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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
    12401
    A1ABY    		 1 C15 H20 N2 O3 InChI=1S/C15H20N2O3/c1-10
    (18)17-9-14(20-15-4-2-3-7
    -16-15)12-8-11(17)5-6-13(
    12)19/h2-4,7,11-14,19H,5-
    6,8-9H2,1H3/t11-,12-,13+,
    14-/m0/s1;
    FEMVTOSQVHQYPQ-FQUUOJAGSA-N    		 CC(=O)N1C[CH](Oc2ccccn2)[CH]3C[CH]1CC[CH
    ]3O; CC(=O)N1C[C@H](Oc2ccccn2)[C@H]3C[C@
    @H]1CC[C@H]3O; CC(=O)N1C[C@@H]([C@H]2C[C
    @@H]1CC[C@H]2O)Oc3ccccn3; CC(=O)N1CC(Oc2
    ccccn2)C2CC1CCC2O; CC(=O)N1CC(C2CC1CCC2O
    )Oc3ccccn3    		 1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one
    12402
    A1ABZ    		 2 C18 H19 N4 O7 P InChI=1S/C18H19N4O7P/c1-1
    0-16(23)14(12(7-20-10)9-2
    9-30(26,27)28)8-21-15(18(
    24)25)5-11-6-22-17-13(11)
    3-2-4-19-17/h2-4,6-8,20,2
    3H,5,9H2,1H3,(H,19,22)(H,
    24,25)(H2,26,27,28)/b14-8
    -,21-15+;
    DXWNFHNHJCXRNK-USDIAXPHSA-N    		 CC1=C(C(=CN=C(Cc2c[nH]c3c2cccn3)C(=O)O)C
    (=CN1)COP(=O)(O)O)O; CC1=C(O)C(=C\N=C(Cc
    2c[nH]c3ncccc23)C(O)=O)/C(=CN1)CO[P](O)(
    O)=O; CC1=C(/C(=C\N=C(/Cc2c[nH]c3c2cccn3
    )\C(=O)O)/C(=CN1)COP(=O)(O)O)O; CC1=C(O)
    C(=CN=C(Cc2c[nH]c3ncccc23)C(O)=O)C(=CN1)
    CO[P](O)(O)=O; O=C(O)C(\Cc1c[NH]c2ncccc2
    1)=N\C=C1/C(O)=C(C)NC=C1COP(=O)(O)O    		 (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
    12403
    A1AC0    		 2 C18 H21 N O8 InChI=1S/C18H21NO8/c1-8-5
    -14(22)26-12-6-10(3-4-11(
    8)12)25-18-15(19-9(2)21)1
    7(24)16(23)13(7-20)27-18/
    h3-6,13,15-18,20,23-24H,7
    H2,1-2H3,(H,19,21)/t13-,1
    5-,16-,17-,18-/m1/s1;
    QCTHLCFVVACBSA-JVNHZCFISA-N    		 CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H
    ]([C@@H]([C@H](O3)CO)O)O)NC(=O)C; CC(=O)
    NC1C(O)C(O)C(CO)OC1Oc1cc2OC(=O)C=C(C)c2c
    c1; CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)
    CO)O)O)NC(=O)C; CC(=O)N[CH]1[CH](O)[CH](
    O)[CH](CO)O[CH]1Oc2ccc3C(=CC(=O)Oc3c2)C;
    CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C
    O)O[C@H]1Oc2ccc3C(=CC(=O)Oc3c2)C    		 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside
    12404
    A1AC1    		 24 C20 H22 N2 O2 S InChI=1S/C20H22N2O2S/c1-3
    -25-18-11-7-6-10-17(18)21
    -19(23)12-14(2)22-13-15-8
    -4-5-9-16(15)20(22)24/h4-
    11,14H,3,12-13H2,1-2H3,(H
    ,21,23)/t14-/m1/s1;
    FIHKSVOKNUVXAB-CQSZACIVSA-N    		 CCSc1ccccc1NC(=O)CC(C)N2Cc3ccccc3C2=O; C
    CSc1ccccc1NC(=O)C[CH](C)N2Cc3ccccc3C2=O;
    CCSc1ccccc1NC(=O)CC(C)N1Cc2ccccc2C1=O;
    CCSc1ccccc1NC(=O)C[C@@H](C)N2Cc3ccccc3C2
    =O    		 (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
    12405
    A1AC4    		 2 C32 H47 N5 O6 S InChI=1S/C32H47N5O6S/c1-2
    1(43-16-22-7-5-4-6-8-22)2
    6(30(41)35-9-11-42-12-10-
    35)34-27(38)24-15-36(29(4
    0)25-14-33-20-44-25)17-32
    (24)18-37(19-32)28(39)23-
    13-31(23,2)3/h14,20-24,26
    H,4-13,15-19H2,1-3H3,(H,3
    4,38)/t21-,23-,24?,26+/m1
    /s1;
    NGKYDOYICDCFRF-NZMKUBJDSA-N    		 O=C(N1CC2(CN(C2)C(=O)C2CC2(C)C)C(C1)C(=O
    )NC(C(=O)N1CCOCC1)C(C)OCC1CCCCC1)c1cncs1
    ; CC(C(C(=O)N1CCOCC1)NC(=O)C2CN(CC23CN(C
    3)C(=O)C4CC4(C)C)C(=O)c5cncs5)OCC6CCCCC6
    ; C[C@H]([C@@H](C(=O)N1CCOCC1)NC(=O)[C@@
    H]2CN(CC23CN(C3)C(=O)[C@H]4CC4(C)C)C(=O)
    c5cncs5)OCC6CCCCC6; C[CH](OCC1CCCCC1)[CH
    ](NC(=O)[CH]2CN(CC23CN(C3)C(=O)[CH]4CC4(
    C)C)C(=O)c5scnc5)C(=O)N6CCOCC6; C[C@@H](
    OCC1CCCCC1)[C@H](NC(=O)[C@@H]2CN(CC23CN(
    C3)C(=O)[C@H]4CC4(C)C)C(=O)c5scnc5)C(=O)
    N6CCOCC6    		 (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide
    12406
    A1AC5    		 2 C37 H52 N6 O5 InChI=1S/C37H52N6O5/c1-25
    (48-16-15-26-11-7-5-8-12-
    26)31(33(45)38-4)40-32(44
    )30-21-41(22-37(30)23-42(
    24-37)35(47)29-17-36(29,2
    )3)34(46)28-18-39-43(20-2
    8)19-27-13-9-6-10-14-27/h
    6,9-10,13-14,18,20,25-26,
    29-31H,5,7-8,11-12,15-17,
    19,21-24H2,1-4H3,(H,38,45
    )(H,40,44)/t25-,29-,30?,3
    1+/m1/s1;
    UVZNYNNQQMCMKG-XDOPDHMJSA-N    		 C[C@H]([C@@H](C(=O)NC)NC(=O)[C@@H]1CN(CC
    12CN(C2)C(=O)[C@H]3CC3(C)C)C(=O)c4cnn(c4
    )Cc5ccccc5)OCCC6CCCCC6; CNC(=O)[CH](NC(=
    O)[CH]1CN(CC12CN(C2)C(=O)[CH]3CC3(C)C)C(
    =O)c4cnn(Cc5ccccc5)c4)[CH](C)OCCC6CCCCC6
    ; CNC(=O)C(NC(=O)C1CN(CC21CN(C2)C(=O)C1C
    C1(C)C)C(=O)c1cn(Cc2ccccc2)nc1)C(C)OCCC1
    CCCCC1; CNC(=O)[C@@H](NC(=O)[C@@H]1CN(CC
    12CN(C2)C(=O)[C@H]3CC3(C)C)C(=O)c4cnn(Cc
    5ccccc5)c4)[C@@H](C)OCCC6CCCCC6; CC(C(C(
    =O)NC)NC(=O)C1CN(CC12CN(C2)C(=O)C3CC3(C)
    C)C(=O)c4cnn(c4)Cc5ccccc5)OCCC6CCCCC6    		 (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide
    12407
    A1AC6    		 2 C19 H19 Br N2 O4 InChI=1S/C19H19BrN2O4/c1-
    25-17-10-15(7-4-13(17)9-1
    6-11-26-19(24)22-16)21-18
    (23)8-12-2-5-14(20)6-3-12
    /h2-7,10,16H,8-9,11H2,1H3
    ,(H,21,23)(H,22,24)/t16-/
    m0/s1;
    GVSSEJUGEJTADP-INIZCTEOSA-N    		 COc1cc(ccc1C[C@H]2COC(=O)N2)NC(=O)Cc3ccc
    (cc3)Br; Brc1ccc(cc1)CC(=O)Nc1cc(OC)c(CC
    2NC(=O)OC2)cc1; COc1cc(ccc1CC2COC(=O)N2)
    NC(=O)Cc3ccc(cc3)Br; COc1cc(NC(=O)Cc2ccc
    (Br)cc2)ccc1C[CH]3COC(=O)N3; COc1cc(NC(=
    O)Cc2ccc(Br)cc2)ccc1C[C@H]3COC(=O)N3    		 2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide
    12408
    A1AC7    		 0 C30 H30 N8 O InChI=1S/C30H30N8O/c1-19-
    13-28(37-30(31)33-19)35-2
    3-14-20(18-38(2)3)15-24(1
    7-23)36-29(39)21-7-6-8-22
    (16-21)34-27-11-12-32-26-
    10-5-4-9-25(26)27/h4-17H,
    18H2,1-3H3,(H,32,34)(H,36
    ,39)(H3,31,33,35,37)/p+1;
    FJKSIMNYGCBSRZ-UHFFFAOYSA-O    		 C[N+](C)Cc1cc(NC(=O)c2cccc(Nc3ccnc4ccccc
    34)c2)cc(Nc5cc(C)nc(N)n5)c1; Cc1cc(nc(n1
    )N)Nc2cc(cc(c2)NC(=O)c3cccc(c3)Nc4ccnc5c
    4cccc5)C[N+](C)C; Cc1cc(Nc2cc(C[NH+](C)C
    )cc(NC(=O)c3cccc(Nc4ccnc5ccccc54)c3)c2)n
    c(N)n1    		 N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(dimethylamino)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide
    12409
    A1AC8    		 1 C28 H32 N3 O6 InChI=1S/C28H31N3O6/c1-18
    -24(27(32)36-3)26(21-11-7
    -12-22(15-21)31(34)35)25(
    19(2)29-18)28(33)37-23-13
    -8-14-30(17-23)16-20-9-5-
    4-6-10-20/h4-7,9-12,15,23
    ,26H,8,13-14,16-17H2,1-3H
    3,(H-,29,32,33,34,35)/p+1
    /t23-,26-/m1/s1;
    ZSDRHNUSGPVYDV-ZEQKJWHPSA-O    		 COC(=O)C1=C(C)NC(=C([C@@H]1c2cccc(c2)[N+
    ](O)=O)C(=O)O[C@@H]3CCCN(C3)Cc4ccccc4)C;
    O=[N+](O)c1cccc(c1)C1C(C(=O)OC)=C(C)NC(
    C)=C1C(=O)OC1CCCN(Cc2ccccc2)C1; CC1=C(C(
    C(=C(N1)C)C(=O)OC2CCCN(C2)Cc3ccccc3)c4cc
    cc(c4)[N+](=O)O)C(=O)OC; CC1=C([C@H](C(=
    C(N1)C)C(=O)O[C@@H]2CCCN(C2)Cc3ccccc3)c4
    cccc(c4)[N+](=O)O)C(=O)OC; COC(=O)C1=C(C
    )NC(=C([CH]1c2cccc(c2)[N+](O)=O)C(=O)O[C
    H]3CCCN(C3)Cc4ccccc4)C    		 (3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate
    12410
    A1AC9    		 1 C38 H40 N2 O6 InChI=1S/C38H40N2O6/c1-39
    -15-13-25-20-32(42-4)34-2
    2-28(25)29(39)17-23-7-10-
    27(11-8-23)45-33-19-24(9-
    12-31(33)41-3)18-30-36-26
    (14-16-40(30)2)21-35(43-5
    )37(44-6)38(36)46-34/h7-1
    2,14,16,19-22,29-30H,13,1
    5,17-18H2,1-6H3/t29-,30?/
    m0/s1;
    OUHWUXGBWHCKDH-UFXYQILXSA-N    		 COc1ccc2C[C@@H]3N(C)C=Cc4cc(OC)c(OC)c(Oc
    5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC
    )c34; COc1ccc2C[CH]3N(C)C=Cc4cc(OC)c(OC)
    c(Oc5cc6[CH](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc
    5OC)c34; COc1c(OC)cc2C=CN(C)C3Cc4ccc(OC)
    c(c4)Oc4ccc(cc4)CC4c5cc(Oc1c32)c(OC)cc5C
    CN4C; CN1CCc2cc(c3cc2C1Cc4ccc(cc4)Oc5cc(
    ccc5OC)CC6c7c(cc(c(c7O3)OC)OC)C=CN6C)OC;
    CN1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5cc(
    ccc5OC)CC6c7c(cc(c(c7O3)OC)OC)C=CN6C)OC    		 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman
    12411
    A1ACD    		 1 C11 H19 N2 O13 P3 InChI=1S/C11H19N2O13P3/c1
    -6-3-13(11(16)12-10(6)15)
    9-2-7(14)8(25-9)4-24-27(1
    7,18)5-28(19,20)26-29(21,
    22)23/h3,7-9,14H,2,4-5H2,
    1H3,(H,17,18)(H,19,20)(H,
    12,15,16)(H2,21,22,23)/t7
    -,8-,9-/m1/s1;
    AFUOLHFRDGMFSB-IWSPIJDZSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O; CC1=CN
    ([C@H]2C[C@@H](O)[C@@H](CO[P](O)(=O)C[P]
    (O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O; O=P(O
    )(O)OP(=O)(O)CP(=O)(O)OCC1OC(CC1O)N1C=C(
    C)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O
    2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O; CC1=C
    N([CH]2C[CH](O)[CH](CO[P](O)(=O)C[P](O)(
    =O)O[P](O)(O)=O)O2)C(=O)NC1=O    		 1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
    12412
    A1ACE    		 2 C35 H39 N O6 InChI=1S/C35H39NO6/c1-33-
    13-12-25(38)16-23(33)10-1
    1-26-27-17-30-35(29(40)19
    -37,34(27,2)18-28(39)31(2
    6)33)42-32(41-30)22-8-6-2
    0(7-9-22)14-21-4-3-5-24(3
    6)15-21/h3-9,12-13,15-16,
    26-28,30-32,37,39H,10-11,
    14,17-19,36H2,1-2H3/t26-,
    27-,28+,30+,31+,32+,33-,3
    4-,35+/m0/s1;
    MPEPSOPXQDGEHP-XSZYCUJUSA-N    		 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)
    C=C[C@]34C)[C@@H]1C[C@H]5O[C@H](O[C@@]25
    C(=O)CO)c6ccc(Cc7cccc(N)c7)cc6; C[C]12C[
    CH](O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH
    ]1C[CH]5O[CH](O[C]25C(=O)CO)c6ccc(Cc7ccc
    c(N)c7)cc6; CC12CC(C3C(C1CC4C2(OC(O4)c5c
    cc(cc5)Cc6cccc(c6)N)C(=O)CO)CCC7=CC(=O)C
    =CC37C)O; C[C@]12C[C@@H]([C@H]3[C@H]([C@
    @H]1C[C@@H]4[C@]2(O[C@@H](O4)c5ccc(cc5)C
    c6cccc(c6)N)C(=O)CO)CCC7=CC(=O)C=C[C@]37
    C)O; Nc1cccc(c1)Cc1ccc(cc1)C1OC2CC3C4CCC
    5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)C
    O    		 (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
    12413
    A1ACI    		 2 C27 H33 N5 O4 InChI=1S/C27H33N5O4/c1-16
    (33)30-24(27(2,3)4)26(36)
    32-15-18(34)13-23(32)25(3
    5)28-14-17-9-10-21(22-11-
    12-29-31-22)20-8-6-5-7-19
    (17)20/h5-12,18,23-24,34H
    ,13-15H2,1-4H3,(H,28,35)(
    H,29,31)(H,30,33)/t18-,23
    +,24-/m1/s1;
    SURFMMPUSCEGRF-PUZWTLIVSA-N    		 CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O
    )NCc2ccc(c3cc[nH]n3)c4ccccc24)C(C)(C)C;
    CC(=O)N[CH](C(=O)N1C[CH](O)C[CH]1C(=O)NC
    c2ccc(c3cc[nH]n3)c4ccccc24)C(C)(C)C; CC(
    =O)NC(C(=O)N1CC(CC1C(=O)NCc2ccc(c3c2cccc
    3)c4cc[nH]n4)O)C(C)(C)C; CC(C)(C)C(NC(C)
    =O)C(=O)N1CC(O)CC1C(=O)NCc1ccc(c2cc[NH]n
    2)c2ccccc12; CC(=O)N[C@H](C(=O)N1C[C@@H]
    (C[C@H]1C(=O)NCc2ccc(c3c2cccc3)c4cc[nH]n
    4)O)C(C)(C)C    		 N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[(4P)-4-(1H-pyrazol-3-yl)naphthalen-1-yl]methyl}-L-prolinamide
    12414
    A1ACJ    		 8 C17 H15 Br N4 O6 InChI=1S/C17H15BrN4O6/c1-
    22-15(10-3-2-4-11(18)14(1
    0)27-6-5-23)21-12(13(24)1
    7(22)26)16(25)20-9-7-19-2
    8-8-9/h2-4,7-8,23-24H,5-6
    H2,1H3,(H,20,25);
    HNZOETDJOULZPF-UHFFFAOYSA-N    		 CN1C(=O)C(=C(N=C1c2cccc(Br)c2OCCO)C(=O)N
    c3conc3)O; CN1C(=NC(=C(C1=O)O)C(=O)Nc2cn
    oc2)c3cccc(c3OCCO)Br; O=C(Nc1conc1)C=1N=
    C(c2cccc(Br)c2OCCO)N(C)C(=O)C=1O    		 (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
    12415
    A1ACK    		 1 C15 H18 N2 O2 InChI=1S/C15H18N2O2/c18-1
    4-13-7-9-17(8-6-12(13)10-
    16-14)15(19)11-4-2-1-3-5-
    11/h1-5,12-13H,6-10H2,(H,
    16,18)/t12-,13+/m1/s1;
    AAXSMHTZGVMTFZ-OLZOCXBDSA-N    		 O=C1NC[CH]2CCN(CC[CH]12)C(=O)c3ccccc3; O
    =C1NCC2CCN(CCC12)C(=O)c1ccccc1; O=C1NC[C
    @H]2CCN(CC[C@H]12)C(=O)c3ccccc3; c1ccc(c
    c1)C(=O)N2CCC3CNC(=O)C3CC2; c1ccc(cc1)C(
    =O)N2CC[C@@H]3CNC(=O)[C@H]3CC2    		 (3aS,8aS)-6-benzoyloctahydropyrrolo[3,4-d]azepin-1(2H)-one
    12416
    A1ACN    		 2 C18 H19 N4 O7 P InChI=1S/C18H19N4O7P/c1-1
    0-16(23)14(12(7-20-10)9-2
    9-30(26,27)28)8-21-15(18(
    24)25)5-11-6-22-17-13(11)
    3-2-4-19-17/h2-4,6-8,15,2
    3H,5,9H2,1H3,(H,19,22)(H,
    24,25)(H2,26,27,28);
    FOBIZDVJDQACQK-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](Cc2c[nH]c
    3ncccc23)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O
    )(O)O)/C=N/[C@@H](Cc2c[nH]c3c2cccn3)C(=O
    )O)O; Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](C
    c2c[nH]c3ncccc23)C(O)=O)c1O; Cc1c(c(c(cn
    1)COP(=O)(O)O)C=NC(Cc2c[nH]c3c2cccn3)C(=
    O)O)O; O=P(O)(O)OCc1cnc(C)c(O)c1/C=N/C(C
    c1c[NH]c2ncccc21)C(=O)O    		 (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine
    12417
    A1ACS    		 2 C25 H34 N4 O InChI=1S/C25H34N4O/c1-19(
    21-10-14-26-15-11-21)29-1
    6-12-23(13-17-29)27-25(30
    )28-24-9-5-8-22(24)18-20-
    6-3-2-4-7-20/h2-4,6-7,10-
    11,14-15,19,22-24H,5,8-9,
    12-13,16-18H2,1H3,(H2,27,
    28,30)/t19-,22+,24-/m0/s1;
    VTYNQXSOEMAIGY-KWOQKUFVSA-N    		 CC(c1ccncc1)N1CCC(NC(=O)NC2CCCC2Cc2ccccc
    2)CC1; CC(c1ccncc1)N2CCC(CC2)NC(=O)NC3CC
    CC3Cc4ccccc4; C[CH](N1CCC(CC1)NC(=O)N[CH
    ]2CCC[CH]2Cc3ccccc3)c4ccncc4; C[C@@H](c1
    ccncc1)N2CCC(CC2)NC(=O)N[C@H]3CCC[C@@H]3
    Cc4ccccc4; C[C@H](N1CCC(CC1)NC(=O)N[C@H]
    2CCC[C@@H]2Cc3ccccc3)c4ccncc4    		 N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea
    12418
    A1ACY    		 2 C16 H19 N O7 InChI=1S/C16H19NO7/c1-7-4
    -12(19)23-10-5-8(2-3-9(7)
    10)22-16-13(17)15(21)14(2
    0)11(6-18)24-16/h2-5,11,1
    3-16,18,20-21H,6,17H2,1H3
    /t11-,13-,14-,15-,16-/m1/
    s1;
    XPBYRVZLJCNXMD-JPIRQXTESA-N    		 CC1=CC(=O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[C
    H](O)[CH]3N)ccc12; CC1=CC(=O)Oc2c1ccc(c2
    )O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)
    O)O)N; CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(
    O3)CO)O)O)N; CC1=CC(=O)Oc2cc(O[C@@H]3O[C
    @H](CO)[C@@H](O)[C@H](O)[C@H]3N)ccc12; C
    C1=CC(=O)Oc2cc(OC3OC(CO)C(O)C(O)C3N)ccc1
    2    		 4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-amino-2-deoxy-beta-D-glucopyranoside
    12419
    A1AD0    		 2 C25 H33 N3 O4 InChI=1S/C25H33N3O4/c1-24
    (2)18-13-28(23(32)25(9-10
    -25)16-6-4-3-5-7-16)20(19
    (18)24)22(31)27-17(14-29)
    12-15-8-11-26-21(15)30/h3
    -7,15,17-20,29H,8-14H2,1-
    2H3,(H,26,30)(H,27,31)/t1
    5-,17-,18-,19-,20-/m0/s1;
    BJOCSYXAWSVVOR-JBDAPHQKSA-N    		 CC1(C2C1C(N(C2)C(=O)C3(CC3)c4ccccc4)C(=O
    )NC(CC5CCNC5=O)CO)C; CC1(C)C2C(C(=O)NC(C
    C3CCNC3=O)CO)N(CC21)C(=O)C1(CC1)c1ccccc1
    ; CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[
    C@H](CO)C[C@@H]3CCNC3=O)C(=O)C4(CC4)c5cc
    ccc5; CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)C
    3(CC3)c4ccccc4)C(=O)N[C@@H](C[C@@H]5CCNC
    5=O)CO)C; CC1(C)[CH]2CN([CH]([CH]12)C(=O
    )N[CH](CO)C[CH]3CCNC3=O)C(=O)C4(CC4)c5cc
    ccc5    		 (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
    12420
    A1AD1    		 6 C20 H21 N5 InChI=1S/C20H21N5/c1-2-4-
    18-16(3-1)17(12-22-18)15-
    5-6-20-19(11-15)23-24-25(
    20)13-14-7-9-21-10-8-14/h
    1-6,11-12,14,21-22H,7-10,
    13H2;
    NBQLAWNYPHEUQJ-UHFFFAOYSA-N    		 c1c(ccc2c1nnn2CC1CCNCC1)c1c[NH]c2ccccc21
    ; C1CC(CCN1)Cn2nnc3cc(ccc23)c4c[nH]c5ccc
    cc45; c1ccc2c(c1)c(c[nH]2)c3ccc4c(c3)nnn
    4CC5CCNCC5    		 (5P)-5-(1H-indol-3-yl)-1-[(piperidin-4-yl)methyl]-1H-benzotriazole
    12421
    A1AD4    		 2 C35 H37 N3 O13 InChI=1S/C35H37N3O13/c1-1
    7-34(44)36(4)33(21-12-18(
    38(45)46)13-26(49-7)32(21
    )50-16-29(42)43)37(17)27(
    39)14-19-24(47-5)10-8-22-
    30(19)51-31-20(15-28(40)4
    1)25(48-6)11-9-23(31)35(2
    2,2)3/h8-13,17,33H,14-16H
    2,1-7H3,(H,40,41)(H,42,43
    )/t17-,33+/m0/s1;
    PGHDTEOXCASCRK-UGAOPGRHSA-N    		 COc1ccc2c(Oc3c(CC(=O)N4[CH](C)C(=O)N(C)[
    CH]4c5cc(cc(OC)c5OCC(O)=O)[N+]([O-])=O)c
    (OC)ccc3C2(C)C)c1CC(O)=O; C[C@H]1C(=O)N(
    [C@H](N1C(=O)Cc2c(ccc3c2Oc4c(ccc(c4CC(=O
    )O)OC)C3(C)C)OC)c5cc(cc(c5OCC(=O)O)OC)[N
    +](=O)[O-])C; COc1ccc2c(Oc3c(CC(=O)N4[C@
    @H](C)C(=O)N(C)[C@H]4c5cc(cc(OC)c5OCC(O)
    =O)[N+]([O-])=O)c(OC)ccc3C2(C)C)c1CC(O)=
    O; CC1C(=O)N(C(N1C(=O)Cc2c(ccc3c2Oc4c(cc
    c(c4CC(=O)O)OC)C3(C)C)OC)c5cc(cc(c5OCC(=
    O)O)OC)[N+](=O)[O-])C; [O-][N+](=O)c1cc(
    c(OCC(=O)O)c(OC)c1)C1N(C)C(=O)C(C)N1C(=O
    )Cc1c(OC)ccc2c1Oc1c(ccc(OC)c1CC(=O)O)C2(
    C)C    		 [5-(2-{(2R,5S)-2-[2-(carboxymethoxy)-3-methoxy-5-nitrophenyl]-3,5-dimethyl-4-oxoimidazolidin-1-yl}-2-oxoethyl)-3,6-dimethoxy-9,9-dimethyl-9H-xanthen-4-yl]acetic acid
    12422
    A1AD7    		 2 C16 H12 F N5 InChI=1S/C16H12FN5/c1-22-
    9-13(11-4-6-18-16-12(11)5
    -7-19-16)15(21-22)14-3-2-
    10(17)8-20-14/h2-9H,1H3,(
    H,18,19);
    OAUWJBUJGOVSTR-UHFFFAOYSA-N    		 Cn1cc(c2ccnc3[nH]ccc23)c(n1)c4ccc(F)cn4;
    Cn1cc(c(n1)c1ncc(F)cc1)c1ccnc2[NH]ccc21
    ; Cn1cc(c(n1)c2ccc(cn2)F)c3ccnc4c3cc[nH]
    4    		 (4P)-4-[(3P)-3-(5-fluoropyridin-2-yl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
    12423
    A1AD8    		 2 C19 H17 F N6 O InChI=1S/C19H17FN6O/c1-19
    (2)10-26-15(9-27-19)16(12
    -5-6-21-18-13(12)8-23-24-
    18)17(25-26)14-4-3-11(20)
    7-22-14/h3-8H,9-10H2,1-2H
    3,(H,21,23,24);
    WZMIWVZGYMKUDV-UHFFFAOYSA-N    		 Fc1ccc(nc1)c1nn2CC(C)(C)OCc2c1c1ccnc2[NH
    ]ncc21; CC1(C)Cn2nc(c3ccc(F)cn3)c(c2CO1)
    c4ccnc5[nH]ncc45; CC1(Cn2c(c(c(n2)c3ccc(
    cn3)F)c4ccnc5c4cn[nH]5)CO1)C    		 (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
    12424
    A1AD9    		 2 C17 H13 F N4 InChI=1S/C17H13FN4/c1-22-
    10-15(13-6-8-19-17-14(13)
    7-9-20-17)16(21-22)11-2-4
    -12(18)5-3-11/h2-10H,1H3,
    (H,19,20);
    PURIVPGRKIUWCS-UHFFFAOYSA-N    		 Cn1cc(c2ccnc3[nH]ccc23)c(n1)c4ccc(F)cc4;
    Cn1cc(c(n1)c1ccc(F)cc1)c1ccnc2[NH]ccc21
    ; Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3cc[nH]
    4    		 (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
    12425
    A1ADB    		 0 C33 H35 N9 O InChI=1S/C33H35N9O/c1-22-
    16-31(40-33(34)36-22)38-2
    6-17-23(21-42-14-12-41(2)
    13-15-42)18-27(20-26)39-3
    2(43)24-6-5-7-25(19-24)37
    -30-10-11-35-29-9-4-3-8-2
    8(29)30/h3-11,16-20H,12-1
    5,21H2,1-2H3,(H,35,37)(H,
    39,43)(H3,34,36,38,40);
    HSJHGRCPBQHRPX-UHFFFAOYSA-N    		 Cc1cc(nc(n1)N)Nc2cc(cc(c2)NC(=O)c3cccc(c
    3)Nc4ccnc5c4cccc5)CN6CCN(CC6)C; CN1CCN(C
    C1)Cc2cc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3
    )cc(Nc6cc(C)nc(N)n6)c2; Cc1cc(nc(N)n1)Nc
    1cc(cc(NC(=O)c2cccc(Nc3ccnc4ccccc43)c2)c
    1)CN1CCN(C)CC1    		 N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide
    12426
    A1ADC    		 2 C23 H28 Cl F N4 O3 S InChI=1S/C23H28ClFN4O3S/c
    1-27(2)19-10-11-29(15-19)
    33(25,31)26-18-8-9-20(21(
    24)14-18)23(30)28-12-13-3
    2-22(16-28)17-6-4-3-5-7-1
    7/h3-9,14,19,22H,10-13,15
    -16H2,1-2H3/t19-,22+,33+/
    m0/s1;
    BERGFUUTFFRLQM-ADUORFRMSA-N    		 CN(C)[C@H]1CCN(C1)[S@@](=Nc2ccc(c(c2)Cl)
    C(=O)N3CCO[C@H](C3)c4ccccc4)(=O)F; CN(C)
    C1CCN(C1)S(=Nc2ccc(c(c2)Cl)C(=O)N3CCOC(C
    3)c4ccccc4)(=O)F; CN(C)[CH]1CCN(C1)[S](F
    )(=O)=Nc2ccc(c(Cl)c2)C(=O)N3CCO[CH](C3)c
    4ccccc4; CN(C)[C@H]1CCN(C1)[S@](F)(=O)=N
    c2ccc(c(Cl)c2)C(=O)N3CCO[C@H](C3)c4ccccc
    4; O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=
    O)N2CCC(C2)N(C)C)cc1Cl    		 [2-chloranyl-4-[[[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]-fluoranyl-oxidanylidene-$l^{5}-sulfanyl]amino]phenyl]-[(2~{S})-2-phenylmorpholin-4-yl]methanone
    12427
    A1ADD    		 2 C23 H27 Cl2 F N4 O3 S InChI=1S/C23H27Cl2FN4O3S/
    c1-28(2)18-8-9-30(14-18)3
    4(26,32)27-17-12-19(24)22
    (20(25)13-17)23(31)29-10-
    11-33-21(15-29)16-6-4-3-5
    -7-16/h3-7,12-13,18,21H,8
    -11,14-15H2,1-2H3/t18-,21
    +,34+/m0/s1;
    OKUDLLICJLGJGV-MDLJVCPPSA-N    		 CN(C)[C@H]1CCN(C1)[S@](F)(=O)=Nc2cc(Cl)c
    (c(Cl)c2)C(=O)N3CCO[C@H](C3)c4ccccc4; CN
    (C)[CH]1CCN(C1)[S](F)(=O)=Nc2cc(Cl)c(c(C
    l)c2)C(=O)N3CCO[CH](C3)c4ccccc4; CN(C)C1
    CCN(C1)S(=Nc2cc(c(c(c2)Cl)C(=O)N3CCOC(C3
    )c4ccccc4)Cl)(=O)F; O=C(N1CC(OCC1)c1cccc
    c1)c1c(Cl)cc(N=S(F)(=O)N2CCC(C2)N(C)C)cc
    1Cl; CN(C)[C@H]1CCN(C1)[S@@](=Nc2cc(c(c(
    c2)Cl)C(=O)N3CCO[C@H](C3)c4ccccc4)Cl)(=O
    )F    		 (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride
    12428
    A1ADE    		 1 C25 H21 Cl N4 O4 InChI=1S/C25H21ClN4O4/c1-
    27-23(31)16-6-4-15(5-7-16
    )20-14-28-30-11-10-17(12-
    22(20)30)24(32)29(2)18-8-
    9-21(26)19(13-18)25(33)34
    -3/h4-14H,1-3H3,(H,27,31);
    UUGWSUYPJGPKKF-UHFFFAOYSA-N    		 CNC(=O)c1ccc(cc1)c2cnn3c2cc(cc3)C(=O)N(C
    )c4ccc(c(c4)C(=O)OC)Cl; CNC(=O)c1ccc(cc1
    )c2cnn3ccc(cc23)C(=O)N(C)c4ccc(Cl)c(c4)C
    (=O)OC; O=C(OC)c1cc(ccc1Cl)N(C)C(=O)c1cc
    n2ncc(c2c1)c1ccc(cc1)C(=O)NC    		 methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate
    12429
    A1ADF    		 0 C15 H15 N3 O2 InChI=1S/C15H15N3O2/c1-18
    (2)14-9-7-13(8-10-14)17-1
    6-12-5-3-11(4-6-12)15(19)
    20/h3-10H,1-2H3,(H,19,20)
    /b17-16+;
    WCKQPPQRFNHPRJ-WUKNDPDISA-N    		 CN(C)c1ccc(cc1)N=Nc2ccc(cc2)C(=O)O; CN(C
    )c1ccc(cc1)/N=N/c2ccc(cc2)C(=O)O; CN(C)c
    1ccc(cc1)N=Nc2ccc(cc2)C(O)=O; CN(C)c1ccc
    (/N=N/c2ccc(cc2)C(=O)O)cc1    		 4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid
    12430
    A1ADG    		 5 C16 H14 N2 O InChI=1S/C16H14N2O/c1-11-
    7-3-6-10-15(11)18-12(2)17
    -14-9-5-4-8-13(14)16(18)1
    9/h3-10H,1-2H3;
    JEYCTXHKTXCGPB-UHFFFAOYSA-N    		 Cc1ccccc1N2C(=Nc3ccccc3C2=O)C; Cc1ccccc1
    N1C(C)=Nc2ccccc2C1=O    		 2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
    12431
    A1ADI    		 3 C9 H20 N2 O6 S2 InChI=1S/C9H20N2O6S2/c12-
    18(13,14)8-6-10-2-1-3-11(
    5-4-10)7-9-19(15,16)17/h1
    -9H2,(H,12,13,14)(H,15,16
    ,17);
    QZTMPPUJIVQNKS-UHFFFAOYSA-N    		 O[S](=O)(=O)CCN1CCCN(CC1)CC[S](O)(=O)=O;
    C1CN(CCN(C1)CCS(=O)(=O)O)CCS(=O)(=O)O;
    O=S(=O)(O)CCN1CCCN(CCS(=O)(=O)O)CC1    		 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid)
    12432
    A1ADM    		 1 C23 H30 N4 O4 InChI=1S/C23H30N4O4/c1-23
    (2)11-19(21(30)25-16(12-2
    8)9-15-7-8-24-20(15)29)27
    (13-23)22(31)18-10-14-5-3
    -4-6-17(14)26-18/h3-6,10,
    15-16,19,26,28H,7-9,11-13
    H2,1-2H3,(H,24,29)(H,25,3
    0)/t15-,16-,19-/m0/s1;
    VFSCZUUJUPXSPK-BXWFABGCSA-N    		 CC1(C)CC(C(=O)NC(CC2CCNC2=O)CO)N(C1)C(=O
    )c1cc2ccccc2[NH]1; CC1(C[C@H](N(C1)C(=O)
    c2cc3ccccc3[nH]2)C(=O)N[C@@H](C[C@@H]4CC
    NC4=O)CO)C; CC1(C)C[C@H](N(C1)C(=O)c2[nH
    ]c3ccccc3c2)C(=O)N[C@H](CO)C[C@@H]4CCNC4
    =O; CC1(C)C[CH](N(C1)C(=O)c2[nH]c3ccccc3
    c2)C(=O)N[CH](CO)C[CH]4CCNC4=O; CC1(CC(N
    (C1)C(=O)c2cc3ccccc3[nH]2)C(=O)NC(CC4CCN
    C4=O)CO)C    		 N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-1-(1H-indole-2-carbonyl)-4,4-dimethyl-L-prolinamide
    12433
    A1ADN    		 4 C21 H16 N2 O InChI=1S/C21H16N2O/c1-15-
    11-13-17(14-12-15)23-20(1
    6-7-3-2-4-8-16)22-19-10-6
    -5-9-18(19)21(23)24/h2-14
    H,1H3;
    QBGIEWLTLCNRED-UHFFFAOYSA-N    		 Cc1ccc(cc1)N2C(=O)c3ccccc3N=C2c4ccccc4;
    Cc1ccc(cc1)N2C(=Nc3ccccc3C2=O)c4ccccc4;
    Cc1ccc(cc1)N1C(=Nc2ccccc2C1=O)c1ccccc1    		 3-(4-methylphenyl)-2-phenylquinazolin-4(3H)-one
    12434
    A1ADO    		 0 C6 H12 F N O2 InChI=1S/C6H12FNO2/c1-4(3
    -7)2-5(8)6(9)10/h4-5H,2-3
    ,8H2,1H3,(H,9,10)/t4-,5+/
    m1/s1;
    FHOARJRQRXAPOF-UHNVWZDZSA-N    		 C[C@H](C[C@@H](C(=O)O)N)CF; CC(CC(C(=O)O
    )N)CF; C[C@@H](CF)C[C@H](N)C(O)=O; C[CH]
    (CF)C[CH](N)C(O)=O; FCC(C)CC(N)C(=O)O    		 (4R)-5-fluoro-L-leucine
    12435
    A1ADP    		 1 C23 H27 N5 O8 S InChI=1S/C23H27N5O8S/c1-3
    -27-8-9-28(21(33)20(27)32
    )23(36)26-17(13-4-6-14(30
    )7-5-13)18(31)24-15(10-29
    )19-25-16(22(34)35)12(2)1
    1-37-19/h4-7,10,15-17,19,
    25,30H,2-3,8-9,11H2,1H3,(
    H,24,31)(H,26,36)(H,34,35
    )/t15-,16-,17-,19-/m1/s1;
    ZGACUYALUWENPI-YWTNHNAXSA-N    		 CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccc(cc2)O)C(
    =O)NC(C=O)C3NC(C(=C)CS3)C(=O)O; CCN1CCN(
    C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N
    [C@H](C=O)[C@@H]3N[C@H](C(=C)CS3)C(=O)O;
    CCN1CCN(C(=O)N[CH](C(=O)N[CH](C=O)[CH]2
    N[CH](C(O)=O)C(=C)CS2)c3ccc(O)cc3)C(=O)C
    1=O; CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H](C=
    O)[C@@H]2N[C@@H](C(O)=O)C(=C)CS2)c3ccc(O
    )cc3)C(=O)C1=O; OC(=O)C1NC(SCC1=C)C(C=O)
    NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)c1ccc(O
    )cc1    		 (2R,4R)-2-[(1R)-1-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methylidene-1,3-thiazinane-4-carboxylic acid
    12436
    A1ADS    		 2 C34 H44 F N3 O7 InChI=1S/C34H44FN3O7/c1-2
    2(2)17-29(31(39)36-27(20-
    28-9-6-15-43-28)19-25-14-
    16-44-33(25)41)37-32(40)3
    0(18-23-10-12-26(35)13-11
    -23)38-34(42)45-21-24-7-4
    -3-5-8-24/h3-5,7-8,10-13,
    22,25,27-30H,6,9,14-21H2,
    1-2H3,(H,36,39)(H,37,40)(
    H,38,42)/t25-,27-,28+,29+
    ,30+/m1/s1;
    KTLVPXDSLURVFT-WJBPYKOESA-N    		 Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(C
    C(C)C)C(=O)NC(CC1CCCO1)CC1CCOC1=O; CC(C)
    C[CH](NC(=O)[CH](Cc1ccc(F)cc1)NC(=O)OCc2
    ccccc2)C(=O)N[CH](C[CH]3CCCO3)C[CH]4CCOC
    4=O; CC(C)CC(C(=O)NC(CC1CCOC1=O)CC2CCCO2
    )NC(=O)C(Cc3ccc(cc3)F)NC(=O)OCc4ccccc4;
    CC(C)C[C@@H](C(=O)N[C@H](C[C@H]1CCOC1=O)
    C[C@@H]2CCCO2)NC(=O)[C@H](Cc3ccc(cc3)F)N
    C(=O)OCc4ccccc4; CC(C)C[C@H](NC(=O)[C@H]
    (Cc1ccc(F)cc1)NC(=O)OCc2ccccc2)C(=O)N[C@
    @H](C[C@@H]3CCCO3)C[C@H]4CCOC4=O    		 N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2S)-oxolan-2-yl]-3-[(3S)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide
    12437
    A1ADT    		 8 C34 H32 Fe N4 O5 InChI=1S/C34H33N4O5.Fe/c1
    -7-20-17(3)23-13-24-19(5)
    22(9-10-31(39)40)28(37-24
    )16-30-34(12-11-32(41)43-
    34)33(6,42)29(38-30)15-27
    -21(8-2)18(4)25(36-27)14-
    26(20)35-23;/h7-8,13-16,4
    2H,1-2,9-12H2,3-6H3,(H2-,
    35,36,37,38,39,40);/q-1;+
    4/p-1/t33-,34-;/m1./s1;
    CYBWRCIPTVPWKW-YDXXJHAFSA-M    		 Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CC
    C(=O)O)cc8[n+]7c(c6)C(C89CCC(=O)O9)(C)O)
    C=C)C)C(=C3C)C=C; CC1=C(CCC(O)=O)C2=CC3=
    [N+]4C(=Cc5n6c(C=C7C(=C(C)C8=[N+]7[Fe]46
    [N]2C1=C8)C=C)c(C)c5C=C)[C](C)(O)[C]39CC
    C(=O)O9; O=C(O)CCC1=C(C)C2=CC3=[N+]4C(=C
    c5n6c(C=C7[N+]8=C(C=C1N2[Fe]648)C1(CCC(=
    O)O1)C7(C)O)c(C=C)c5C)C(C=C)=C3C; Cc1c2c
    c3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O
    )cc8[n+]7c(c6)[C@@]([C@@]89CCC(=O)O9)(C)
    O)C=C)C)C(=C3C)C=C; CC1=C(CCC(O)=O)C2=CC
    3=[N@@+]4C(=Cc5n6c(C=C7C(=C(C)C8=[N@+]7[
    Fe@@]46[N@]2C1=C8)C=C)c(C)c5C=C)[C@@](C)
    (O)[C@@]39CCC(=O)O9    		 {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron
    12438
    A1ADU    		 2 C23 H27 Cl2 F N4 O3 S InChI=1S/C23H27Cl2FN4O3S/
    c1-28(2)18-8-9-30(14-18)3
    4(26,32)27-17-12-19(24)22
    (20(25)13-17)23(31)29-10-
    11-33-21(15-29)16-6-4-3-5
    -7-16/h3-7,12-13,18,21H,8
    -11,14-15H2,1-2H3/t18-,21
    -,34-/m1/s1;
    OKUDLLICJLGJGV-ADTJAAABSA-N    		 CN(C)[CH]1CCN(C1)[S](F)(=O)=Nc2cc(Cl)c(c
    (Cl)c2)C(=O)N3CCO[CH](C3)c4ccccc4; CN(C)
    C1CCN(C1)S(=Nc2cc(c(c(c2)Cl)C(=O)N3CCOC(
    C3)c4ccccc4)Cl)(=O)F; CN(C)[C@@H]1CCN(C1
    )[S@](F)(=O)=Nc2cc(Cl)c(c(Cl)c2)C(=O)N3C
    CO[C@H](C3)c4ccccc4; O=C(N1CC(OCC1)c1ccc
    cc1)c1c(Cl)cc(N=S(F)(=O)N2CCC(C2)N(C)C)c
    c1Cl; CN(C)[C@@H]1CCN(C1)[S@@](=Nc2cc(c(
    c(c2)Cl)C(=O)N3CCO[C@H](C3)c4ccccc4)Cl)(
    =O)F    		 (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride
    12439
    A1ADV    		 2 C23 H28 Cl F N4 O3 S InChI=1S/C23H28ClFN4O3S/c
    1-27(2)19-10-11-29(15-19)
    33(25,31)26-18-8-9-20(21(
    24)14-18)23(30)28-12-13-3
    2-22(16-28)17-6-4-3-5-7-1
    7/h3-9,14,19,22H,10-13,15
    -16H2,1-2H3/t19-,22-,33-/
    m1/s1;
    BERGFUUTFFRLQM-DJAOPXNMSA-N    		 CN(C)C1CCN(C1)S(=Nc2ccc(c(c2)Cl)C(=O)N3C
    COC(C3)c4ccccc4)(=O)F; CN(C)[CH]1CCN(C1)
    [S](F)(=O)=Nc2ccc(c(Cl)c2)C(=O)N3CCO[CH]
    (C3)c4ccccc4; CN(C)[C@@H]1CCN(C1)[S@](F)
    (=O)=Nc2ccc(c(Cl)c2)C(=O)N3CCO[C@H](C3)c
    4ccccc4; CN(C)[C@@H]1CCN(C1)[S@@](=Nc2cc
    c(c(c2)Cl)C(=O)N3CCO[C@H](C3)c4ccccc4)(=
    O)F; O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)
    (=O)N2CCC(C2)N(C)C)cc1Cl    		 (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride
    12440
    A1ADW    		 0 C10 H13 N O2 InChI=1S/C10H13NO2/c1-7-4
    -2-3-5-8(7)6-9(11)10(12)1
    3/h2-5,9H,6,11H2,1H3,(H,1
    2,13)/t9-/m0/s1;
    NHBKDLSKDKUGSB-VIFPVBQESA-N    		 Cc1ccccc1C[CH](N)C(O)=O; Cc1ccccc1C[C@@H
    ](C(=O)O)N; Cc1ccccc1C[C@H](N)C(O)=O; Cc
    1ccccc1CC(C(=O)O)N; NC(Cc1ccccc1C)C(=O)O    		 (2S)-2-amino-3-(2-methylphenyl)propane-1,1-diol
    12441
    A1ADX    		 8 C20 H21 N5 InChI=1S/C20H21N5/c1-2-4-
    18-16(3-1)17(12-22-18)15-
    5-6-19-20(11-15)25(24-23-
    19)13-14-7-9-21-10-8-14/h
    1-6,11-12,14,21-22H,7-10,
    13H2;
    PNWXIFPGKLWYOV-UHFFFAOYSA-N    		 c1cc(cc2c1nnn2CC1CCNCC1)c1c[NH]c2ccccc21
    ; C1CC(CCN1)Cn2nnc3ccc(cc23)c4c[nH]c5ccc
    cc45; c1ccc2c(c1)c(c[nH]2)c3ccc4c(c3)n(n
    n4)CC5CCNCC5    		 (6M)-6-(1H-indol-3-yl)-1-[(piperidin-4-yl)methyl]-1H-benzotriazole
    12442
    A1ADY    		 0 C9 H10 N2 O4 InChI=1S/C9H10N2O4/c10-7(
    9(12)13)5-6-3-1-2-4-8(6)1
    1(14)15/h1-4,7H,5,10H2,(H
    ,12,13)/t7-/m0/s1;
    SDZGVFSSLGTJAJ-ZETCQYMHSA-N    		 c1ccc(c(c1)CC(C(=O)O)N)[N+](=O)[O-]; N[C
    @@H](Cc1ccccc1[N+]([O-])=O)C(O)=O; O=[N+
    ]([O-])c1ccccc1CC(N)C(=O)O; c1ccc(c(c1)C
    [C@@H](C(=O)O)N)[N+](=O)[O-]; N[CH](Cc1c
    cccc1[N+]([O-])=O)C(O)=O    		 (2~{S})-2-azanyl-3-[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propan-1-ol
    12443
    A1ADZ    		 0 C10 H13 N O3 InChI=1S/C10H13NO3/c1-14-
    9-5-3-2-4-7(9)6-8(11)10(1
    2)13/h2-5,8H,6,11H2,1H3,(
    H,12,13)/t8-/m0/s1;
    SEUPQWHWULSGJC-QMMMGPOBSA-N    		 COc1ccccc1C[C@H](N)C(O)=O; COc1ccccc1CC(
    N)C(=O)O; COc1ccccc1C[CH](N)C(O)=O; COc1
    ccccc1CC(C(=O)O)N; COc1ccccc1C[C@@H](C(=
    O)O)N    		 (2S)-2-amino-3-(2-methoxyphenyl)propan-1-ol
    12444
    A1AE0    		 0 C53 H76 N4 O15 InChI=1S/C53H76N4O15/c1-1
    3-40-53(8)46(71-51(64)72-
    53)31(4)41(55-66-12)29(2)
    27-52(7,65-11)45(70-49-43
    (59)39(56(9)10)25-30(3)67
    -49)32(5)44(33(6)48(62)68
    -40)69-50(63)54-24-18-16-
    14-15-17-19-34-20-23-36-3
    8(26-34)57(35-21-22-35)28
    -37(42(36)58)47(60)61/h20
    ,23,26,28-33,35,39-40,43-
    46,49,59H,13-16,18,21-22,
    24-25,27H2,1-12H3,(H,54,6
    3)(H,60,61)/b55-41+/t29-,
    30-,31+,32+,33-,39+,40-,4
    3-,44+,45-,46-,49+,52-,53
    -/m1/s1;
    TYNGZJWSKWCGOH-NPZJNIBRSA-N    		 CC[C@@H]1[C@@]2([C@@H]([C@H](/C(=N/OC)/[
    C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C
    (=O)O1)C)OC(=O)NCCCCCC#Cc3ccc4c(c3)N(C=C
    (C4=O)C(=O)O)C5CC5)C)O[C@H]6[C@@H]([C@H]
    (C[C@H](O6)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)
    C; CC[CH]1OC(=O)[CH](C)[CH](OC(=O)NCCCCC
    C#Cc2ccc3C(=O)C(=CN(C4CC4)c3c2)C(O)=O)[C
    H](C)[CH](O[CH]5O[CH](C)C[CH]([CH]5O)N(C
    )C)[C](C)(C[CH](C)C(=NOC)[CH](C)[CH]6OC(
    =O)O[C]16C)OC; O=C(O)C1=CN(C2CC2)c2cc(cc
    c2C1=O)C#CCCCCCNC(=O)OC1C(C)C(=O)OC(CC)C
    2(C)OC(=O)OC2C(C)\C(=N\OC)C(C)CC(C)(OC)C
    (OC2OC(C)CC(N(C)C)C2O)C1C; CCC1C2(C(C(C(
    =NOC)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCCCC
    C#Cc3ccc4c(c3)N(C=C(C4=O)C(=O)O)C5CC5)C)
    OC6C(C(CC(O6)C)N(C)C)O)(C)OC)C)C)OC(=O)O
    2)C; CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)
    NCCCCCC#Cc2ccc3C(=O)C(=CN(C4CC4)c3c2)C(O
    )=O)[C@H](C)[C@@H](O[C@@H]5O[C@H](C)C[C@
    @H]([C@H]5O)N(C)C)[C@@](C)(C[C@@H](C)\C(
    =N/OC)[C@H](C)[C@H]6OC(=O)O[C@]16C)OC    		 1-cyclopropyl-7-{7-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]hept-1-yn-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name);
    macrolone MCX-91
    12445
    A1AE1    		 0 C54 H81 F N6 O15 InChI=1S/C54H81FN6O15/c1-
    13-41-54(8)47(75-52(68)76
    -54)31(4)42(57-70-12)29(2
    )27-53(7,69-11)46(74-50-4
    4(63)40(58(9)10)24-30(3)7
    1-50)32(5)45(33(6)49(66)7
    2-41)73-51(67)56-18-14-15
    -19-59-20-22-60(23-21-59)
    39-26-38-35(25-37(39)55)4
    3(62)36(48(64)65)28-61(38
    )34-16-17-34/h25-26,28-34
    ,40-41,44-47,50,63H,13-24
    ,27H2,1-12H3,(H,56,67)(H,
    64,65)/b57-42+/t29-,30-,3
    1+,32+,33-,40+,41-,44-,45
    +,46-,47-,50+,53-,54-/m1/
    s1;
    RVEYYYFSPNYNOZ-PXZPORDJSA-N    		 CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCCC
    N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)
    C5CC5)[C@H](C)[C@@H](O[C@@H]6O[C@H](C)C[
    C@@H]([C@H]6O)N(C)C)[C@@](C)(C[C@@H](C)\
    C(=N/OC)[C@H](C)[C@H]7OC(=O)O[C@]17C)OC;
    CCC1C2(C(C(C(=NOC)C(CC(C(C(C(C(C(=O)O1)
    C)OC(=O)NCCCCN3CCN(CC3)c4cc5c(cc4F)C(=O)
    C(=CN5C6CC6)C(=O)O)C)OC7C(C(CC(O7)C)N(C)
    C)O)(C)OC)C)C)OC(=O)O2)C; CC[CH]1OC(=O)[
    CH](C)[CH](OC(=O)NCCCCN2CCN(CC2)c3cc4N(C
    =C(C(O)=O)C(=O)c4cc3F)C5CC5)[CH](C)[CH](
    O[CH]6O[CH](C)C[CH]([CH]6O)N(C)C)[C](C)(
    C[CH](C)C(=NOC)[CH](C)[CH]7OC(=O)O[C]17C
    )OC; CC[C@@H]1[C@@]2([C@@H]([C@H](/C(=N/
    OC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C
    @H](C(=O)O1)C)OC(=O)NCCCCN3CCN(CC3)c4cc5
    c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)C)O[C@H]7
    [C@@H]([C@H](C[C@H](O7)C)N(C)C)O)(C)OC)C
    )C)OC(=O)O2)C; O=C(O)C1=CN(C2CC2)c2cc(c(
    F)cc2C1=O)N1CCN(CC1)CCCCNC(=O)OC1C(C)C(=
    O)OC(CC)C2(C)OC(=O)OC2C(C)\C(=N\OC)C(C)C
    C(C)(OC)C(OC2OC(C)CC(N(C)C)C2O)C1C    		 1-cyclopropyl-7-(4-{4-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]butyl}piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name);
    macrolone MCX-128
    12446
    A1AE2    		 2 C33 H51 N5 O4 InChI=1S/C33H51N5O4/c1-4-
    10-28-12-5-6-14-33(28)42-
    25-30(39)21-34-19-9-13-29
    -23-38(37-36-29)20-8-7-11
    -27-15-17-32(18-16-27)41-
    24-31(40)22-35-26(2)3/h5-
    6,12,14-18,23,26,30-31,34
    -35,39-40H,4,7-11,13,19-2
    2,24-25H2,1-3H3;
    YQSRDTSIHACZCZ-UHFFFAOYSA-N    		 CCCc1ccccc1OCC(CNCCCc2cn(nn2)CCCCc3ccc(c
    c3)OCC(CNC(C)C)O)O; CCCc1ccccc1OC[C@H](C
    NCCCc2cn(nn2)CCCCc3ccc(cc3)OC[C@H](CNC(C
    )C)O)O; CCCc1ccccc1OC[CH](O)CNCCCc2cn(CC
    CCc3ccc(OC[CH](O)CNC(C)C)cc3)nn2; CCCc1c
    cccc1OC[C@@H](O)CNCCCc2cn(CCCCc3ccc(OC[C
    @@H](O)CNC(C)C)cc3)nn2; CC(C)NCC(O)COc1c
    cc(CCCCn2cc(nn2)CCCNCC(O)COc2ccccc2CCC)c
    c1    		 (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol
    12447
    A1AE3    		 1 C27 H27 N5 O5 InChI=1S/C27H27N5O5/c1-34
    -23-7-18(3-5-22(23)37-12-
    19-4-6-24(35-2)28-9-19)11
    -31-17-30-21-8-20(10-29-2
    5(21)31)26(33)32-13-27(14
    -32)15-36-16-27/h3-10,17H
    ,11-16H2,1-2H3;
    GGMUAMIMZXIUOT-UHFFFAOYSA-N    		 COc1ccc(cn1)COc2ccc(cc2OC)Cn3cnc4c3ncc(c
    4)C(=O)N5CC6(C5)COC6; COc1ccc(COc2ccc(Cn
    3cnc4cc(cnc34)C(=O)N5CC6(COC6)C5)cc2OC)c
    n1; O=C(N1CC2(C1)COC2)c1cc2ncn(Cc3ccc(OC
    c4ccc(OC)nc4)c(OC)c3)c2nc1    		 [3-({3-methoxy-4-[(6-methoxypyridin-3-yl)methoxy]phenyl}methyl)-3H-imidazo[4,5-b]pyridin-6-yl](2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
    12448
    A1AE6    		 4 C20 H25 F N4 O3 S InChI=1S/C20H25FN4O3S/c1-
    14-4-5-15(9-22-14)17-13-2
    9-18(24-17)10-23-20(27)16
    -3-2-7-25(11-16)19(26)12-
    28-8-6-21/h4-5,9,13,16H,2
    -3,6-8,10-12H2,1H3,(H,23,
    27)/t16-/m0/s1;
    BAIMYTMUAKNCDJ-INIZCTEOSA-N    		 Cc1ccc(cn1)c2csc(n2)CNC(=O)C3CCCN(C3)C(=
    O)COCCF; Cc1ccc(cn1)c2csc(n2)CNC(=O)[C@H
    ]3CCCN(C3)C(=O)COCCF; Cc1ccc(cn1)c2csc(C
    NC(=O)[CH]3CCCN(C3)C(=O)COCCF)n2; Cc1ccc
    (cn1)c2csc(CNC(=O)[C@H]3CCCN(C3)C(=O)COC
    CF)n2; O=C(NCc1nc(cs1)c1ccc(C)nc1)C1CCCN
    (C1)C(=O)COCCF    		 (3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide
    12449
    A1AE7    		 8 C20 H21 F N6 InChI=1S/C20H21FN6/c21-15
    -2-3-16-17(13-23-19(16)12
    -15)14-1-4-18-20(11-14)27
    (25-24-18)10-9-26-7-5-22-
    6-8-26/h1-4,11-13,22-23H,
    5-10H2;
    NWBMXBXPSXUWBK-UHFFFAOYSA-N    		 c1cc2c(cc1c3c[nH]c4c3ccc(c4)F)n(nn2)CCN5
    CCNCC5; Fc1ccc2c([nH]cc2c3ccc4nnn(CCN5CC
    NCC5)c4c3)c1; Fc1cc2[NH]cc(c3ccc4nnn(CCN
    5CCNCC5)c4c3)c2cc1    		 (6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole
    12450
    A1AE9    		 2 C31 H30 N4 O2 InChI=1S/C31H30N4O2/c1-22
    (36)34-21-30-28(19-32-35(
    30)20-27(34)18-23-8-3-2-4
    -9-23)24-13-15-26(16-14-2
    4)31(37)33-17-7-11-25-10-
    5-6-12-29(25)33/h2-6,8-10
    ,12-16,19,27H,7,11,17-18,
    20-21H2,1H3/t27-/m0/s1;
    ZYSMPORNWLASGT-MHZLTWQESA-N    		 CC(=O)N1Cc2c(cnn2CC1Cc3ccccc3)c4ccc(cc4)
    C(=O)N5CCCc6c5cccc6; CC(=O)N1Cc2c(cnn2CC
    1Cc1ccccc1)c1ccc(cc1)C(=O)N1CCCc2ccccc21
    ; CC(=O)N1Cc2c(cnn2C[C@@H]1Cc3ccccc3)c4c
    cc(cc4)C(=O)N5CCCc6c5cccc6; CC(=O)N1Cc2n
    (C[CH]1Cc3ccccc3)ncc2c4ccc(cc4)C(=O)N5CC
    Cc6ccccc56; CC(=O)N1Cc2n(C[C@@H]1Cc3cccc
    c3)ncc2c4ccc(cc4)C(=O)N5CCCc6ccccc56    		 (S)-1-(6-benzyl-3-(4-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)ethan-1-one;
    1-[(6S,8R)-6-benzyl-3-[4-(3,4-dihydroquinoline-1(2H)-carbonyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]ethan-1-one
    12451
    A1AEG    		 4 C30 H28 N4 O9 InChI=1S/C30H28N4O9/c1-16
    -20(12-19(34(39)40)13-24(
    16)42-4)30-32(17(2)22-6-5
    -7-26(35)33(22)30)27(36)1
    5-43-25-11-9-18-8-10-23(4
    1-3)21(14-28(37)38)29(18)
    31-25/h5-13,17,30H,14-15H
    2,1-4H3,(H,37,38)/t17-,30
    -/m0/s1;
    DVMANWDLYSAEPI-ZOKDDAQRSA-N    		 Cc1c(cc(cc1OC)[N+](=O)[O-])C2N(C(C3=CC=C
    C(=O)N23)C)C(=O)COc4ccc5ccc(c(c5n4)CC(=O
    )O)OC; COc1cc(cc([CH]2N([CH](C)C3=CC=CC(
    =O)N23)C(=O)COc4ccc5ccc(OC)c(CC(O)=O)c5n
    4)c1C)[N+]([O-])=O; COc1cc(cc([C@H]2N([C
    @@H](C)C3=CC=CC(=O)N23)C(=O)COc4ccc5ccc(
    OC)c(CC(O)=O)c5n4)c1C)[N+]([O-])=O; Cc1c
    (cc(cc1OC)[N+](=O)[O-])[C@H]2N([C@H](C3=
    CC=CC(=O)N23)C)C(=O)COc4ccc5ccc(c(c5n4)C
    C(=O)O)OC; O=C(O)Cc1c(OC)ccc2ccc(nc21)OC
    C(=O)N1C(C)C2=CC=CC(=O)N2C1c1cc(cc(OC)c1
    C)[N+]([O-])=O    		 (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid
    12452
    A1AEI    		 9 C13 H10 F3 N7 InChI=1S/C13H10F3N7/c1-7-
    6-10(13(14,15)16)19-12(17
    -7)18-9-5-3-2-4-8(9)11-20
    -22-23-21-11/h2-6H,1H3,(H
    ,17,18,19)(H,20,21,22,23);
    XXKGCSWBGJTTJM-UHFFFAOYSA-N    		 Cc1cc(nc(Nc2ccccc2c3[nH]nnn3)n1)C(F)(F)F
    ; Cc1cc(nc(n1)Nc2ccccc2c3[nH]nnn3)C(F)(F
    )F; FC(F)(F)c1cc(C)nc(n1)Nc1ccccc1c1nnn[
    NH]1    		 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine
    12453
    A1AEQ    		 8 C16 H17 N O S InChI=1S/C16H17NOS/c1-12(
    10-11-18)15-8-9-16(19-15)
    13-4-6-14(7-5-13)17(2)3/h
    4-11H,1-3H3/b12-10+;
    LFXNQATVKSUQRE-ZRDIBKRKSA-N    		 C/C(=C\C=O)c1ccc(s1)c1ccc(cc1)N(C)C; C/C
    (=C\C=O)/c1ccc(s1)c2ccc(cc2)N(C)C; CN(C)
    c1ccc(cc1)c2sc(cc2)C(C)=CC=O; CN(C)c1ccc
    (cc1)c2sc(cc2)\C(C)=C\C=O; CC(=CC=O)c1cc
    c(s1)c2ccc(cc2)N(C)C    		 (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal
    12454
    A1AER    		 5 C11 H8 F N5 InChI=1S/C11H8FN5/c12-8-2
    -3-9-7(6-13-10(9)5-8)1-4-
    11-14-16-17-15-11/h1-6,13
    H,(H,14,15,16,17);
    JDBSZVDIUIRSDG-UHFFFAOYSA-N    		 c1cc2c(cc1F)[nH]cc2C=Cc3[nH]nnn3; c1cc2c
    (cc1F)[nH]cc2/C=C/c3[nH]nnn3; Fc1ccc2c([
    nH]cc2\C=C\c3[nH]nnn3)c1; Fc1ccc2c([nH]c
    c2C=Cc3[nH]nnn3)c1; Fc1cc2[NH]cc(/C=C/c3
    nnn[NH]3)c2cc1    		 6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole
    12455
    A1AEU    		 2 C20 H25 F3 N2 O2 InChI=1S/C20H25F3N2O2/c1-
    24-17-3-2-15(20(21,22)23)
    12-16(17)18(26)19(24)6-8-
    25(9-7-19)13-14-4-10-27-1
    1-5-14/h2-3,12,14H,4-11,1
    3H2,1H3;
    CEQWEVQYPPXCIW-UHFFFAOYSA-N    		 CN1c2ccc(cc2C(=O)C13CCN(CC3)CC4CCOCC4)C(
    F)(F)F; FC(F)(F)c1cc2C(=O)C3(CCN(CC3)CC3
    CCOCC3)N(C)c2cc1    		 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one
    12456
    A1AEV    		 2 C21 H26 F3 N3 O3 InChI=1S/C21H26F3N3O3/c1-
    25-19(29)27(17-4-2-16(3-5
    -17)21(22,23)24)18(28)20(
    25)8-10-26(11-9-20)14-15-
    6-12-30-13-7-15/h2-5,15H,
    6-14H2,1H3;
    PGRXOQYVDWCZAG-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(cc1)N1C(=O)C2(CCN(CC2)CC2C
    COCC2)N(C)C1=O; CN1C(=O)N(C(=O)C12CCN(CC
    2)CC3CCOCC3)c4ccc(cc4)C(F)(F)F    		 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
    12457
    A1AEW    		 1 C16 H15 Br N4 O4 S InChI=1S/C16H15BrN4O4S/c1
    -24-13-8-7-11(17)9-12(13)
    21-10-16(18-20-21)19-26(2
    2,23)15-6-4-3-5-14(15)25-
    2/h3-10,19H,1-2H3;
    IRKPLEYYYNJDLW-UHFFFAOYSA-N    		 COc1ccccc1S(=O)(=O)Nc2cn(nn2)c3cc(ccc3OC
    )Br; COc1ccc(Br)cc1n2cc(N[S](=O)(=O)c3cc
    ccc3OC)nn2; COc1ccccc1S(=O)(=O)Nc1cn(nn1
    )c1cc(Br)ccc1OC    		 N-[(1M)-1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl]-2-methoxybenzene-1-sulfonamide
    12458
    A1AEY    		 8 C18 H18 N6 InChI=1S/C18H18N6/c1-2-4-
    16-14(3-1)15(10-20-16)13-
    5-6-17-18(9-13)24(22-21-1
    7)12-23-8-7-19-11-23/h1-6
    ,9-10,19-20H,7-8,11-12H2;
    SZWPVQXBHWXQID-UHFFFAOYSA-N    		 C1CN(CN1)Cn2nnc3ccc(cc23)c4c[nH]c5ccccc4
    5; c1ccc2c(c1)c(c[nH]2)c3ccc4c(c3)n(nn4)
    CN5CCNC5; c1cc(cc2c1nnn2CN1CCNC1)c1c[NH]
    c2ccccc21    		 (6M)-1-[(imidazolidin-1-yl)methyl]-6-(1H-indol-3-yl)-1H-benzotriazole
    12459
    A1AEZ    		 0 C61 H84 F N7 O16 InChI=1S/C61H84FN7O16/c1-
    13-47-61(8)54(84-59(77)85
    -61)35(4)49(67-79-24-16-1
    7-38-26-39(31-65-30-38)55
    (73)63-9)33(2)29-60(7,78-
    12)53(83-58-51(72)46(68(1
    0)11)25-34(3)80-58)36(5)5
    2(37(6)57(76)81-47)82-48(
    70)20-23-64-21-14-15-22-6
    6-44-28-45-41(27-43(44)62
    )50(71)42(56(74)75)32-69(
    45)40-18-19-40/h26-28,30-
    37,40,46-47,51-54,58,64,6
    6,72H,13-15,18-25,29H2,1-
    12H3,(H,63,73)(H,74,75)/b
    67-49+/t33-,34-,35+,36+,3
    7-,46+,47-,51-,52+,53-,54
    -,58+,60-,61-/m1/s1;
    QSECVVVQBOHDAY-AALAPHBKSA-N    		 CCC1C2(C(C(C(=NOCC#Cc3cc(cnc3)C(=O)NC)C(
    CC(C(C(C(C(C(=O)O1)C)OC(=O)CCNCCCCNc4cc5
    c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)C)OC7C(C(
    CC(O7)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C; CC
    [C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)CCNCCCC
    Nc2cc3N(C=C(C(O)=O)C(=O)c3cc2F)C4CC4)[C@
    H](C)[C@@H](O[C@@H]5O[C@H](C)C[C@@H]([C@
    H]5O)N(C)C)[C@@](C)(C[C@@H](C)\C(=N/OCC#
    Cc6cncc(c6)C(=O)NC)[C@H](C)[C@H]7OC(=O)O
    [C@]17C)OC; O=C(O)C1=CN(C2CC2)c2cc(NCCCC
    NCCC(=O)OC3C(C)C(=O)OC(CC)C4(C)OC(=O)OC4
    C(C)\C(=N\OCC#Cc4cc(cnc4)C(=O)NC)C(C)CC(
    C)(OC)C(OC4OC(C)CC(N(C)C)C4O)C3C)c(F)cc2
    C1=O; CC[CH]1OC(=O)[CH](C)[CH](OC(=O)CCN
    CCCCNc2cc3N(C=C(C(O)=O)C(=O)c3cc2F)C4CC4
    )[CH](C)[CH](O[CH]5O[CH](C)C[CH]([CH]5O)
    N(C)C)[C](C)(C[CH](C)C(=NOCC#Cc6cncc(c6)
    C(=O)NC)[CH](C)[CH]7OC(=O)O[C]17C)OC; CC
    [C@@H]1[C@@]2([C@@H]([C@H](/C(=N/OCC#Cc3
    cc(cnc3)C(=O)NC)/[C@@H](C[C@@]([C@@H]([C
    @H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCNCCCC
    Nc4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)C)O
    [C@H]7[C@@H]([C@H](C[C@H](O7)C)N(C)C)O)(
    C)OC)C)C)OC(=O)O2)C    		 1-cyclopropyl-7-[(4-{[3-({(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-14-[({3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-yn-1-yl}oxy)imino]-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl}oxy)-3-oxopropyl]amino}butyl)amino]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name);
    macrolone MCX-66
    12460
    A1AF5    		 8 C20 H22 N6 InChI=1S/C20H22N6/c1-2-4-
    18-16(3-1)17(14-22-18)15-
    5-6-19-20(13-15)26(24-23-
    19)12-11-25-9-7-21-8-10-2
    5/h1-6,13-14,21-22H,7-12H
    2;
    RBVHLCAWUKSDHN-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)c3ccc4c(c3)n(nn4)CCN
    5CCNCC5; C1CN(CCN1)CCn2nnc3ccc(cc23)c4c[
    nH]c5ccccc45; c1cc(cc2c1nnn2CCN1CCNCC1)c
    1c[NH]c2ccccc21    		 (6M)-6-(1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-1,2,3-benzotriazole
    12461
    A1AF7    		 6 C40 H77 O10 P InChI=1S/C40H77O10P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-40(44)50
    -38(36-49-51(45,46)48-34-
    37(42)33-41)35-47-39(43)3
    1-29-27-25-23-21-19-16-14
    -12-10-8-6-4-2/h17-18,37-
    38,41-42H,3-16,19-36H2,1-
    2H3,(H,45,46)/b18-17-/t37
    -,38-/m1/s1;
    PAZGBAOHGQRCBP-LLSCNKDYSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC
    [C@@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCC;
    CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    C[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC; CCC
    CCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[
    C@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC; CC
    CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O
    )OC(=O)CCCCCCCC=CCCCCCCCC; O=C(OC(COP(O)
    (=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCC
    CCC/C=C\CCCCCCCC    		 (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate
    12462
    A1AFC    		 1 C6 H9 N S InChI=1S/C6H9NS/c1-4-5(2)
    8-6(3)7-4/h1-3H3;
    BAMPVSWRQZNDQC-UHFFFAOYSA-N    		 Cc1sc(C)c(C)n1; Cc1c(sc(n1)C)C; Cc1sc(C)
    nc1C    		 2,4,5-trimethyl-1,3-thiazole
    12463
    A1AFH    		 4 C17 H19 N3 O4 InChI=1S/C17H19N3O4/c1-2-
    23-14-8-12-10(7-13(14)16(
    18)22)5-6-19-17(12)24-9-1
    1-3-4-15(21)20-11/h5-8,11
    H,2-4,9H2,1H3,(H2,18,22)(
    H,20,21)/t11-/m0/s1;
    WMLLUHFTFWNDCD-NSHDSACASA-N    		 NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1OCC;
    CCOc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N
    )=O; CCOc1cc2c(ccnc2OCC3CCC(=O)N3)cc1C(=
    O)N; CCOc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)c
    c1C(=O)N; CCOc1cc2c(OC[CH]3CCC(=O)N3)ncc
    c2cc1C(N)=O    		 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide
    12464
    A1AFO    		 4 C16 H17 N3 O4 InChI=1S/C16H17N3O4/c1-22
    -13-7-11-9(6-12(13)15(17)
    21)4-5-18-16(11)23-8-10-2
    -3-14(20)19-10/h4-7,10H,2
    -3,8H2,1H3,(H2,17,21)(H,1
    9,20)/t10-/m0/s1;
    DKOZNISSKWTTSU-JTQLQIEISA-N    		 COc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)
    =O; NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1O
    C; COc1cc2c(OC[CH]3CCC(=O)N3)nccc2cc1C(N
    )=O; COc1cc2c(ccnc2OCC3CCC(=O)N3)cc1C(=O
    )N; COc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1
    C(=O)N    		 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide
    12465
    A1AFY    		 1 C6 H10 O4 InChI=1S/C6H10O4/c1-6(10,
    2-3-7)4-5(8)9/h3,10H,2,4H
    2,1H3,(H,8,9)/t6-/m1/s1;
    CWCYSIIDJAVQSK-ZCFIWIBFSA-N    		 C[C](O)(CC=O)CC(O)=O; CC(O)(CC=O)CC(O)=O
    ; CC(CC=O)(CC(=O)O)O; C[C@@](CC=O)(CC(=O
    )O)O; C[C@@](O)(CC=O)CC(O)=O    		 (R)-mevaldehyde;
    (3R)-3-hydroxy-3-methyl-5-oxopentanoic acid
    12466
    A1AG1    		 13 C29 H38 Cl2 N4 O2 InChI=1S/C29H38Cl2N4O2/c1
    -19(2)14-26(28(36)33-17-2
    1-9-11-24(30)25(31)15-21)
    34-13-12-23(10-8-20-6-4-3
    -5-7-20)35-18-22(32)16-27
    (35)29(34)37/h3-7,9,11,15
    ,19,22-23,26-27H,8,10,12-
    14,16-18,32H2,1-2H3,(H,33
    ,36)/t22-,23-,26-,27+/m1/
    s1;
    OUNCNWBQPZONLJ-CIMSBJEKSA-N    		 CC(C)C[C@H](C(=O)NCc1ccc(c(c1)Cl)Cl)N2CC
    [C@H](N3C[C@@H](C[C@H]3C2=O)N)CCc4ccccc4
    ; Clc1ccc(cc1Cl)CNC(=O)C(CC(C)C)N1CCC(CC
    c2ccccc2)N2CC(N)CC2C1=O; CC(C)C[CH](N1CC
    [CH](CCc2ccccc2)N3C[CH](N)C[CH]3C1=O)C(=
    O)NCc4ccc(Cl)c(Cl)c4; CC(C)CC(C(=O)NCc1c
    cc(c(c1)Cl)Cl)N2CCC(N3CC(CC3C2=O)N)CCc4c
    cccc4; CC(C)C[C@@H](N1CC[C@@H](CCc2ccccc
    2)N3C[C@H](N)C[C@H]3C1=O)C(=O)NCc4ccc(Cl
    )c(Cl)c4    		 (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide
    12467
    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
    12468
    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
    12469
    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
    12470
    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
    12471
    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
    12472
    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
    12473
    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
    12474
    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
    12475
    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
    12476
    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
    12477
    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
    12478
    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
    12479
    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
    12480
    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
    12481
    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
    12482
    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
    12483
    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
    12484
    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
    12485
    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
    12486
    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
    12487
    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
    12488
    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
    12489
    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
    12490
    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
    12491
    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
    12492
    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
    12493
    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
    12494
    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
    12495
    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
    12496
    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
    12497
    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
    12498
    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
    12499
    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
    12500
    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
    12501
    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
    12502
    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
    12503
    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
    12504
    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
    12505
    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
    12506
    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
    12507
    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
    12508
    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
    12509
    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
    12510
    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
    12511
    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
    12512
    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
    12513
    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
    12514
    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
    12515
    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
    12516
    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
    12517
    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
    12518
    A1AIJ    		 1 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
    12519
    A1AIK    		 1 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
    12520
    A1AIL    		 1 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
    12521
    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
    12522
    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
    12523
    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
    12524
    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
    12525
    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
    12526
    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
    12527
    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
    12528
    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
    12529
    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
    12530
    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
    12531
    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
    12532
    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
    12533
    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
    12534
    A1AJ5    		 2 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
    12535
    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
    12536
    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
    12537
    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
    12538
    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
    12539
    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
    12540
    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
    12541
    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
    12542
    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
    12543
    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
    12544
    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
    12545
    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
    12546
    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
    12547
    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
    12548
    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
    12549
    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
    12550
    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
    12551
    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
    12552
    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
    12553
    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
    12554
    A1AJS    		 1 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
    12555
    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
    12556
    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
    12557
    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
    12558
    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
    12559
    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
    12560
    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
    12561
    A1AJZ    		 2 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
    12562
    A1AK0    		 2 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
    12563
    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
    12564
    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
    12565
    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
    12566
    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
    12567
    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
    12568
    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
    12569
    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
    12570
    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
    12571
    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
    12572
    A1AKB    		 2 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
    12573
    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
    12574
    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
    12575
    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
    12576
    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
    12577
    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
    12578
    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
    12579
    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
    12580
    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
    12581
    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
    12582
    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
    12583
    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
    12584
    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
    12585
    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
    12586
    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
    12587
    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
    12588
    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
    12589
    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
    12590
    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
    12591
    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
    12592
    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
    12593
    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
    12594
    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
    12595
    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
    12596
    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
    12597
    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
    12598
    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
    12599
    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
    12600
    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
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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