cn1)c(ccn
    2)C(=O)NC(CC(=O)O)c3ccc(cc3)Br; Cn1c2c(c
    n1)c(ccn2)C(=O)N[C@@H](CC(=O)O)c3ccc(cc3
    )Br    		 (3R)-3-(4-bromophenyl)-3-[(1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
    12731
    A1AKL    		 1 C11 H17 N3 O S InChI=1S/C11H17N3OS/c1-9(
    15)13-11-12-7-10(16-11)8-
    14-5-3-2-4-6-14/h7H,2-6,8
    H2,1H3,(H,12,13,15);
    WQUWVCYQJKWKDB-UHFFFAOYSA-N    		 CC(=O)Nc1sc(CN2CCCCC2)cn1; O=C(C)Nc1ncc(
    CN2CCCCC2)s1; CC(=O)Nc1ncc(s1)CN2CCCCC2    		 N-{5-[(piperidin-1-yl)methyl]-1,3-thiazol-2-yl}acetamide
    12732
    A1AKM    		 2 C16 H22 F N5 O3 S InChI=1S/C16H22FN5O3S/c1-
    9-6-12(24-8-14-19-11(3)25
    -21-14)4-5-22(9)7-13-15(1
    7)20-16(26-13)18-10(2)23/
    h9,12H,4-8H2,1-3H3,(H,18,
    20,23)/t9-,12-/m0/s1;
    FRVXHWNHGWUTQO-CABZTGNLSA-N    		 Cc1nc(no1)CO[C@H]2CCN([C@H](C2)C)Cc3c(nc
    (s3)NC(=O)C)F; C[CH]1C[CH](CCN1Cc2sc(NC(
    C)=O)nc2F)OCc3noc(C)n3; C[C@H]1C[C@H](CC
    N1Cc2sc(NC(C)=O)nc2F)OCc3noc(C)n3; Cc1nc
    (no1)COC2CCN(C(C2)C)Cc3c(nc(s3)NC(=O)C)F
    ; Fc1nc(NC(=O)C)sc1CN1CCC(OCc2nc(C)on2)C
    C1C    		 N-[4-fluoro-5-({(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl}methyl)-1,3-thiazol-2-yl]acetamide
    12733
    A1AKN    		 1 C26 H22 Cl F3 N6 O3 S InChI=1S/C26H22ClF3N6O3S/
    c1-16(37)32-24(31)33-25(3
    5-40(38,39)21-13-9-19(10-
    14-21)26(28,29)30)36-15-2
    2(17-5-3-2-4-6-17)23(34-3
    6)18-7-11-20(27)12-8-18/h
    2-14,22H,15H2,1H3,(H3,31,
    32,33,35,37)/t22-/m1/s1;
    GYJPQNPVIJXXTA-JOCHJYFZSA-N    		 CC(=O)NC(=N)N=C(N[S](=O)(=O)c1ccc(cc1)C(
    F)(F)F)N2C[CH](c3ccccc3)C(=N2)c4ccc(Cl)c
    c4; [H]/N=C(/NC(=O)C)\N=C(\NS(=O)(=O)c1c
    cc(cc1)C(F)(F)F)/N2C[C@@H](C(=N2)c3ccc(c
    c3)Cl)c4ccccc4; CC(=O)NC(=N)N=C(N[S](=O)
    (=O)c1ccc(cc1)C(F)(F)F)N2C[C@H](c3ccccc3
    )C(=N2)c4ccc(Cl)cc4; O=S(=O)(N/C(=N/C(=N
    )NC(C)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc
    1)c1ccc(cc1)C(F)(F)F; CC(=O)NC(=N)N=C(NS
    (=O)(=O)c1ccc(cc1)C(F)(F)F)N2CC(C(=N2)c3
    ccc(cc3)Cl)c4ccccc4    		 N-(N-{(E)-[(4S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl][4-(trifluoromethyl)benzene-1-sulfonamido]methylidene}carbamimidoyl)acetamide
    12734
    A1AKO    		 1 C25 H21 Cl F3 N5 O2 S InChI=1S/C25H21ClF3N5O2S/
    c1-16(30)31-24(33-37(35,3
    6)21-13-9-19(10-14-21)25(
    27,28)29)34-15-22(17-5-3-
    2-4-6-17)23(32-34)18-7-11
    -20(26)12-8-18/h2-14,22H,
    15H2,1H3,(H2,30,31,33)/t2
    2-/m1/s1;
    NLXIJZHFEOSWPU-JOCHJYFZSA-N    		 O=S(=O)(N/C(=N/C(C)=N)N1CC(C(=N1)c1ccc(C
    l)cc1)c1ccccc1)c1ccc(cc1)C(F)(F)F; [H]/N
    =C(\C)/N=C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)
    N2C[C@@H](C(=N2)c3ccc(cc3)Cl)c4ccccc4; C
    C(=N)N=C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)N2
    CC(C(=N2)c3ccc(cc3)Cl)c4ccccc4; CC(=N)N=
    C(N[S](=O)(=O)c1ccc(cc1)C(F)(F)F)N2C[CH]
    (c3ccccc3)C(=N2)c4ccc(Cl)cc4; CC(=N)N=C(
    N[S](=O)(=O)c1ccc(cc1)C(F)(F)F)N2C[C@H](
    c3ccccc3)C(=N2)c4ccc(Cl)cc4    		 (4S)-3-(4-chlorophenyl)-N'-[(1E)-ethanimidoyl]-4-phenyl-N-[4-(trifluoromethyl)benzene-1-sulfonyl]-4,5-dihydro-1H-pyrazole-1-carboximidamide
    12735
    A1AKP    		 1 C17 H14 Br N3 O3 InChI=1S/C17H14BrN3O3/c18
    -11-3-1-10(2-4-11)15(9-16
    (22)23)21-17(24)14-6-5-12
    -13(20-14)7-8-19-12/h1-8,
    15,19H,9H2,(H,21,24)(H,22
    ,23)/t15-/m1/s1;
    RPRLEBLWBSIJBD-OAHLLOKOSA-N    		 OC(=O)C[C@@H](NC(=O)c1ccc2[nH]ccc2n1)c3c
    cc(Br)cc3; Brc1ccc(cc1)C(CC(=O)O)NC(=O)c
    1ccc2[NH]ccc2n1; c1cc(ccc1C(CC(=O)O)NC(=
    O)c2ccc3c(n2)cc[nH]3)Br; c1cc(ccc1[C@@H]
    (CC(=O)O)NC(=O)c2ccc3c(n2)cc[nH]3)Br; OC
    (=O)C[CH](NC(=O)c1ccc2[nH]ccc2n1)c3ccc(B
    r)cc3    		 (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[3,2-b]pyridine-5-carbonyl)amino]propanoic acid
    12736
    A1AKQ    		 1 C17 H14 Br N3 O3 InChI=1S/C17H14BrN3O3/c18
    -13-3-1-10(2-4-13)14(8-15
    (22)23)21-17(24)12-7-11-5
    -6-19-16(11)20-9-12/h1-7,
    9,14H,8H2,(H,19,20)(H,21,
    24)(H,22,23)/t14-/m1/s1;
    QCHNMSZXYHCZMN-CQSZACIVSA-N    		 Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1cc2cc[NH]c
    2nc1; c1cc(ccc1C(CC(=O)O)NC(=O)c2cc3cc[n
    H]c3nc2)Br; c1cc(ccc1[C@H](CC(=O)O)NC(=O
    )c2cc3cc[nH]c3nc2)Br; OC(=O)C[CH](NC(=O)
    c1cnc2[nH]ccc2c1)c3ccc(Br)cc3; OC(=O)C[C
    @H](NC(=O)c1cnc2[nH]ccc2c1)c3ccc(Br)cc3    		 (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)amino]propanoic acid
    12737
    A1AKR    		 1 C20 H19 N5 O4 InChI=1S/C20H19N5O4/c1-25
    -16(19(27)28)15(14-3-2-10
    -21-17(14)25)24-18(26)11-
    4-6-12(7-5-11)22-20(29)23
    -13-8-9-13/h2-7,10,13H,8-
    9H2,1H3,(H,24,26)(H,27,28
    )(H2,22,23,29);
    KIFMKXWFBOXZHD-UHFFFAOYSA-N    		 O=C(NC1CC1)Nc1ccc(cc1)C(=O)Nc1c2cccnc2n(
    C)c1C(=O)O; Cn1c(c(c2c1nccc2)NC(=O)c3ccc
    (cc3)NC(=O)NC4CC4)C(=O)O; Cn1c2ncccc2c(N
    C(=O)c3ccc(NC(=O)NC4CC4)cc3)c1C(O)=O    		 3-[4-(cyclopropylcarbamamido)benzamido]-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
    12738
    A1AKS    		 1 C16 H14 N4 O4 InChI=1S/C16H14N4O4/c21-1
    6(22)13(9-1-2-11-12(7-9)2
    4-6-5-23-11)20-15-10-3-4-
    17-14(10)18-8-19-15/h1-4,
    7-8,13H,5-6H2,(H,21,22)(H
    2,17,18,19,20);
    FHHVXLFEHODNRQ-UHFFFAOYSA-N    		 OC(=O)[C@@H](Nc1ncnc2[nH]ccc12)c3ccc4OCC
    Oc4c3; O=C(O)C(Nc1ncnc2[NH]ccc21)c1ccc2O
    CCOc2c1; c1cc2c(cc1C(C(=O)O)Nc3c4cc[nH]c
    4ncn3)OCCO2; c1cc2c(cc1[C@@H](C(=O)O)Nc3
    c4cc[nH]c4ncn3)OCCO2; OC(=O)[CH](Nc1ncnc
    2[nH]ccc12)c3ccc4OCCOc4c3    		 (2R)-(2,3-dihydro-1,4-benzodioxin-6-yl)[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetic acid
    12739
    A1AKT    		 1 C11 H14 N4 O2 InChI=1S/C11H14N4O2/c1-6(
    2)8(11(16)17)15-10-7-3-4-
    12-9(7)13-5-14-10/h3-6,8H
    ,1-2H3,(H,16,17)(H2,12,13
    ,14,15)/t8-/m1/s1;
    JDFXIEGECAJIPV-MRVPVSSYSA-N    		 CC(C)[CH](Nc1ncnc2[nH]ccc12)C(O)=O; CC(C
    )C(C(=O)O)Nc1c2cc[nH]c2ncn1; O=C(O)C(Nc1
    ncnc2[NH]ccc21)C(C)C; CC(C)[C@H](C(=O)O)
    Nc1c2cc[nH]c2ncn1; CC(C)[C@@H](Nc1ncnc2[
    nH]ccc12)C(O)=O    		 N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-valine
    12740
    A1AKU    		 1 C11 H12 N4 O3 InChI=1S/C11H12N4O3/c16-6
    -3-8(11(17)18)15(4-6)10-7
    -1-2-12-9(7)13-5-14-10/h1
    -2,5-6,8,16H,3-4H2,(H,17,
    18)(H,12,13,14)/t6-,8-/m0
    /s1;
    NYPLSKIXLZGUBU-XPUUQOCRSA-N    		 c1c[nH]c2c1c(ncn2)N3C[C@@H](C[C@@H]3C(=O
    )O)O; c1c[nH]c2c1c(ncn2)N3CC(CC3C(=O)O)O
    ; O[C@@H]1C[C@@H](N(C1)c2ncnc3[nH]ccc23)
    C(O)=O; O=C(O)C1CC(O)CN1c1ncnc2[NH]ccc12
    ; O[CH]1C[CH](N(C1)c2ncnc3[nH]ccc23)C(O)
    =O    		 (4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline
    12741
    A1AKV    		 2 C12 H14 N4 O2 InChI=1S/C12H14N4O2/c17-1
    2(18)9(5-7-1-2-7)16-11-8-
    3-4-13-10(8)14-6-15-11/h3
    -4,6-7,9H,1-2,5H2,(H,17,1
    8)(H2,13,14,15,16);
    HLKVRUDJSKGFAD-UHFFFAOYSA-N    		 c1c[nH]c2c1c(ncn2)NC(CC3CC3)C(=O)O; OC(=
    O)[C@H](CC1CC1)Nc2ncnc3[nH]ccc23; O=C(O)
    C(CC1CC1)Nc1ncnc2[NH]ccc21; c1c[nH]c2c1c
    (ncn2)N[C@@H](CC3CC3)C(=O)O; OC(=O)[CH](
    CC1CC1)Nc2ncnc3[nH]ccc23    		 3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine
    12742
    A1AKZ    		 1 C17 H17 N5 O5 S InChI=1S/C17H17N5O5S/c1-2
    8(26,27)22-11-4-2-3-10(7-
    11)13(8-14(23)24)21-17(25
    )15-12-5-6-18-16(12)20-9-
    19-15/h2-7,9,13,22H,8H2,1
    H3,(H,21,25)(H,23,24)(H,1
    8,19,20)/t13-/m0/s1;
    SSZRKFQGEKLBHY-ZDUSSCGKSA-N    		 C[S](=O)(=O)Nc1cccc(c1)[CH](CC(O)=O)NC(=
    O)c2ncnc3[nH]ccc23; CS(=O)(=O)Nc1cccc(c1
    )C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12; CS(=O
    )(=O)Nc1cccc(c1)C(CC(=O)O)NC(=O)c2c3cc[n
    H]c3ncn2; CS(=O)(=O)Nc1cccc(c1)[C@@H](CC
    (=O)O)NC(=O)c2c3cc[nH]c3ncn2; C[S](=O)(=
    O)Nc1cccc(c1)[C@@H](CC(O)=O)NC(=O)c2ncnc
    3[nH]ccc23    		 (3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    12743
    A1AL0    		 1 C14 H18 N6 InChI=1S/C14H18N6/c1-9(2)
    12(10-6-18-20(3)7-10)19-1
    4-11-4-5-15-13(11)16-8-17
    -14/h4-9,12H,1-3H3,(H2,15
    ,16,17,19)/t12-/m0/s1;
    LBBFMTWSULDMQR-LBPRGKRZSA-N    		 CC(C)C(c1cnn(c1)C)Nc2c3cc[nH]c3ncn2; CC(
    C)[C@@H](c1cnn(c1)C)Nc2c3cc[nH]c3ncn2; C
    C(C)[C@H](Nc1ncnc2[nH]ccc12)c3cnn(C)c3;
    CC(C)[CH](Nc1ncnc2[nH]ccc12)c3cnn(C)c3;
    Cn1cc(cn1)C(Nc1ncnc2[NH]ccc12)C(C)C    		 N-[(1S)-2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    12744
    A1AL1    		 1 C17 H21 Cl N4 O2 S InChI=1S/C17H21ClN4O2S/c1
    -10(2)15(22-17-14(18)16(1
    9)20-9-21-17)12-6-5-11-4-
    3-7-25(23,24)13(11)8-12/h
    5-6,8-10,15H,3-4,7H2,1-2H
    3,(H3,19,20,21,22)/t15-/m
    0/s1;
    JQPBTWZBAYATTH-HNNXBMFYSA-N    		 CC(C)C(Nc1ncnc(N)c1Cl)c1ccc2CCCS(=O)(=O)
    c2c1; CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc
    3c(c(ncn3)N)Cl; CC(C)[C@@H](c1ccc2c(c1)S
    (=O)(=O)CCC2)Nc3c(c(ncn3)N)Cl; CC(C)[C@H
    ](Nc1ncnc(N)c1Cl)c2ccc3CCC[S](=O)(=O)c3c
    2; CC(C)[CH](Nc1ncnc(N)c1Cl)c2ccc3CCC[S]
    (=O)(=O)c3c2    		 7-{(1S)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-methylpropyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12745
    A1AL2    		 4 C6 H9 N O5 S InChI=1S/C6H9NO5S/c8-5(9)
    3-4(6(10)11)13-2-1-7-12/h
    1,4,12H,2-3H2,(H,8,9)(H,1
    0,11)/b7-1-/t4-/m1/s1;
    QOSDLCYIAHKDCK-AMNQULHDSA-N    		 ON=CCS[CH](CC(O)=O)C(O)=O; OC(=O)CC(SC/C
    =N\O)C(=O)O; C(C=NO)SC(CC(=O)O)C(=O)O; O
    \N=C/CS[C@H](CC(O)=O)C(O)=O; C(/C=N\O)S[
    C@H](CC(=O)O)C(=O)O    		 (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid
    12746
    A1AL3    		 1 C30 H35 N5 O4 InChI=1S/C30H35N5O4/c36-3
    0(29-6-2-16-39-29)35-12-1
    0-34(11-13-35)22-24-20-23
    (25-4-1-5-27-26(25)21-31-
    32-27)7-8-28(24)38-17-3-9
    -33-14-18-37-19-15-33/h1-
    2,4-8,16,20-21H,3,9-15,17
    -19,22H2,(H,31,32);
    SAFWOFNFKMPJAO-UHFFFAOYSA-N    		 O=C(c1ccco1)N1CCN(CC1)Cc1cc(ccc1OCCCN1CC
    OCC1)c1cccc2[NH]ncc21; c1cc(c2cn[nH]c2c1
    )c3ccc(c(c3)CN4CCN(CC4)C(=O)c5ccco5)OCCC
    N6CCOCC6; O=C(N1CCN(CC1)Cc2cc(ccc2OCCCN3
    CCOCC3)c4cccc5[nH]ncc45)c6occc6    		 (furan-2-yl)[4-({(5P)-5-(1H-indazol-4-yl)-2-[3-(morpholin-4-yl)propoxy]phenyl}methyl)piperazin-1-yl]methanone
    12747
    A1AL4    		 1 C18 H18 N8 O2 InChI=1S/C18H18N8O2/c1-10
    (16-23-25-26-24-16)14(11-
    3-5-12(28-2)6-4-11)22-18(
    27)15-13-7-8-19-17(13)21-
    9-20-15/h3-10,14H,1-2H3,(
    H,22,27)(H,19,20,21)(H,23
    ,24,25,26)/t10-,14-/m0/s1;
    FNXGHSXJKMURIQ-HZMBPMFUSA-N    		 C[C@H](c1[nH]nnn1)[C@H](c2ccc(cc2)OC)NC(
    =O)c3c4cc[nH]c4ncn3; COc1ccc(cc1)[CH](NC
    (=O)c2ncnc3[nH]ccc23)[CH](C)c4[nH]nnn4;
    COc1ccc(cc1)C(NC(=O)c1ncnc2[NH]ccc21)C(C
    )c1nnn[NH]1; CC(c1[nH]nnn1)C(c2ccc(cc2)O
    C)NC(=O)c3c4cc[nH]c4ncn3; COc1ccc(cc1)[C
    @H](NC(=O)c2ncnc3[nH]ccc23)[C@H](C)c4[nH
    ]nnn4    		 N-[(1S,2S)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
    12748
    A1AL5    		 1 C21 H25 N5 O3 S InChI=1S/C21H25N5O3S/c1-1
    2(2)18(14-7-6-13-5-4-8-30
    (28,29)17(13)9-14)26-20-1
    5-10-16(21(27)22-3)25-19(
    15)23-11-24-20/h6-7,9-12,
    18H,4-5,8H2,1-3H3,(H,22,2
    7)(H2,23,24,25,26)/t18-/m
    0/s1;
    HBSNGOMIXYUKLX-SFHVURJKSA-N    		 CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3
    c4cc([nH]c4ncn3)C(=O)NC; CNC(=O)c1[nH]c2
    ncnc(N[CH](C(C)C)c3ccc4CCC[S](=O)(=O)c4c
    3)c2c1; CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)
    Nc3c4cc([nH]c4ncn3)C(=O)NC; CNC(=O)c1[nH
    ]c2ncnc(N[C@@H](C(C)C)c3ccc4CCC[S](=O)(=
    O)c4c3)c2c1; CNC(=O)c1cc2c([NH]1)ncnc2NC
    (c1ccc2CCCS(=O)(=O)c2c1)C(C)C    		 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    12749
    A1AL6    		 2 C22 H21 N9 O2 InChI=1S/C22H21N9O2/c1-11
    (2)19(14-4-5-17-22(27-14)
    29-18(32)9-33-17)30-21-12
    -6-15(28-20(12)24-10-25-2
    1)13-8-26-31(3)16(13)7-23
    /h4-6,8,10-11,19H,9H2,1-3
    H3,(H,27,29,32)(H2,24,25,
    28,30)/t19-/m0/s1;
    PDMCJXOQSPIIAD-IBGZPJMESA-N    		 CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3cnn(C)c3C
    #N)c4ccc5OCC(=O)Nc5n4; CC(C)C(c1ccc2c(n1
    )NC(=O)CO2)Nc3c4cc([nH]c4ncn3)c5cnn(c5C#
    N)C; CC(C)[C@@H](c1ccc2c(n1)NC(=O)CO2)Nc
    3c4cc([nH]c4ncn3)c5cnn(c5C#N)C; N#Cc1n(C
    )ncc1c1cc2c([NH]1)ncnc2NC(c1ccc2OCC(=O)N
    c2n1)C(C)C; CC(C)[C@H](Nc1ncnc2[nH]c(cc1
    2)c3cnn(C)c3C#N)c4ccc5OCC(=O)Nc5n4    		 (4M)-1-methyl-4-(4-{[(1R)-2-methyl-1-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile
    12750
    A1AL7    		 4 C25 H29 N7 O3 InChI=1S/C25H29N7O3/c1-15
    (2)23(16-5-6-20-21(9-16)3
    5-8-7-34-20)30-25-18-10-1
    9(29-24(18)26-14-27-25)17
    -11-28-32(12-17)13-22(33)
    31(3)4/h5-6,9-12,14-15,23
    H,7-8,13H2,1-4H3,(H2,26,2
    7,29,30)/t23-/m0/s1;
    AUYUXKUHCFEGAY-QHCPKHFHSA-N    		 CC(C)[C@@H](c1ccc2c(c1)OCCO2)Nc3c4cc([nH
    ]c4ncn3)c5cnn(c5)CC(=O)N(C)C; CC(C)[CH](
    Nc1ncnc2[nH]c(cc12)c3cnn(CC(=O)N(C)C)c3)
    c4ccc5OCCOc5c4; CN(C)C(=O)Cn1cc(cn1)c1cc
    2c([NH]1)ncnc2NC(c1ccc2OCCOc2c1)C(C)C; C
    C(C)C(c1ccc2c(c1)OCCO2)Nc3c4cc([nH]c4ncn
    3)c5cnn(c5)CC(=O)N(C)C; CC(C)[C@H](Nc1nc
    nc2[nH]c(cc12)c3cnn(CC(=O)N(C)C)c3)c4ccc
    5OCCOc5c4    		 2-[(4P)-4-(4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide
    12751
    A1ALA    		 1 C8 H8 N2 InChI=1S/C8H8N2/c9-7-2-1-
    6-3-4-10-8(6)5-7/h1-5,10H
    ,9H2;
    MIMYTSWNVBMNRH-UHFFFAOYSA-N    		 Nc1ccc2cc[nH]c2c1; Nc1ccc2cc[NH]c2c1; c1
    cc(cc2c1cc[nH]2)N    		 1H-indol-6-amine
    12752
    A1ALB    		 1 C12 H9 N3 O InChI=1S/C12H9N3O/c13-9-4
    -1-3-8(7-9)12-15-11-10(16
    -12)5-2-6-14-11/h1-7H,13H
    2;
    HKWQPWPKROMXCJ-UHFFFAOYSA-N    		 Nc1cccc(c1)c2oc3cccnc3n2; c1cc(cc(c1)N)c
    2nc3c(o2)cccn3; Nc1cccc(c1)c1nc2ncccc2o1    		 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
    12753
    A1ALE    		 0 C9 H18 N2 O3 InChI=1S/C9H18N2O3/c1-11(
    2)8(12)6-4-3-5-7(10)9(13)
    14/h7H,3-6,10H2,1-2H3,(H,
    13,14)/t7-/m0/s1;
    PZGZIGICAVVNEB-ZETCQYMHSA-N    		 CN(C)C(=O)CCCCC(C(=O)O)N; NC(CCCCC(=O)N(
    C)C)C(=O)O; CN(C)C(=O)CCCC[CH](N)C(O)=O;
    CN(C)C(=O)CCCC[C@H](N)C(O)=O; CN(C)C(=O
    )CCCC[C@@H](C(=O)O)N    		 (2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid
    12754
    A1ALI    		 15 C41 H32 N6 O29 S8 InChI=1S/C41H32N6O29S8/c4
    8-37(44-29-5-1-25(77(53,5
    4)55)15-33(29)81(65,66)67
    )19-9-20(38(49)45-30-6-2-
    26(78(56,57)58)16-34(30)8
    2(68,69)70)12-23(11-19)42
    -41(52)43-24-13-21(39(50)
    46-31-7-3-27(79(59,60)61)
    17-35(31)83(71,72)73)10-2
    2(14-24)40(51)47-32-8-4-2
    8(80(62,63)64)18-36(32)84
    (74,75)76/h1-18H,(H,44,48
    )(H,45,49)(H,46,50)(H,47,
    51)(H2,42,43,52)(H,53,54,
    55)(H,56,57,58)(H,59,60,6
    1)(H,62,63,64)(H,65,66,67
    )(H,68,69,70)(H,71,72,73)
    (H,74,75,76);
    FXAIVMYRMNONEG-UHFFFAOYSA-N    		 O[S](=O)(=O)c1ccc(NC(=O)c2cc(NC(=O)Nc3cc
    (cc(c3)C(=O)Nc4ccc(cc4[S](O)(=O)=O)[S](O
    )(=O)=O)C(=O)Nc5ccc(cc5[S](O)(=O)=O)[S](
    O)(=O)=O)cc(c2)C(=O)Nc6ccc(cc6[S](O)(=O)
    =O)[S](O)(=O)=O)c(c1)[S](O)(=O)=O; c1cc(
    c(cc1S(=O)(=O)O)S(=O)(=O)O)NC(=O)c2cc(cc
    (c2)NC(=O)Nc3cc(cc(c3)C(=O)Nc4ccc(cc4S(=
    O)(=O)O)S(=O)(=O)O)C(=O)Nc5ccc(cc5S(=O)(
    =O)O)S(=O)(=O)O)C(=O)Nc6ccc(cc6S(=O)(=O)
    O)S(=O)(=O)O; O=S(=O)(O)c1ccc(NC(=O)c2cc
    (cc(c2)C(=O)Nc2ccc(cc2S(=O)(=O)O)S(=O)(=
    O)O)NC(=O)Nc2cc(cc(c2)C(=O)Nc2ccc(cc2S(O
    )(=O)=O)S(=O)(=O)O)C(=O)Nc2ccc(cc2S(=O)(
    =O)O)S(=O)(=O)O)c(c1)S(=O)(=O)O    		 4,4',4'',4'''-{carbonylbis[azanediylbenzene-5,1,3-triylbis(carbonylazanediyl)]}tetra(benzene-1,3-disulfonic acid)
    12755
    A1ALJ    		 1 C27 H41 B F2 N2 O4 InChI=1S/C27H41BF2N2O4/c1
    -19-15-21(3)31-26(19)24(2
    7-20(2)16-22(4)32(27)28(3
    1,29)30)13-11-9-7-5-6-8-1
    0-12-14-25(35)36-18-23(34
    )17-33/h15-16,23,33-34H,5
    -14,17-18H2,1-4H3/t23-/m0
    /s1;
    MYLJZUQNPWUJDF-QHCPKHFHSA-N    		 Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3
    =C2CCCCCCCCCCC(=O)OC[CH](O)CO; B1(n2c(cc
    (c2C(=C3[N]1=C(C=C3C)C)CCCCCCCCCCC(=O)OC
    C(CO)O)C)C)(F)F; B1(n2c(cc(c2C(=C3[N]1=C
    (C=C3C)C)CCCCCCCCCCC(=O)OC[C@H](CO)O)C)C
    )(F)F; Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C
    =C(C)C3=C2CCCCCCCCCCC(=O)OC[C@@H](O)CO    		 1-[11-(dipyrrometheneboron difluoride)undecanoyl]-rac-glycerol;
    [(2~{S})-2,3-bis(oxidanyl)propyl] 11-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1$l^{4},3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]undecanoate
    12756
    A1ALQ    		 1 C23 H24 N8 O2 InChI=1S/C23H24N8O2/c1-23
    (2,3)19(15-5-6-18-22(29-1
    5)33-8-7-32-18)30-21-13-9
    -16(28-20(13)25-12-26-21)
    14-11-27-31(4)17(14)10-24
    /h5-6,9,11-12,19H,7-8H2,1
    -4H3,(H2,25,26,28,30)/t19
    -/m1/s1;
    YUIKWGNWDHJBJA-LJQANCHMSA-N    		 Cn1ncc(c2[nH]c3ncnc(N[CH](c4ccc5OCCOc5n4
    )C(C)(C)C)c3c2)c1C#N; Cn1ncc(c2[nH]c3ncn
    c(N[C@H](c4ccc5OCCOc5n4)C(C)(C)C)c3c2)c1
    C#N; CC(C)(C)C(c1ccc2c(n1)OCCO2)Nc3c4cc(
    [nH]c4ncn3)c5cnn(c5C#N)C; CC(C)(C)[C@@H]
    (c1ccc2c(n1)OCCO2)Nc3c4cc([nH]c4ncn3)c5c
    nn(c5C#N)C; N#Cc1n(C)ncc1c1cc2c([NH]1)nc
    nc2NC(c1ccc2OCCOc2n1)C(C)(C)C    		 (4M)-4-(4-{[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2,2-dimethylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile
    12757
    A1ALR    		 1 C22 H25 N7 O2 S InChI=1S/C22H25N7O2S/c1-1
    3(2)20(15-5-4-14-6-7-26-3
    2(30,31)19(14)8-15)28-22-
    17-9-18(16-10-25-29(3)11-
    16)27-21(17)23-12-24-22/h
    4-5,8-13,20,26H,6-7H2,1-3
    H3,(H2,23,24,27,28)/t20-/
    m0/s1;
    QVUKXGBFXJCECS-FQEVSTJZSA-N    		 Cn1cc(cn1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCN
    S(=O)(=O)c2c1)C(C)C; CC(C)C(c1ccc2c(c1)S
    (=O)(=O)NCC2)Nc3c4cc([nH]c4ncn3)c5cnn(c5
    )C; CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3cnn(C
    )c3)c4ccc5CCN[S](=O)(=O)c5c4; CC(C)[C@@H
    ](c1ccc2c(c1)S(=O)(=O)NCC2)Nc3c4cc([nH]c
    4ncn3)c5cnn(c5)C; CC(C)[C@H](Nc1ncnc2[nH
    ]c(cc12)c3cnn(C)c3)c4ccc5CCN[S](=O)(=O)c
    5c4    		 7-[(1S)-2-methyl-1-{[(6M)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione
    12758
    A1ALS    		 1 C14 H20 N4 S InChI=1S/C14H20N4S/c1-9(2
    )12(11-4-3-7-19-11)18-14-
    10-5-6-15-13(10)16-8-17-1
    4/h5-6,8-9,12,19H,3-4,7H2
    ,1-2H3,(H2,15,16,17,18)/t
    12-/m0/s1;
    CSWDEIWTSLDYRE-LBPRGKRZSA-N    		 CC(C)[CH](Nc1ncnc2[nH]ccc12)C3=[SH]CCC3;
    CC(C)[C@H](Nc1ncnc2[nH]ccc12)C3=[SH]CCC
    3; CC(C)C(C1=SCCC1)Nc2c3cc[nH]c3ncn2; CC
    (C)[C@@H](C1=SCCC1)Nc2c3cc[nH]c3ncn2; CC
    (C)C(Nc1ncnc2[NH]ccc12)C=1CCCS=1    		 N-[(1S)-1-(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)-2-methylpropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    12759
    A1ALT    		 1 C41 H43 Cl2 N5 O6 InChI=1S/C41H43Cl2N5O6/c1
    -20-15-25(16-21(2)35(20)4
    3)54-14-10-11-26-27-12-13
    -29(42)34(33-23(4)44-46(7
    )24(33)5)37(27)48-22(3)19
    -47(40(49)38(26)48)30-18-
    32(52-8)39(53-9)28-17-31(
    41(50)51)45(6)36(28)30/h1
    2-13,15-18,22H,10-11,14,1
    9H2,1-9H3,(H,50,51)/t22-/
    m1/s1;
    SWDOUSXHOCDXNI-JOCHJYFZSA-N    		 Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O
    )N(CC4C)c5cc(c(c6c5n(c(c6)C(=O)O)C)OC)OC
    )c7c(nn(c7C)C)C)Cl; COc1cc(N2C[CH](C)n3c
    (C2=O)c(CCCOc4cc(C)c(Cl)c(C)c4)c5ccc(Cl)
    c(c35)c6c(C)nn(C)c6C)c7n(C)c(cc7c1OC)C(O
    )=O; Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c
    2C(=O)N(C[C@H]4C)c5cc(c(c6c5n(c(c6)C(=O)
    O)C)OC)OC)c7c(nn(c7C)C)C)Cl; Cc1nn(C)c(C
    )c1c1c(Cl)ccc2c1n1C(C)CN(c3cc(OC)c(OC)c4
    cc(C(=O)O)n(C)c43)C(=O)c1c2CCCOc1cc(C)c(
    Cl)c(C)c1; COc1cc(N2C[C@@H](C)n3c(C2=O)c
    (CCCOc4cc(C)c(Cl)c(C)c4)c5ccc(Cl)c(c35)c
    6c(C)nn(C)c6C)c7n(C)c(cc7c1OC)C(O)=O    		 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid
    12760
    A1ALY    		 1 C11 H14 F2 N4 InChI=1S/C11H14F2N4/c1-6(
    2)8(9(12)13)17-11-7-3-4-1
    4-10(7)15-5-16-11/h3-6,8-
    9H,1-2H3,(H2,14,15,16,17)
    /t8-/m1/s1;
    GXLCUYJXVMTDDX-MRVPVSSYSA-N    		 CC(C)[C@H](C(F)F)Nc1c2cc[nH]c2ncn1; CC(C
    )C(C(F)F)Nc1c2cc[nH]c2ncn1; CC(C)[C@@H](
    Nc1ncnc2[nH]ccc12)C(F)F; CC(C)C(Nc1ncnc2
    [NH]ccc21)C(F)F; CC(C)[CH](Nc1ncnc2[nH]c
    cc12)C(F)F    		 N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    12761
    A1AM0    		 1 C10 H14 N2 O3 InChI=1S/C10H14N2O3/c1-7-
    4-9(15-12-7)10(13)11-5-8-
    2-3-14-6-8/h4,8H,2-3,5-6H
    2,1H3,(H,11,13)/t8-/m1/s1;
    VMYFKAZPRAZUQC-MRVPVSSYSA-N    		 O=C(NCC1CCOC1)c1cc(C)no1; Cc1cc(on1)C(=O
    )NCC2CCOC2; Cc1cc(on1)C(=O)NC[CH]2CCOC2;
    Cc1cc(on1)C(=O)NC[C@H]2CCOC2    		 3-methyl-N-{[(3R)-oxolan-3-yl]methyl}-1,2-oxazole-5-carboxamide
    12762
    A1AM1    		 5 C10 H16 N4 O InChI=1S/C10H16N4O/c1-2-1
    0(15)11-7-9-13-12-8-5-3-4
    -6-14(8)9/h2-7H2,1H3,(H,1
    1,15);
    IOOTXFHTMOUUHM-UHFFFAOYSA-N    		 CCC(=O)NCc1nnc2n1CCCC2; CCC(=O)NCc1nnc2C
    CCCn12    		 N-{[(4R)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}propanamide
    12763
    A1AM2    		 2 C60 H63 Cl2 F6 N9 O10 InChI=1S/C60H63Cl2F6N9O10
    /c1-34-32-77(33-35(2)76(3
    4)3)52-12-6-36(26-51(52)7
    5-58(82)42-30-73-55(80)28
    -44(42)60(66,67)68)41-24-
    38(5-9-46(41)63)57(81)71-
    15-17-85-19-21-87-23-22-8
    6-20-18-84-16-14-70-54(79
    )13-11-49-56(40-8-7-39(61
    )27-48(40)65)43(31-72-49)
    59(83)74-50(29-53(69)78)3
    7-4-10-47(64)45(62)25-37/
    h4-13,24-28,30-31,34-35,5
    0,72H,14-23,29,32-33H2,1-
    3H3,(H2,69,78)(H,70,79)(H
    ,71,81)(H,73,80)(H,74,83)
    (H,75,82)/b13-11-/t34-,35
    +,50-/m0/s1;
    GSAYJJSBWPSRLK-KXTAGSPYSA-N    		 C[CH]1CN(C[CH](C)N1C)c2ccc(cc2NC(=O)C3=C
    NC(=O)C=C3C(F)(F)F)c4cc(ccc4F)C(=O)NCCOC
    COCCOCCOCCNC(=O)C=Cc5[nH]cc(C(=O)N[CH](C
    C(N)=O)c6ccc(F)c(Cl)c6)c5c7ccc(Cl)cc7F;
    CC1CN(CC(N1C)C)c2ccc(cc2NC(=O)C3=CNC(=O)
    C=C3C(F)(F)F)c4cc(ccc4F)C(=O)NCCOCCOCCOC
    COCCNC(=O)C=Cc5c(c(c[nH]5)C(=O)NC(CC(=O)
    N)c6ccc(c(c6)Cl)F)c7ccc(cc7F)Cl; C[C@@H]
    1CN(C[C@H](C)N1C)c2ccc(cc2NC(=O)C3=CNC(=
    O)C=C3C(F)(F)F)c4cc(ccc4F)C(=O)NCCOCCOCC
    OCCOCCNC(=O)/C=C/c5[nH]cc(C(=O)N[C@@H](C
    C(N)=O)c6ccc(F)c(Cl)c6)c5c7ccc(Cl)cc7F;
    C[C@@H]1CN(C[C@@H](N1C)C)c2ccc(cc2NC(=O)
    C3=CNC(=O)C=C3C(F)(F)F)c4cc(ccc4F)C(=O)N
    CCOCCOCCOCCOCCNC(=O)/C=C/c5c(c(c[nH]5)C(
    =O)N[C@@H](CC(=O)N)c6ccc(c(c6)Cl)F)c7ccc
    (cc7F)Cl; Fc1ccc(cc1Cl)C(CC(N)=O)NC(=O)c
    1c[NH]c(/C=C/C(=O)NCCOCCOCCOCCOCCNC(=O)c
    2cc(c(F)cc2)c2ccc(N3CC(C)N(C)C(C)C3)c(NC
    (=O)C3=CNC(=O)C=C3C(F)(F)F)c2)c1c1ccc(Cl
    )cc1F    		 N-{(1P)-5'-({(17E)-18-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-16-oxo-3,6,9,12-tetraoxa-15-azaoctadec-17-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide;
    OICR-40333
    12764
    A1AM3    		 1 C11 H13 N3 InChI=1S/C11H13N3/c1-14-8
    -7-11(13-14)12-9-10-5-3-2
    -4-6-10/h2-8H,9H2,1H3,(H,
    12,13);
    SNURKZHBZPONJX-UHFFFAOYSA-N    		 Cn1ccc(NCc2ccccc2)n1; Cn1ccc(n1)NCc2cccc
    c2    		 N-benzyl-1-methyl-1H-pyrazol-3-amine
    12765
    A1AM4    		 3 C8 H10 N2 O S InChI=1S/C8H10N2OS/c1-11-
    7-5-3-2-4-6(7)10-8(9)12/h
    2-5H,1H3,(H3,9,10,12);
    HXCHZMHFZXNFIX-UHFFFAOYSA-N    		 COc1ccccc1NC(N)=S; COc1ccccc1NC(=S)N N-(2-methoxyphenyl)thiourea
    12766
    A1AM5    		 1 C9 H10 F3 N InChI=1S/C9H10F3N/c1-13-6
    -7-2-4-8(5-3-7)9(10,11)12
    /h2-5,13H,6H2,1H3;
    YMSMEZAYZIYFGA-UHFFFAOYSA-N    		 CNCc1ccc(cc1)C(F)(F)F N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
    12767
    A1AM6    		 3 C11 H18 N4 InChI=1S/C11H18N4/c1-10(2
    )14-6-8-15(9-7-14)11-12-4
    -3-5-13-11/h3-5,10H,6-9H2
    ,1-2H3;
    JMSBGUKOMZSBMF-UHFFFAOYSA-N    		 CC(C)N1CCN(CC1)c2ncccn2; CC(C)N1CCN(CC1)
    c1ncccn1    		 2-[4-(propan-2-yl)piperazin-1-yl]pyrimidine
    12768
    A1AM7    		 3 C6 H8 N2 O2 InChI=1S/C6H8N2O2/c9-4-3-
    8-5-7-2-1-6(8)10/h1-2,5,9
    H,3-4H2;
    HFZYCRPBIIVEAW-UHFFFAOYSA-N    		 OCCN1C=NC=CC1=O; C1=CN=CN(C1=O)CCO 3-(2-hydroxyethyl)pyrimidin-4(3H)-one
    12769
    A1AM8    		 2 C7 H8 N2 O2 InChI=1S/C7H8N2O2/c1-11-7
    (10)5-2-3-9-4-6(5)8/h2-4H
    ,8H2,1H3;
    XLQIGLBALJNHKR-UHFFFAOYSA-N    		 Nc1cnccc1C(=O)OC; COC(=O)c1ccncc1N methyl 3-aminopyridine-4-carboxylate
    12770
    A1AM9    		 2 C11 H12 F N O2 InChI=1S/C11H12FNO2/c1-13
    -6-5-10(11(13)14)15-9-4-2
    -3-8(12)7-9/h2-4,7,10H,5-
    6H2,1H3/t10-/m1/s1;
    JWLJWMCLUCDWSD-SNVBAGLBSA-N    		 CN1CC[C@@H](Oc2cccc(F)c2)C1=O; CN1CC[C@H
    ](C1=O)Oc2cccc(c2)F; CN1CCC(Oc2cc(F)ccc2
    )C1=O; CN1CCC(C1=O)Oc2cccc(c2)F; CN1CC[C
    H](Oc2cccc(F)c2)C1=O    		 (3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one
    12771
    A1AMD    		 2 C22 H22 N8 O2 InChI=1S/C22H22N8O2/c1-12
    (2)19(15-4-5-18-22(28-15)
    32-7-6-31-18)29-21-13-8-1
    6(27-20(13)24-11-25-21)14
    -10-26-30(3)17(14)9-23/h4
    -5,8,10-12,19H,6-7H2,1-3H
    3,(H2,24,25,27,29)/t19-/m
    0/s1;
    TVKAXNHJIVHZSG-IBGZPJMESA-N    		 CC(C)C(c1ccc2c(n1)OCCO2)Nc3c4cc([nH]c4nc
    n3)c5cnn(c5C#N)C; CC(C)[C@@H](c1ccc2c(n1
    )OCCO2)Nc3c4cc([nH]c4ncn3)c5cnn(c5C#N)C;
    N#Cc1n(C)ncc1c1cc2c([NH]1)ncnc2NC(c1ccc
    2OCCOc2n1)C(C)C; CC(C)[CH](Nc1ncnc2[nH]c
    (cc12)c3cnn(C)c3C#N)c4ccc5OCCOc5n4; CC(C
    )[C@H](Nc1ncnc2[nH]c(cc12)c3cnn(C)c3C#N)
    c4ccc5OCCOc5n4    		 (4M)-4-(4-{[(1R)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile
    12772
    A1AME    		 2 C22 H27 N5 O3 S InChI=1S/C22H27N5O3S/c1-4
    -23-22(28)17-11-16-20(26-
    17)24-12-25-21(16)27-19(1
    3(2)3)15-8-7-14-6-5-9-31(
    29,30)18(14)10-15/h7-8,10
    -13,19H,4-6,9H2,1-3H3,(H,
    23,28)(H2,24,25,26,27)/t1
    9-/m0/s1;
    SRSXSDDZUYKSCU-IBGZPJMESA-N    		 CCNC(=O)c1[nH]c2ncnc(N[CH](C(C)C)c3ccc4C
    CC[S](=O)(=O)c4c3)c2c1; CCNC(=O)c1cc2c([
    nH]1)ncnc2N[C@H](c3ccc4c(c3)S(=O)(=O)CCC
    4)C(C)C; CCNC(=O)c1cc2c([NH]1)ncnc2NC(c1
    ccc2CCCS(=O)(=O)c2c1)C(C)C; CCNC(=O)c1[n
    H]c2ncnc(N[C@@H](C(C)C)c3ccc4CCC[S](=O)(
    =O)c4c3)c2c1; CCNC(=O)c1cc2c([nH]1)ncnc2
    NC(c3ccc4c(c3)S(=O)(=O)CCC4)C(C)C    		 4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    12773
    A1AMF    		 2 C21 H25 N5 O3 S InChI=1S/C21H25N5O3S/c1-1
    2(2)18(14-7-6-13-5-4-8-30
    (28,29)16(13)9-14)26-20-1
    7-15(21(27)22-3)10-23-19(
    17)24-11-25-20/h6-7,9-12,
    18H,4-5,8H2,1-3H3,(H,22,2
    7)(H2,23,24,25,26)/t18-/m
    0/s1;
    LMYQGHQMPJKOQI-SFHVURJKSA-N    		 CNC(=O)c1c[NH]c2ncnc(NC(c3ccc4CCCS(=O)(=
    O)c4c3)C(C)C)c12; CNC(=O)c1c[nH]c2ncnc(N
    [C@@H](C(C)C)c3ccc4CCC[S](=O)(=O)c4c3)c1
    2; CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)
    Nc3c4c(c[nH]c4ncn3)C(=O)NC; CNC(=O)c1c[n
    H]c2ncnc(N[CH](C(C)C)c3ccc4CCC[S](=O)(=O
    )c4c3)c12; CC(C)C(c1ccc2c(c1)S(=O)(=O)CC
    C2)Nc3c4c(c[nH]c4ncn3)C(=O)NC    		 4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
    12774
    A1AMG    		 2 C23 H27 N5 O3 S InChI=1S/C23H27N5O3S/c1-1
    3(2)20(15-6-5-14-4-3-9-32
    (30,31)18(14)10-15)28-22-
    19-17(23(29)27-16-7-8-16)
    11-24-21(19)25-12-26-22/h
    5-6,10-13,16,20H,3-4,7-9H
    2,1-2H3,(H,27,29)(H2,24,2
    5,26,28)/t20-/m0/s1;
    FGTMEWMCYMGHFR-FQEVSTJZSA-N    		 CC(C)[C@H](Nc1ncnc2[nH]cc(C(=O)NC3CC3)c1
    2)c4ccc5CCC[S](=O)(=O)c5c4; CC(C)[CH](Nc
    1ncnc2[nH]cc(C(=O)NC3CC3)c12)c4ccc5CCC[S
    ](=O)(=O)c5c4; CC(C)C(Nc1ncnc2[NH]cc(C(=
    O)NC3CC3)c21)c1ccc2CCCS(=O)(=O)c2c1; CC(
    C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4c
    (c[nH]c4ncn3)C(=O)NC5CC5; CC(C)C(c1ccc2c
    (c1)S(=O)(=O)CCC2)Nc3c4c(c[nH]c4ncn3)C(=
    O)NC5CC5    		 N-cyclopropyl-4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
    12775
    A1AMI    		 2 C18 H22 N4 O2 S InChI=1S/C18H22N4O2S/c1-1
    1(2)16(22-18-13-5-6-19-17
    (13)20-10-21-18)12-3-4-14
    -15(9-12)25(23)8-7-24-14/
    h3-4,9-11,16H,5-8H2,1-2H3
    ,(H2,19,20,21,22)/t16?,25
    -/m0/s1;
    FJVNBBKEGGOLRS-JIKORUOASA-N    		 CC(C)[C@H](Nc1ncnc2NCCc12)c3ccc4OCC[S@](
    =O)c4c3; CC(C)[C@@H](c1ccc2c(c1)[S@@](=O
    )CCO2)Nc3c4c(ncn3)NCC4; CC(C)[CH](Nc1ncn
    c2NCCc12)c3ccc4OCC[S](=O)c4c3; CC(C)C(c1
    ccc2c(c1)S(=O)CCO2)Nc3c4c(ncn3)NCC4; CC(
    C)C(Nc1ncnc2NCCc21)c1ccc2OCCS(=O)c2c1    		 (4S)-6-{(1S)-1-[(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-methylpropyl}-2,3-dihydro-4H-1,4lambda~4~-benzoxathiin-4-one
    12776
    A1AMJ    		 2 C22 H25 N7 O2 InChI=1S/C22H25N7O2/c1-5-
    23-21(30)17-9-15-19(27-17
    )24-10-25-20(15)28-18(12(
    2)3)13-6-7-16-14(8-13)22(
    31)29(4)11-26-16/h6-12,18
    H,5H2,1-4H3,(H,23,30)(H2,
    24,25,27,28)/t18-/m0/s1;
    QSOWSMQWVSSXPN-SFHVURJKSA-N    		 CCNC(=O)c1cc2c([nH]1)ncnc2NC(c3ccc4c(c3)
    C(=O)N(C=N4)C)C(C)C; CCNC(=O)c1cc2c([NH]
    1)ncnc2NC(c1ccc2N=CN(C)C(=O)c2c1)C(C)C;
    CCNC(=O)c1cc2c([nH]1)ncnc2N[C@H](c3ccc4c
    (c3)C(=O)N(C=N4)C)C(C)C; CCNC(=O)c1[nH]c
    2ncnc(N[C@@H](C(C)C)c3ccc4N=CN(C)C(=O)c4
    c3)c2c1; CCNC(=O)c1[nH]c2ncnc(N[CH](C(C)
    C)c3ccc4N=CN(C)C(=O)c4c3)c2c1    		 N-ethyl-4-{[(1S)-2-methyl-1-(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    12777
    A1AMK    		 1 C21 H25 N5 O4 S InChI=1S/C21H25N5O4S/c1-4
    -22-21(27)15-10-14-19(25-
    15)23-11-24-20(14)26-18(1
    2(2)3)13-5-6-16-17(9-13)3
    1(28,29)8-7-30-16/h5-6,9-
    12,18H,4,7-8H2,1-3H3,(H,2
    2,27)(H2,23,24,25,26)/t18
    -/m1/s1;
    DVKLXYXMGYYPLI-GOSISDBHSA-N    		 CCNC(=O)c1[nH]c2ncnc(N[C@@H](C(C)C)c3ccc
    4OCC[S](=O)(=O)c4c3)c2c1; CCNC(=O)c1cc2c
    ([nH]1)ncnc2NC(c3ccc4c(c3)S(=O)(=O)CCO4)
    C(C)C; CCNC(=O)c1[nH]c2ncnc(N[CH](C(C)C)
    c3ccc4OCC[S](=O)(=O)c4c3)c2c1; CCNC(=O)c
    1cc2c([NH]1)ncnc2NC(c1ccc2OCCS(=O)(=O)c2
    c1)C(C)C; CCNC(=O)c1cc2c([nH]1)ncnc2N[C@
    H](c3ccc4c(c3)S(=O)(=O)CCO4)C(C)C    		 4-{[(1R)-1-(4,4-dioxo-3,4-dihydro-2H-1,4lambda~6~-benzoxathiin-6-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    12778
    A1AML    		 2 C18 H20 N4 O3 S InChI=1S/C18H20N4O3S/c1-1
    1(2)16(22-18-13-5-6-19-17
    (13)20-10-21-18)12-3-4-14
    -15(9-12)26(23,24)8-7-25-
    14/h3-6,9-11,16H,7-8H2,1-
    2H3,(H2,19,20,21,22)/t16-
    /m0/s1;
    CZXKHZZOXXFNSF-INIZCTEOSA-N    		 CC(C)C(c1ccc2c(c1)S(=O)(=O)CCO2)Nc3c4cc[
    nH]c4ncn3; CC(C)[CH](Nc1ncnc2[nH]ccc12)c
    3ccc4OCC[S](=O)(=O)c4c3; CC(C)[C@@H](c1c
    cc2c(c1)S(=O)(=O)CCO2)Nc3c4cc[nH]c4ncn3;
    CC(C)[C@H](Nc1ncnc2[nH]ccc12)c3ccc4OCC[
    S](=O)(=O)c4c3; CC(C)C(Nc1ncnc2[NH]ccc21
    )c1ccc2OCCS(=O)(=O)c2c1    		 6-{(1S)-2-methyl-1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl}-2,3-dihydro-4H-1,4lambda~6~-benzoxathiine-4,4-dione
    12779
    A1AMM    		 0 C16 H17 N O2 InChI=1S/C16H17NO2/c17-15
    (16(18)19)11-14-8-6-13(7-
    9-14)10-12-4-2-1-3-5-12/h
    1-9,15H,10-11,17H2,(H,18,
    19)/t15-/m0/s1;
    FLAYVDDDWHBOIP-HNNXBMFYSA-N    		 c1ccc(cc1)Cc2ccc(cc2)CC(C(=O)O)N; N[C@@H
    ](Cc1ccc(Cc2ccccc2)cc1)C(O)=O; c1ccc(cc1
    )Cc2ccc(cc2)C[C@@H](C(=O)O)N; NC(Cc1ccc(
    cc1)Cc1ccccc1)C(=O)O; N[CH](Cc1ccc(Cc2cc
    ccc2)cc1)C(O)=O    		 4-benzyl-L-phenylalanine
    12780
    A1AMN    		 1 C19 H36 N5 O10 P InChI=1S/C19H36N5O10P/c1-
    12(2)15(24-11-25)17(29)23
    -9-14(27)21-8-7-20-13(26)
    5-6-22-18(30)16(28)19(3,4
    )10-34-35(31,32)33/h11-12
    ,15-16,28H,5-10H2,1-4H3,(
    H,20,26)(H,21,27)(H,22,30
    )(H,23,29)(H,24,25)(H2,31
    ,32,33)/t15-,16-/m0/s1;
    GDYWXJHQLCXGCW-HOTGVXAUSA-N    		 CC(C)C(C(=O)NCC(=O)NCCNC(=O)CCNC(=O)C(C(
    C)(C)COP(=O)(O)O)O)NC=O; CC(C)[CH](NC=O)
    C(=O)NCC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)
    (C)CO[P](O)(O)=O; O=P(O)(O)OCC(C)(C)C(O)
    C(=O)NCCC(=O)NCCNC(=O)CNC(=O)C(NC=O)C(C)
    C; CC(C)[C@@H](C(=O)NCC(=O)NCCNC(=O)CCNC
    (=O)[C@@H](C(C)(C)COP(=O)(O)O)O)NC=O; CC
    (C)[C@H](NC=O)C(=O)NCC(=O)NCCNC(=O)CCNC(
    =O)[C@H](O)C(C)(C)CO[P](O)(O)=O    		 N-formyl-L-valyl-N-[2-({N-[(2S)-2-hydroxy-4-{[(S)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]glycinamide
    12781
    A1AMO    		 1 C13 H27 N4 O8 P InChI=1S/C13H27N4O8P/c1-1
    3(2,8-25-26(22,23)24)11(2
    0)12(21)17-4-3-9(18)15-5-
    6-16-10(19)7-14/h11,20H,3
    -8,14H2,1-2H3,(H,15,18)(H
    ,16,19)(H,17,21)(H2,22,23
    ,24);
    ZCWBBGZAVLIBIM-UHFFFAOYSA-N    		 CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)
    NCCNC(=O)CN; O=P(O)(O)OCC(C)(C)C(O)C(=O)
    NCCC(=O)NCCNC(=O)CN; CC(C)(COP(=O)(O)O)[
    C@H](C(=O)NCCC(=O)NCCNC(=O)CN)O; CC(C)(C
    O[P](O)(O)=O)[C@H](O)C(=O)NCCC(=O)NCCNC(
    =O)CN; CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)
    NCCNC(=O)CN)O    		 N-[2-(glycylamino)ethyl]-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
    12782
    A1AMP    		 1 C21 H26 N6 O3 S InChI=1S/C21H26N6O3S/c1-4
    -22-21(28)16-10-15-19(26-
    16)23-11-24-20(15)27-18(1
    2(2)3)14-6-5-13-7-8-25-31
    (29,30)17(13)9-14/h5-6,9-
    12,18,25H,4,7-8H2,1-3H3,(
    H,22,28)(H2,23,24,26,27)/
    t18-/m0/s1;
    YEZOZCAEAOEUES-SFHVURJKSA-N    		 CCNC(=O)c1cc2c([nH]1)ncnc2N[C@H](c3ccc4c
    (c3)S(=O)(=O)NCC4)C(C)C; CCNC(=O)c1[nH]c
    2ncnc(N[CH](C(C)C)c3ccc4CCN[S](=O)(=O)c4
    c3)c2c1; CCNC(=O)c1[nH]c2ncnc(N[C@@H](C(
    C)C)c3ccc4CCN[S](=O)(=O)c4c3)c2c1; CCNC(
    =O)c1cc2c([nH]1)ncnc2NC(c3ccc4c(c3)S(=O)
    (=O)NCC4)C(C)C; CCNC(=O)c1cc2c([NH]1)ncn
    c2NC(c1ccc2CCNS(=O)(=O)c2c1)C(C)C    		 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazin-7-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    12783
    A1AMQ    		 2 C22 H25 N5 O3 S InChI=1S/C22H25N5O3S/c1-2
    -23-22(28)17-11-16-20(26-
    17)24-12-25-21(16)27-19(1
    4-6-7-14)15-8-5-13-4-3-9-
    31(29,30)18(13)10-15/h5,8
    ,10-12,14,19H,2-4,6-7,9H2
    ,1H3,(H,23,28)(H2,24,25,2
    6,27)/t19-/m0/s1;
    KIBMZTJZRSOFFA-IBGZPJMESA-N    		 CCNC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(
    =O)(=O)c2c1)C1CC1; CCNC(=O)c1[nH]c2ncnc(
    N[C@@H](C3CC3)c4ccc5CCC[S](=O)(=O)c5c4)c
    2c1; CCNC(=O)c1cc2c([nH]1)ncnc2NC(c3ccc4
    c(c3)S(=O)(=O)CCC4)C5CC5; CCNC(=O)c1[nH]
    c2ncnc(N[CH](C3CC3)c4ccc5CCC[S](=O)(=O)c
    5c4)c2c1; CCNC(=O)c1cc2c([nH]1)ncnc2N[C@
    H](c3ccc4c(c3)S(=O)(=O)CCC4)C5CC5    		 4-{[(S)-cyclopropyl(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)methyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    12784
    A1AMR    		 2 C24 H27 N7 O3 S InChI=1S/C24H27N7O3S/c1-1
    4(2)22(16-6-5-15-4-3-7-35
    (33,34)20(15)8-16)30-24-1
    8-9-19(29-23(18)26-13-27-
    24)17-10-28-31(11-17)12-2
    1(25)32/h5-6,8-11,13-14,2
    2H,3-4,7,12H2,1-2H3,(H2,2
    5,32)(H2,26,27,29,30);
    LDPYAKYDXGPUOB-UHFFFAOYSA-N    		 CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3
    c4cc([nH]c4ncn3)c5cnn(c5)CC(=O)N; CC(C)[
    C@H](Nc1ncnc2[nH]c(cc12)c3cnn(CC(N)=O)c3
    )c4ccc5CCC[S](=O)(=O)c5c4; CC(C)[CH](Nc1
    ncnc2[nH]c(cc12)c3cnn(CC(N)=O)c3)c4ccc5C
    CC[S](=O)(=O)c5c4; NC(=O)Cn1cc(cn1)c1cc2
    c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C
    (C)C; CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc
    3c4cc([nH]c4ncn3)c5cnn(c5)CC(=O)N    		 2-[(4P)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]acetamide
    12785
    A1AMS    		 2 C26 H26 N6 O2 S InChI=1S/C26H26N6O2S/c1-1
    6(2)24(18-6-5-17-4-3-9-35
    (33,34)23(17)10-18)31-26-
    21-11-22(30-25(21)28-14-2
    9-26)19-7-8-20-12-27-15-3
    2(20)13-19/h5-8,10-16,24H
    ,3-4,9H2,1-2H3,(H2,28,29,
    30,31)/t24-/m0/s1;
    SFTQLUJYJDDIEI-DEOSSOPVSA-N    		 CC(C)C(Nc1ncnc2[NH]c(cc21)c1ccc2cncn2c1)
    c1ccc2CCCS(=O)(=O)c2c1; CC(C)[C@@H](c1cc
    c2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)
    c5ccc6cncn6c5; CC(C)C(c1ccc2c(c1)S(=O)(=
    O)CCC2)Nc3c4cc([nH]c4ncn3)c5ccc6cncn6c5;
    CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3ccc4cncn
    4c3)c5ccc6CCC[S](=O)(=O)c6c5; CC(C)[C@H]
    (Nc1ncnc2[nH]c(cc12)c3ccc4cncn4c3)c5ccc6
    CCC[S](=O)(=O)c6c5    		 7-[(1R)-1-({(6M)-6-[(4R)-imidazo[1,5-a]pyridin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12786
    A1AMT    		 1 C18 H21 N5 O2 S InChI=1S/C18H21N5O2S/c1-1
    1(2)15(23-18-16-17(20-9-1
    9-16)21-10-22-18)13-6-5-1
    2-4-3-7-26(24,25)14(12)8-
    13/h5-6,8-11,15H,3-4,7H2,
    1-2H3,(H2,19,20,21,22,23)
    /t15-/m0/s1;
    AFWXUUKRKMPOIZ-HNNXBMFYSA-N    		 CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3
    c4c([nH]cn4)ncn3; CC(C)[CH](Nc1ncnc2[nH]
    cnc12)c3ccc4CCC[S](=O)(=O)c4c3; CC(C)[C@
    H](Nc1ncnc2[nH]cnc12)c3ccc4CCC[S](=O)(=O
    )c4c3; CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)N
    c3c4c([nH]cn4)ncn3; CC(C)C(Nc1ncnc2[NH]c
    nc21)c1ccc2CCCS(=O)(=O)c2c1    		 7-{(1S)-2-methyl-1-[(9H-purin-6-yl)amino]propyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12787
    A1AMU    		 5 C17 H15 Br N4 O3 InChI=1S/C17H15BrN4O3/c1-
    9(17(24)25)13(10-2-4-11(1
    8)5-3-10)22-16(23)14-12-6
    -7-19-15(12)21-8-20-14/h2
    -9,13H,1H3,(H,22,23)(H,24
    ,25)(H,19,20,21)/t9-,13-/
    m0/s1;
    BBYUVETWVSEHPK-ZANVPECISA-N    		 CC(C(c1ccc(cc1)Br)NC(=O)c2c3cc[nH]c3ncn2
    )C(=O)O; C[C@@H]([C@@H](NC(=O)c1ncnc2[nH
    ]ccc12)c3ccc(Br)cc3)C(O)=O; O=C(O)C(C)C(
    NC(=O)c1ncnc2[NH]ccc12)c1ccc(Br)cc1; C[C
    @@H]([C@H](c1ccc(cc1)Br)NC(=O)c2c3cc[nH]
    c3ncn2)C(=O)O; C[CH]([CH](NC(=O)c1ncnc2[
    nH]ccc12)c3ccc(Br)cc3)C(O)=O    		 (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    12788
    A1AMV    		 2 C18 H23 N7 O InChI=1S/C18H23N7O/c1-4-2
    0-18(26)13-8-12-16(24-13)
    22-9-23-17(12)25-15(10(2)
    3)11-5-6-21-14(19)7-11/h5
    -10,15H,4H2,1-3H3,(H2,19,
    21)(H,20,26)(H2,22,23,24,
    25)/t15-/m0/s1;
    MUAFTXQYDRWOBC-HNNXBMFYSA-N    		 CCNC(=O)c1cc2c([nH]1)ncnc2NC(c3ccnc(c3)N
    )C(C)C; Nc1nccc(c1)C(Nc1ncnc2[NH]c(cc21)
    C(=O)NCC)C(C)C; CCNC(=O)c1[nH]c2ncnc(N[C
    H](C(C)C)c3ccnc(N)c3)c2c1; CCNC(=O)c1cc2
    c([nH]1)ncnc2N[C@H](c3ccnc(c3)N)C(C)C; C
    CNC(=O)c1[nH]c2ncnc(N[C@@H](C(C)C)c3ccnc
    (N)c3)c2c1    		 4-{[(1S)-1-(2-aminopyridin-4-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    12789
    A1AMW    		 1 C25 H27 N5 O3 S InChI=1S/C25H27N5O3S/c1-1
    5(2)23(18-7-6-16-5-4-10-3
    4(32,33)21(16)11-18)29-25
    -19-13-20(28-24(19)26-14-
    27-25)17-8-9-30(3)22(31)1
    2-17/h6-9,11-15,23H,4-5,1
    0H2,1-3H3,(H2,26,27,28,29
    )/t23-/m1/s1;
    BRVOBKORRXYCQP-HSZRJFAPSA-N    		 CC(C)[C@H](Nc1ncnc2[nH]c(cc12)C3=CC(=O)N
    (C)C=C3)c4ccc5CCC[S](=O)(=O)c5c4; CC(C)C
    (c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4
    ncn3)C5=CC(=O)N(C=C5)C; CC(C)[C@@H](c1cc
    c2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)
    C5=CC(=O)N(C=C5)C; O=C1C=C(C=CN1C)c1cc2c
    ([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(
    C)C; CC(C)[CH](Nc1ncnc2[nH]c(cc12)C3=CC(
    =O)N(C)C=C3)c4ccc5CCC[S](=O)(=O)c5c4    		 7-[(1R)-2-methyl-1-{[(6M)-6-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12790
    A1AMX    		 2 C8 H18 N2 O3 S InChI=1S/C8H18N2O3S/c1-4-
    8-7-10(5-6-13-8)14(11,12)
    9(2)3/h8H,4-7H2,1-3H3/t8-
    /m1/s1;
    YVFXOSQSQHCMKO-MRVPVSSYSA-N    		 CC[C@@H]1CN(CCO1)S(=O)(=O)N(C)C; O=S(=O)
    (N1CC(CC)OCC1)N(C)C; CC[CH]1CN(CCO1)[S](
    =O)(=O)N(C)C; CC[C@@H]1CN(CCO1)[S](=O)(=
    O)N(C)C; CCC1CN(CCO1)S(=O)(=O)N(C)C    		 (2R)-2-ethyl-N,N-dimethylmorpholine-4-sulfonamide
    12791
    A1AMY    		 1 C12 H16 F N O InChI=1S/C12H16FNO/c13-12
    -4-2-1-3-10(12)9-14-11-5-
    7-15-8-6-11/h1-4,11,14H,5
    -9H2;
    VJDVDWXYFZNXLH-UHFFFAOYSA-N    		 Fc1ccccc1CNC2CCOCC2; Fc1ccccc1CNC1CCOCC1
    ; c1ccc(c(c1)CNC2CCOCC2)F    		 N-[(2-fluorophenyl)methyl]oxan-4-amine
    12792
    A1AMZ    		 4 C6 H6 N4 O2 S InChI=1S/C6H6N4O2S/c7-13(
    11,12)6-4-8-5-2-1-3-9-10(
    5)6/h1-4H,(H2,7,11,12);
    BZFKHPWXOXGGCH-UHFFFAOYSA-N    		 c1cc2ncc(n2nc1)S(=O)(=O)N; N[S](=O)(=O)c
    1cnc2cccnn12; NS(=O)(=O)c1cnc2cccnn12    		 (4R)-imidazo[1,2-b]pyridazine-3-sulfonamide
    12793
    A1AN0    		 1 C19 H21 Br N4 O2 S InChI=1S/C19H21BrN4O2S/c1
    -11(2)17(24-19-14-9-16(20
    )23-18(14)21-10-22-19)13-
    6-5-12-4-3-7-27(25,26)15(
    12)8-13/h5-6,8-11,17H,3-4
    ,7H2,1-2H3,(H2,21,22,23,2
    4)/t17-/m1/s1;
    VAONVVNMXRCJSV-QGZVFWFLSA-N    		 CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc(
    [nH]c4ncn3)Br; CC(C)[C@H](Nc1ncnc2[nH]c(
    Br)cc12)c3ccc4CCC[S](=O)(=O)c4c3; CC(C)[
    C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([
    nH]c4ncn3)Br; CC(C)C(Nc1ncnc2[NH]c(Br)cc
    21)c1ccc2CCCS(=O)(=O)c2c1; CC(C)[CH](Nc1
    ncnc2[nH]c(Br)cc12)c3ccc4CCC[S](=O)(=O)c
    4c3    		 7-{(1R)-1-[(6-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-methylpropyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12794
    A1AN1    		 4 C39 H63 N7 O16 P2 InChI=1S/C39H63N7O16P2/c1
    -24-28-8-6-7-27(62-37(53)
    44-20-18-40-30(47)15-16-4
    2-35(51)33(49)38(2,3)22-6
    0-63(54,55)56)13-14-29(28
    )32(46-45-24)26-11-9-25(1
    0-12-26)21-31(48)41-17-19
    -43-36(52)34(50)39(4,5)23
    -61-64(57,58)59/h9-12,27-
    28,33-34,46,49-50H,6-8,13
    -23H2,1-5H3,(H,40,47)(H,4
    1,48)(H,42,51)(H,43,52)(H
    ,44,53)(H2,54,55,56)(H2,5
    7,58,59)/t27-,28-,33-,34-
    /m0/s1;
    YOLLUOFJIOLVFE-XKJABPBFSA-N    		 CC1=NNC(=C2CC[CH](CCC[CH]12)OC(=O)NCCNC(
    =O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O)c
    3ccc(CC(=O)NCCNC(=O)[CH](O)C(C)(C)CO[P](
    O)(O)=O)cc3; O=P(O)(O)OCC(C)(C)C(O)C(=O)
    NCCNC(=O)Cc1ccc(cc1)C=1NN=C(C)C2CCCC(CCC
    2=1)OC(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
    P(=O)(O)O; CC1=NNC(=C2C1CCCC(CC2)OC(=O)N
    CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)c
    3ccc(cc3)CC(=O)NCCNC(=O)C(C(C)(C)COP(=O)
    (O)O)O; CC1=NNC(=C2[C@H]1CCC[C@@H](CC2)O
    C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(
    =O)(O)O)O)c3ccc(cc3)CC(=O)NCCNC(=O)[C@@H
    ](C(C)(C)COP(=O)(O)O)O; CC1=NNC(=C2CC[C@
    H](CCC[C@@H]12)OC(=O)NCCNC(=O)CCNC(=O)[C
    @H](O)C(C)(C)CO[P](O)(O)=O)c3ccc(CC(=O)N
    CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O)cc3    		 (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,11-trioxo-2-oxa-7,10-diaza-1lambda~5~-phosphadodecan-12-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]carbamate
    12795
    A1AN2    		 1 C23 H25 N7 O2 S InChI=1S/C23H25N7O2S/c1-1
    3(2)20(15-6-5-14-4-3-7-33
    (31,32)19(14)8-15)30-22-1
    7-9-18(29-21(17)27-12-28-
    22)16-10-25-23(24)26-11-1
    6/h5-6,8-13,20H,3-4,7H2,1
    -2H3,(H2,24,25,26)(H2,27,
    28,29,30)/t20-/m1/s1;
    JKDWQUINMIAHPJ-HXUWFJFHSA-N    		 CC(C)[C@H](Nc1ncnc2[nH]c(cc12)c3cnc(N)nc
    3)c4ccc5CCC[S](=O)(=O)c5c4; CC(C)[C@@H](
    c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4n
    cn3)c5cnc(nc5)N; Nc1ncc(cn1)c1cc2c([NH]1
    )ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C; C
    C(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([
    nH]c4ncn3)c5cnc(nc5)N; CC(C)[CH](Nc1ncnc
    2[nH]c(cc12)c3cnc(N)nc3)c4ccc5CCC[S](=O)
    (=O)c5c4    		 7-[(1R)-1-{[6-(2-aminopyrimidin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12796
    A1AN3    		 1 C26 H29 N7 O3 S InChI=1S/C26H29N7O3S/c1-1
    5(2)23(17-6-5-16-4-3-7-37
    (35,36)22(16)8-17)32-25-2
    0-9-21(31-24(20)29-14-30-
    25)18-10-27-26(28-11-18)3
    3-12-19(34)13-33/h5-6,8-1
    1,14-15,19,23,34H,3-4,7,1
    2-13H2,1-2H3,(H2,29,30,31
    ,32)/t23-/m1/s1;
    OJUYAPBHBXBKDL-HSZRJFAPSA-N    		 OC1CN(C1)c1ncc(cn1)c1cc2c([NH]1)ncnc2NC(
    c1ccc2CCCS(=O)(=O)c2c1)C(C)C; CC(C)C(c1c
    cc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3
    )c5cnc(nc5)N6CC(C6)O; CC(C)[C@H](Nc1ncnc
    2[nH]c(cc12)c3cnc(nc3)N4CC(O)C4)c5ccc6CC
    C[S](=O)(=O)c6c5; CC(C)[C@@H](c1ccc2c(c1
    )S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5cnc(
    nc5)N6CC(C6)O; CC(C)[CH](Nc1ncnc2[nH]c(c
    c12)c3cnc(nc3)N4CC(O)C4)c5ccc6CCC[S](=O)
    (=O)c6c5    		 7-[(1R)-1-({6-[2-(3-hydroxyazetidin-1-yl)pyrimidin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12797
    A1AN4    		 2 C21 H25 N5 O3 InChI=1S/C21H25N5O3/c1-4-
    22-21(27)15-10-14-19(25-1
    5)23-11-24-20(14)26-18(12
    (2)3)13-5-6-16-17(9-13)29
    -8-7-28-16/h5-6,9-12,18H,
    4,7-8H2,1-3H3,(H,22,27)(H
    2,23,24,25,26)/t18-/m0/s1;
    VWSLKHOHFKBICN-SFHVURJKSA-N    		 CCNC(=O)c1cc2c([nH]1)ncnc2NC(c3ccc4c(c3)
    OCCO4)C(C)C; CCNC(=O)c1cc2c([nH]1)ncnc2N
    [C@H](c3ccc4c(c3)OCCO4)C(C)C; CCNC(=O)c1
    cc2c([NH]1)ncnc2NC(c1ccc2OCCOc2c1)C(C)C;
    CCNC(=O)c1[nH]c2ncnc(N[CH](C(C)C)c3ccc4
    OCCOc4c3)c2c1; CCNC(=O)c1[nH]c2ncnc(N[C@
    @H](C(C)C)c3ccc4OCCOc4c3)c2c1    		 4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
    12798
    A1AN5    		 1 C19 H23 N3 O4 S InChI=1S/C19H23N3O4S/c1-1
    2(2)16(22-18-17-19(21-11-
    20-18)26-8-7-25-17)14-6-5
    -13-4-3-9-27(23,24)15(13)
    10-14/h5-6,10-12,16H,3-4,
    7-9H2,1-2H3,(H,20,21,22)/
    t16-/m0/s1;
    PIXRXRGTMYVVJI-INIZCTEOSA-N    		 CC(C)C(c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4c(n
    cn3)OCCO4; CC(C)[C@@H](c1ccc2c(c1)S(=O)(
    =O)CCC2)Nc3c4c(ncn3)OCCO4; CC(C)[CH](Nc1
    ncnc2OCCOc12)c3ccc4CCC[S](=O)(=O)c4c3; C
    C(C)[C@H](Nc1ncnc2OCCOc12)c3ccc4CCC[S](=
    O)(=O)c4c3; CC(C)C(Nc1ncnc2OCCOc21)c1ccc
    2CCCS(=O)(=O)c2c1    		 7-{(1S)-1-[(6,7-dihydro[1,4]dioxino[2,3-d]pyrimidin-4-yl)amino]-2-methylpropyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
    12799
    A1AN7    		 2 C42 H68 N8 O17 P2 InChI=1S/C42H68N8O17P2/c1
    -26-30-8-6-7-29(67-40(58)
    48-22-21-44-33(52)16-18-4
    7-39(57)37(55)42(4,5)25-6
    6-69(62,63)64)13-14-31(30
    )35(50-49-26)28-11-9-27(1
    0-12-28)23-34(53)45-20-19
    -43-32(51)15-17-46-38(56)
    36(54)41(2,3)24-65-68(59,
    60)61/h9-12,29-30,36-37,5
    0,54-55H,6-8,13-25H2,1-5H
    3,(H,43,51)(H,44,52)(H,45
    ,53)(H,46,56)(H,47,57)(H,
    48,58)(H2,59,60,61)(H2,62
    ,63,64)/t29-,30-,36-,37-/
    m0/s1;
    NIBTULRMWBVSTM-MEITYLAXSA-N    		 CC1=NNC(=C2C1CCCC(CC2)OC(=O)NCCNC(=O)CCN
    C(=O)C(C(C)(C)COP(=O)(O)O)O)c3ccc(cc3)CC
    (=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)
    O)O; CC1=NNC(=C2[C@H]1CCC[C@@H](CC2)OC(=
    O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)
    (O)O)O)c3ccc(cc3)CC(=O)NCCNC(=O)CCNC(=O)
    [C@@H](C(C)(C)COP(=O)(O)O)O; O=P(O)(O)OC
    C(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)Cc1ccc(
    cc1)C=1NN=C(C)C2CCCC(CCC2=1)OC(=O)NCCNC(
    =O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O; CC1=N
    NC(=C2CC[CH](CCC[CH]12)OC(=O)NCCNC(=O)CC
    NC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O)c3ccc(
    CC(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[
    P](O)(O)=O)cc3; CC1=NNC(=C2CC[C@H](CCC[C
    @@H]12)OC(=O)NCCNC(=O)CCNC(=O)[C@H](O)C(
    C)(C)CO[P](O)(O)=O)c3ccc(CC(=O)NCCNC(=O)
    CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O)cc3    		 (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,10,15-tetraoxo-2-oxa-7,11,14-triaza-1lambda~5~-phosphahexadecan-16-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,10-trioxo-2-oxa-7,11-diaza-1lambda~5~-phosphatridecan-13-yl]carbamate (non-preferred name)
    12800
    A1AN8    		 1 C13 H18 Cl2 N2 O2 InChI=1S/C13H18Cl2N2O2/c1
    4-12-2-1-11(5-13(12)15)19
    -8-10(18)7-17-4-3-9(16)6-
    17/h1-2,5,9-10,18H,3-4,6-
    8,16H2/t9-,10+/m1/s1;
    IIYBAUNDLOGDON-ZJUUUORDSA-N    		 N[CH]1CCN(C1)C[CH](O)COc2ccc(Cl)c(Cl)c2;
    c1cc(c(cc1OC[C@H](CN2CC[C@H](C2)N)O)Cl)
    Cl; c1cc(c(cc1OCC(CN2CCC(C2)N)O)Cl)Cl; N
    C1CCN(CC(O)COc2ccc(Cl)c(Cl)c2)C1; N[C@@H
    ]1CCN(C1)C[C@H](O)COc2ccc(Cl)c(Cl)c2    		 (2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3,4-dichlorophenoxy)propan-2-ol
    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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