smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000009980894 1072612031 /nfs/dbraw/zinc/61/20/31/1072612031.db2.gz XUBOOCSKBXFXCO-SFHVURJKSA-N 1 0 437.585 -0.384 20 0 IBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000009980897 1072611816 /nfs/dbraw/zinc/61/18/16/1072611816.db2.gz XUBOOCSKBXFXCO-GOSISDBHSA-N 1 0 437.585 -0.384 20 0 IBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000010053981 1072613269 /nfs/dbraw/zinc/61/32/69/1072613269.db2.gz NGVQTUCMLQMYMN-UHFFFAOYSA-N 1 0 441.554 -0.075 20 0 IBADRO CCN(CC)S(=O)(=O)N1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000010078077 1074430762 /nfs/dbraw/zinc/43/07/62/1074430762.db2.gz VTRVHZJYKPHEKU-GOSISDBHSA-N 1 0 433.619 -0.336 20 0 IBADRO CCN(CC)S(=O)(=O)N1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000010078082 1074430791 /nfs/dbraw/zinc/43/07/91/1074430791.db2.gz VTRVHZJYKPHEKU-SFHVURJKSA-N 1 0 433.619 -0.336 20 0 IBADRO Cn1c2ncn(CCC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)c2c(=O)n(C)c1=O ZINC000011533840 1073080773 /nfs/dbraw/zinc/08/07/73/1073080773.db2.gz BYQXQNJTETUVMC-UHFFFAOYSA-N 1 0 440.508 -0.713 20 0 IBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nc(N)cc(N)[nH+]2)CC1 ZINC000011770405 1073080813 /nfs/dbraw/zinc/08/08/13/1073080813.db2.gz BHPWIVVUKMAKLT-UHFFFAOYSA-N 1 0 427.512 -0.129 20 0 IBADRO CNC(=O)C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000012334766 1073069425 /nfs/dbraw/zinc/06/94/25/1073069425.db2.gz DJFFVDVQQQUOFC-UHFFFAOYSA-N 1 0 427.527 -0.418 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000013605829 562997278 /nfs/dbraw/zinc/99/72/78/562997278.db2.gz VQMNJURNUPNOLE-ROUUACIJSA-N 1 0 425.489 -0.998 20 0 IBADRO Cn1c2ncn(CCC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)c2c(=O)n(C)c1=O ZINC000014521149 1073249791 /nfs/dbraw/zinc/24/97/91/1073249791.db2.gz UGGUKVDJPJNFMF-UHFFFAOYSA-N 1 0 426.481 -0.391 20 0 IBADRO C[NH+](C)CCNC(=S)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000015153137 1074454908 /nfs/dbraw/zinc/45/49/08/1074454908.db2.gz UILQIIJNICBEFA-UHFFFAOYSA-N 1 0 435.597 -0.924 20 0 IBADRO C[NH+](C)CCCNC(=S)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000015153229 1074454939 /nfs/dbraw/zinc/45/49/39/1074454939.db2.gz CQCYYKIBOKHQRL-UHFFFAOYSA-N 1 0 449.624 -0.534 20 0 IBADRO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000015297837 1072090703 /nfs/dbraw/zinc/09/07/03/1072090703.db2.gz DUFFCUVFUGUQQH-UHFFFAOYSA-N 1 0 437.585 -0.384 20 0 IBADRO C[NH+](C)CCNC(=S)NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000016238512 1072656160 /nfs/dbraw/zinc/65/61/60/1072656160.db2.gz XCLLPIGOWVXXMV-UHFFFAOYSA-N 1 0 432.528 -0.032 20 0 IBADRO CCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000016375153 1070840910 /nfs/dbraw/zinc/84/09/10/1070840910.db2.gz LZIRIOCGZWSMPQ-IAGOWNOFSA-N 1 0 432.587 -0.915 20 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O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000020955800 1073084798 /nfs/dbraw/zinc/08/47/98/1073084798.db2.gz ZQYMPXZSYZMGCY-IBGZPJMESA-N 1 0 442.626 -0.058 20 0 IBADRO C[NH+](C)CCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000023102458 1071132096 /nfs/dbraw/zinc/13/20/96/1071132096.db2.gz AQYMINISVBFITH-UHFFFAOYSA-N 1 0 429.568 -0.232 20 0 IBADRO CC[NH+]1CCN(CC(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1 ZINC000023467836 1073086941 /nfs/dbraw/zinc/08/69/41/1073086941.db2.gz ASQXDFUXWRYVLF-UHFFFAOYSA-N 1 0 444.536 -0.216 20 0 IBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000023700667 1071095621 /nfs/dbraw/zinc/09/56/21/1071095621.db2.gz ORKPHFGRHBRINS-OAHLLOKOSA-N 1 0 427.523 -0.007 20 0 IBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000023700670 1073086750 /nfs/dbraw/zinc/08/67/50/1073086750.db2.gz ORKPHFGRHBRINS-HNNXBMFYSA-N 1 0 427.523 -0.007 20 0 IBADRO Cn1c2ncn(CC[NH+]3CCC(NS(=O)(=O)c4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000025049056 1073091056 /nfs/dbraw/zinc/09/10/56/1073091056.db2.gz QXWAEQRRTRYOQQ-UHFFFAOYSA-N 1 0 446.533 -0.123 20 0 IBADRO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[NH+]2CCC(C(N)=O)CC2)c(=O)[nH]c1=O ZINC000025526000 1071430984 /nfs/dbraw/zinc/43/09/84/1071430984.db2.gz FKTSCAIJASRIGW-CYBMUJFWSA-N 1 0 438.529 -0.516 20 0 IBADRO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[NH+]2CCC(C(N)=O)CC2)c(=O)[nH]c1=O ZINC000025526005 1071430963 /nfs/dbraw/zinc/43/09/63/1071430963.db2.gz FKTSCAIJASRIGW-ZDUSSCGKSA-N 1 0 438.529 -0.516 20 0 IBADRO CNC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000025755198 1070962600 /nfs/dbraw/zinc/96/26/00/1070962600.db2.gz YCSQIYYFTVTVDY-IBGZPJMESA-N 1 0 430.505 -0.045 20 0 IBADRO CNC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000025755201 1070962876 /nfs/dbraw/zinc/96/28/76/1070962876.db2.gz YCSQIYYFTVTVDY-LJQANCHMSA-N 1 0 430.505 -0.045 20 0 IBADRO COCCNC(=O)C1CC[NH+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000025809668 1071458391 /nfs/dbraw/zinc/45/83/91/1071458391.db2.gz POVBWNCAPRFAHB-UHFFFAOYSA-N 1 0 425.574 -0.480 20 0 IBADRO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(c3ncnc4c3cnn4C)CC1)c(=O)n2C ZINC000025935639 1073092460 /nfs/dbraw/zinc/09/24/60/1073092460.db2.gz JXNOOBIATHJUAC-UHFFFAOYSA-N 1 0 438.496 -0.677 20 0 IBADRO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000028901819 1073095751 /nfs/dbraw/zinc/09/57/51/1073095751.db2.gz UOSJREVXRBUUHF-UHFFFAOYSA-N 1 0 438.550 -0.072 20 0 IBADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCC(C(N)=O)CC3)CC2)c1 ZINC000028927664 1071804221 /nfs/dbraw/zinc/80/42/21/1071804221.db2.gz HCDOUACCOSUBBM-UHFFFAOYSA-N 1 0 436.534 -0.081 20 0 IBADRO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000028927861 1073383636 /nfs/dbraw/zinc/38/36/36/1073383636.db2.gz MBRNTEQJDMAAIY-OAHLLOKOSA-N 1 0 425.507 -0.253 20 0 IBADRO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000028927862 1073095429 /nfs/dbraw/zinc/09/54/29/1073095429.db2.gz MBRNTEQJDMAAIY-HNNXBMFYSA-N 1 0 425.507 -0.253 20 0 IBADRO CNC(=O)C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000029164827 1073096615 /nfs/dbraw/zinc/09/66/15/1073096615.db2.gz GRURZVGJBDRKCO-UHFFFAOYSA-N 1 0 438.550 -0.014 20 0 IBADRO Cn1cc(S(=O)(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000029231484 1073096487 /nfs/dbraw/zinc/09/64/87/1073096487.db2.gz BOCRZVOXJULURE-UHFFFAOYSA-N 1 0 435.550 -0.430 20 0 IBADRO CC[NH+]1CCC(NC(=O)Cn2c(Br)nc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000030028220 1072587906 /nfs/dbraw/zinc/58/79/06/1072587906.db2.gz WFYQDCGITCFVFR-UHFFFAOYSA-N 1 0 427.303 -0.203 20 0 IBADRO C[NH+]1CCN(c2ccc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cn2)CC1 ZINC000030030974 1072588071 /nfs/dbraw/zinc/58/80/71/1072588071.db2.gz KFUXVXWJXZZBOF-OAHLLOKOSA-N 1 0 434.522 -0.063 20 0 IBADRO C[NH+]1CCN(c2ccc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cn2)CC1 ZINC000030030975 1072588004 /nfs/dbraw/zinc/58/80/04/1072588004.db2.gz KFUXVXWJXZZBOF-HNNXBMFYSA-N 1 0 434.522 -0.063 20 0 IBADRO CCCS(=O)(=O)NC1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000030135730 1073099043 /nfs/dbraw/zinc/09/90/43/1073099043.db2.gz UHCPECPIBRHOJM-UHFFFAOYSA-N 1 0 426.543 -0.382 20 0 IBADRO Cn1c2ncn(CC(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000031240694 1071319781 /nfs/dbraw/zinc/31/97/81/1071319781.db2.gz BYDVKZJFWGAFKR-UHFFFAOYSA-N 1 0 439.520 -0.238 20 0 IBADRO Cn1cnc2c1c(=O)n(CC(=O)NCCC[NH+]1CCN(c3ccccc3)CC1)c(=O)n2C ZINC000031241035 1071319666 /nfs/dbraw/zinc/31/96/66/1071319666.db2.gz WRNZLHKHBSGCNE-UHFFFAOYSA-N 1 0 439.520 -0.238 20 0 IBADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000031459409 1071320493 /nfs/dbraw/zinc/32/04/93/1071320493.db2.gz CNDLJTVCBVPZAC-DOTOQJQBSA-N 1 0 436.534 -0.048 20 0 IBADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000031459416 1071320259 /nfs/dbraw/zinc/32/02/59/1071320259.db2.gz CNDLJTVCBVPZAC-NVXWUHKLSA-N 1 0 436.534 -0.048 20 0 IBADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000031459423 1071320382 /nfs/dbraw/zinc/32/03/82/1071320382.db2.gz CNDLJTVCBVPZAC-RDJZCZTQSA-N 1 0 436.534 -0.048 20 0 IBADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000031459430 1071320367 /nfs/dbraw/zinc/32/03/67/1071320367.db2.gz CNDLJTVCBVPZAC-WBVHZDCISA-N 1 0 436.534 -0.048 20 0 IBADRO Cn1c2ncn(CCC(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)c2c(=O)n(C)c1=O ZINC000031462209 1071320110 /nfs/dbraw/zinc/32/01/10/1071320110.db2.gz ASQJCQDYFYAWMG-UHFFFAOYSA-N 1 0 441.492 -0.246 20 0 IBADRO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)c(=O)n2C ZINC000031466007 1071320463 /nfs/dbraw/zinc/32/04/63/1071320463.db2.gz WVGDDYOKLLKNTQ-UHFFFAOYSA-N 1 0 427.465 -0.636 20 0 IBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000032065089 1073103659 /nfs/dbraw/zinc/10/36/59/1073103659.db2.gz FVLYNBIBGFFSHN-WOJBJXKFSA-N 1 0 448.589 -0.044 20 0 IBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000032065090 1073103642 /nfs/dbraw/zinc/10/36/42/1073103642.db2.gz FVLYNBIBGFFSHN-VQTJNVASSA-N 1 0 448.589 -0.044 20 0 IBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000032065091 1073103667 /nfs/dbraw/zinc/10/36/67/1073103667.db2.gz FVLYNBIBGFFSHN-UXHICEINSA-N 1 0 448.589 -0.044 20 0 IBADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000032065092 1073103615 /nfs/dbraw/zinc/10/36/15/1073103615.db2.gz FVLYNBIBGFFSHN-PMACEKPBSA-N 1 0 448.589 -0.044 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)C1 ZINC000032269403 1072862974 /nfs/dbraw/zinc/86/29/74/1072862974.db2.gz GUSMBTMPWXKWKQ-ZDUSSCGKSA-N 1 0 426.495 -0.285 20 0 IBADRO 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429.518 -0.233 20 0 IBADRO NS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000429474754 1073362135 /nfs/dbraw/zinc/36/21/35/1073362135.db2.gz MZBJPADQECBMMU-UHFFFAOYSA-N 1 0 425.511 -0.156 20 0 IBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000429478204 1073363267 /nfs/dbraw/zinc/36/32/67/1073363267.db2.gz RZKISIUSFBIPNQ-KRWDZBQOSA-N 1 0 446.552 -0.352 20 0 IBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000429478205 1073363367 /nfs/dbraw/zinc/36/33/67/1073363367.db2.gz RZKISIUSFBIPNQ-QGZVFWFLSA-N 1 0 446.552 -0.352 20 0 IBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000429478759 1073362898 /nfs/dbraw/zinc/36/28/98/1073362898.db2.gz ZDFGMAZMKRCVNL-HNNXBMFYSA-N 1 0 437.566 -0.374 20 0 IBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000429478760 1073363021 /nfs/dbraw/zinc/36/30/21/1073363021.db2.gz ZDFGMAZMKRCVNL-OAHLLOKOSA-N 1 0 437.566 -0.374 20 0 IBADRO 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C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429713289 1072761502 /nfs/dbraw/zinc/76/15/02/1072761502.db2.gz DKLFKTLQTMWYIW-IAOVAPTHSA-N 1 0 446.595 -0.169 20 0 IBADRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429713292 1072761414 /nfs/dbraw/zinc/76/14/14/1072761414.db2.gz DKLFKTLQTMWYIW-JQFCIGGWSA-N 1 0 446.595 -0.169 20 0 IBADRO C[C@H]([NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429713293 1072761378 /nfs/dbraw/zinc/76/13/78/1072761378.db2.gz DKLFKTLQTMWYIW-RRQGHBQHSA-N 1 0 446.595 -0.169 20 0 IBADRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429713297 1072761220 /nfs/dbraw/zinc/76/12/20/1072761220.db2.gz DKLFKTLQTMWYIW-XKQJLSEDSA-N 1 0 446.595 -0.169 20 0 IBADRO CCOC(=O)c1ncn(C2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1N ZINC000429721652 1072784458 /nfs/dbraw/zinc/78/44/58/1072784458.db2.gz KFPZLEQVHRWDFB-UHFFFAOYSA-N 1 0 444.496 -0.274 20 0 IBADRO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1C ZINC000429776491 1073314815 /nfs/dbraw/zinc/31/48/15/1073314815.db2.gz SMNHGEUHRDLEDW-GOSISDBHSA-N 1 0 442.520 0.283 20 0 IBADRO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1C ZINC000429776492 1072424966 /nfs/dbraw/zinc/42/49/66/1072424966.db2.gz SMNHGEUHRDLEDW-SFHVURJKSA-N 1 0 442.520 0.283 20 0 IBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000429783079 1072425714 /nfs/dbraw/zinc/42/57/14/1072425714.db2.gz JUDCWMAWCYOEIF-GOSISDBHSA-N 1 0 442.520 0.317 20 0 IBADRO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000429783080 1073303845 /nfs/dbraw/zinc/30/38/45/1073303845.db2.gz JUDCWMAWCYOEIF-SFHVURJKSA-N 1 0 442.520 0.317 20 0 IBADRO CC(C)[N@H+](C)CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429786936 1072426155 /nfs/dbraw/zinc/42/61/55/1072426155.db2.gz GIPKOIFQWBQCBT-HNNXBMFYSA-N 1 0 442.538 -0.173 20 0 IBADRO CC(C)[N@H+](C)CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429786939 1072426170 /nfs/dbraw/zinc/42/61/70/1072426170.db2.gz GIPKOIFQWBQCBT-OAHLLOKOSA-N 1 0 442.538 -0.173 20 0 IBADRO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000429794124 1072424558 /nfs/dbraw/zinc/42/45/58/1072424558.db2.gz UXFQLPVCKBSUHJ-GOSISDBHSA-N 1 0 428.493 -0.025 20 0 IBADRO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000429794126 1072424538 /nfs/dbraw/zinc/42/45/38/1072424538.db2.gz UXFQLPVCKBSUHJ-SFHVURJKSA-N 1 0 428.493 -0.025 20 0 IBADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429796286 1071519027 /nfs/dbraw/zinc/51/90/27/1071519027.db2.gz OEVYTAGVVBNNLC-DZGCQCFKSA-N 1 0 442.538 -0.173 20 0 IBADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429796287 1071518901 /nfs/dbraw/zinc/51/89/01/1071518901.db2.gz OEVYTAGVVBNNLC-HIFRSBDPSA-N 1 0 442.538 -0.173 20 0 IBADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429796288 1071519203 /nfs/dbraw/zinc/51/92/03/1071519203.db2.gz OEVYTAGVVBNNLC-UKRRQHHQSA-N 1 0 442.538 -0.173 20 0 IBADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429796289 1071519128 /nfs/dbraw/zinc/51/91/28/1071519128.db2.gz OEVYTAGVVBNNLC-ZFWWWQNUSA-N 1 0 442.538 -0.173 20 0 IBADRO CN(CC[NH+](C)C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429807317 1071475732 /nfs/dbraw/zinc/47/57/32/1071475732.db2.gz INOJBQZGXFXYLY-AWEZNQCLSA-N 1 0 428.511 -0.610 20 0 IBADRO CN(CC[NH+](C)C)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429807318 1071475566 /nfs/dbraw/zinc/47/55/66/1071475566.db2.gz INOJBQZGXFXYLY-CQSZACIVSA-N 1 0 428.511 -0.610 20 0 IBADRO CC[N@H+](C)CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429807725 1071475697 /nfs/dbraw/zinc/47/56/97/1071475697.db2.gz ZDCQXJJCMNNPTD-AWEZNQCLSA-N 1 0 428.511 -0.562 20 0 IBADRO CC[N@H+](C)CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429807726 1071475539 /nfs/dbraw/zinc/47/55/39/1071475539.db2.gz ZDCQXJJCMNNPTD-CQSZACIVSA-N 1 0 428.511 -0.562 20 0 IBADRO COc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)OCC(=O)N2 ZINC000429816729 1071500177 /nfs/dbraw/zinc/50/01/77/1071500177.db2.gz GZIPGBQASSPSRH-UHFFFAOYSA-N 1 0 438.506 -0.045 20 0 IBADRO COc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000429817775 1071501407 /nfs/dbraw/zinc/50/14/07/1071501407.db2.gz OBJCNYKRHMMFNA-UHFFFAOYSA-N 1 0 440.522 -0.181 20 0 IBADRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000429821343 1071504990 /nfs/dbraw/zinc/50/49/90/1071504990.db2.gz PYVVGXPGWJCYHY-UHFFFAOYSA-N 1 0 428.486 -0.051 20 0 IBADRO COc1cc2c(cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)OCC(=O)N2 ZINC000429864982 1071565654 /nfs/dbraw/zinc/56/56/54/1071565654.db2.gz JJCZFWDYDOPUAC-GFCCVEGCSA-N 1 0 426.495 -0.108 20 0 IBADRO COc1cc2c(cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)OCC(=O)N2 ZINC000429864985 1071565560 /nfs/dbraw/zinc/56/55/60/1071565560.db2.gz JJCZFWDYDOPUAC-LBPRGKRZSA-N 1 0 426.495 -0.108 20 0 IBADRO COc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)OCC(=O)N2 ZINC000429872132 1071570481 /nfs/dbraw/zinc/57/04/81/1071570481.db2.gz MOXYZOOYVJGXMA-AWEZNQCLSA-N 1 0 438.506 -0.047 20 0 IBADRO COc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)OCC(=O)N2 ZINC000429872135 1071570264 /nfs/dbraw/zinc/57/02/64/1071570264.db2.gz MOXYZOOYVJGXMA-CQSZACIVSA-N 1 0 438.506 -0.047 20 0 IBADRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000429895695 1071575314 /nfs/dbraw/zinc/57/53/14/1071575314.db2.gz MPQREXWCDFJITG-UHFFFAOYSA-N 1 0 437.522 -0.700 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1C ZINC000429912009 1071575871 /nfs/dbraw/zinc/57/58/71/1071575871.db2.gz UOMAYWJSLNQGAM-KRWDZBQOSA-N 1 0 440.566 -0.211 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCC2(O)CC[NH+](C)CC2)cc1C ZINC000429912014 1071575914 /nfs/dbraw/zinc/57/59/14/1071575914.db2.gz UOMAYWJSLNQGAM-QGZVFWFLSA-N 1 0 440.566 -0.211 20 0 IBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c2)CC1 ZINC000429922178 1071578984 /nfs/dbraw/zinc/57/89/84/1071578984.db2.gz WNVWFTOVWRNTPE-UHFFFAOYSA-N 1 0 440.570 -0.284 20 0 IBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000429922350 1071578952 /nfs/dbraw/zinc/57/89/52/1071578952.db2.gz KWYHANIQSIMDQJ-UHFFFAOYSA-N 1 0 440.570 -0.679 20 0 IBADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)CC1 ZINC000429924782 1071579502 /nfs/dbraw/zinc/57/95/02/1071579502.db2.gz ODTYHYSNVLJYLK-UHFFFAOYSA-N 1 0 429.547 -0.573 20 0 IBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000429927749 1071578424 /nfs/dbraw/zinc/57/84/24/1071578424.db2.gz SHWKPMBVDRKPQT-UHFFFAOYSA-N 1 0 442.542 -0.536 20 0 IBADRO Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c(OCC[NH+](C)C)c1 ZINC000429962182 1071586784 /nfs/dbraw/zinc/58/67/84/1071586784.db2.gz MNSWUJNZYKEHHZ-UHFFFAOYSA-N 1 0 429.543 -0.177 20 0 IBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000429967711 1071586326 /nfs/dbraw/zinc/58/63/26/1071586326.db2.gz XYFOZBCWCJQWTM-UHFFFAOYSA-N 1 0 442.542 -0.558 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1C ZINC000429981361 1071588364 /nfs/dbraw/zinc/58/83/64/1071588364.db2.gz XKZKSZDQPOGHJF-AEFFLSMTSA-N 1 0 439.582 -0.422 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1C ZINC000429981362 1071588601 /nfs/dbraw/zinc/58/86/01/1071588601.db2.gz XKZKSZDQPOGHJF-FUHWJXTLSA-N 1 0 439.582 -0.422 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1C ZINC000429981363 1071588629 /nfs/dbraw/zinc/58/86/29/1071588629.db2.gz XKZKSZDQPOGHJF-SJLPKXTDSA-N 1 0 439.582 -0.422 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1C ZINC000429981364 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O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000434569205 1071786851 /nfs/dbraw/zinc/78/68/51/1071786851.db2.gz DTPDDNHKJDYQKB-OALUTQOASA-N 1 0 425.489 -0.094 20 0 IBADRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)C(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000434569206 1071786641 /nfs/dbraw/zinc/78/66/41/1071786641.db2.gz DTPDDNHKJDYQKB-RTBURBONSA-N 1 0 425.489 -0.094 20 0 IBADRO O=C(Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)C(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000434572678 1071786835 /nfs/dbraw/zinc/78/68/35/1071786835.db2.gz GBOQYUXILIHRPK-NHCUHLMSSA-N 1 0 439.516 -0.051 20 0 IBADRO O=C(Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000434572680 1071786712 /nfs/dbraw/zinc/78/67/12/1071786712.db2.gz GBOQYUXILIHRPK-OYRHEFFESA-N 1 0 439.516 -0.051 20 0 IBADRO O=C(Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000434572682 1071786667 /nfs/dbraw/zinc/78/66/67/1071786667.db2.gz GBOQYUXILIHRPK-SFTDATJTSA-N 1 0 439.516 -0.051 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cn1 ZINC000434576252 1071788541 /nfs/dbraw/zinc/78/85/41/1071788541.db2.gz OAWSXVRZAIAKTJ-DOMZBBRYSA-N 1 0 448.446 -0.339 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cn1 ZINC000434576257 1071788499 /nfs/dbraw/zinc/78/84/99/1071788499.db2.gz OAWSXVRZAIAKTJ-IUODEOHRSA-N 1 0 448.446 -0.339 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cn1 ZINC000434576258 1071788247 /nfs/dbraw/zinc/78/82/47/1071788247.db2.gz OAWSXVRZAIAKTJ-SWLSCSKDSA-N 1 0 448.446 -0.339 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cn1 ZINC000434576260 1071788548 /nfs/dbraw/zinc/78/85/48/1071788548.db2.gz OAWSXVRZAIAKTJ-WFASDCNBSA-N 1 0 448.446 -0.339 20 0 IBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCC3([NH+](C)C)CCOCC3)n2)c1C ZINC000434582907 1071789127 /nfs/dbraw/zinc/78/91/27/1071789127.db2.gz DURJJTDLETWSLQ-UHFFFAOYSA-N 1 0 445.524 0.512 20 0 IBADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)ccc1Cl ZINC000434584050 1071789634 /nfs/dbraw/zinc/78/96/34/1071789634.db2.gz HYLOREOTEUFXSS-HOTGVXAUSA-N 1 0 426.901 -0.086 20 0 IBADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)ccc1Cl ZINC000434584051 1071789654 /nfs/dbraw/zinc/78/96/54/1071789654.db2.gz HYLOREOTEUFXSS-HZPDHXFCSA-N 1 0 426.901 -0.086 20 0 IBADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)ccc1Cl ZINC000434584053 1071789509 /nfs/dbraw/zinc/78/95/09/1071789509.db2.gz HYLOREOTEUFXSS-IYBDPMFKSA-N 1 0 426.901 -0.086 20 0 IBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1OC ZINC000434587899 1071787160 /nfs/dbraw/zinc/78/71/60/1071787160.db2.gz OGDGCVRXYWHNMG-AWEZNQCLSA-N 1 0 428.511 -0.231 20 0 IBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)ccc1OC ZINC000434587900 1071787362 /nfs/dbraw/zinc/78/73/62/1071787362.db2.gz OGDGCVRXYWHNMG-CQSZACIVSA-N 1 0 428.511 -0.231 20 0 IBADRO CC[NH+](CC)CCCNC(=O)C1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000434588430 1071787298 /nfs/dbraw/zinc/78/72/98/1071787298.db2.gz UWFGJUVBZAJDEY-UHFFFAOYSA-N 1 0 436.557 -0.591 20 0 IBADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434590231 1071787895 /nfs/dbraw/zinc/78/78/95/1071787895.db2.gz XHZROQHLMDHAOT-CABCVRRESA-N 1 0 440.522 -0.089 20 0 IBADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434590232 1071787785 /nfs/dbraw/zinc/78/77/85/1071787785.db2.gz XHZROQHLMDHAOT-GJZGRUSLSA-N 1 0 440.522 -0.089 20 0 IBADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434590233 1071787869 /nfs/dbraw/zinc/78/78/69/1071787869.db2.gz XHZROQHLMDHAOT-HUUCEWRRSA-N 1 0 440.522 -0.089 20 0 IBADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434590234 1071787937 /nfs/dbraw/zinc/78/79/37/1071787937.db2.gz XHZROQHLMDHAOT-LSDHHAIUSA-N 1 0 440.522 -0.089 20 0 IBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000434591457 1071788511 /nfs/dbraw/zinc/78/85/11/1071788511.db2.gz KMLKIBMOUOEKTL-INIZCTEOSA-N 1 0 445.524 0.512 20 0 IBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000434591458 1073333040 /nfs/dbraw/zinc/33/30/40/1073333040.db2.gz KMLKIBMOUOEKTL-MRXNPFEDSA-N 1 0 445.524 0.512 20 0 IBADRO COc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434592244 1071789969 /nfs/dbraw/zinc/78/99/69/1071789969.db2.gz UGVHXKNDUNRHTQ-AWEZNQCLSA-N 1 0 440.522 -0.089 20 0 IBADRO COc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434592245 1071790689 /nfs/dbraw/zinc/79/06/89/1071790689.db2.gz UGVHXKNDUNRHTQ-CQSZACIVSA-N 1 0 440.522 -0.089 20 0 IBADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 ZINC000434597526 1071791491 /nfs/dbraw/zinc/79/14/91/1071791491.db2.gz QWZBXKSLWPBAPT-AWEZNQCLSA-N 1 0 428.511 -0.231 20 0 IBADRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 ZINC000434597528 1071791176 /nfs/dbraw/zinc/79/11/76/1071791176.db2.gz QWZBXKSLWPBAPT-CQSZACIVSA-N 1 0 428.511 -0.231 20 0 IBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000434598835 1071791288 /nfs/dbraw/zinc/79/12/88/1071791288.db2.gz VKUKEVRLNVXYAF-AWEZNQCLSA-N 1 0 442.538 -0.032 20 0 IBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000434598836 1071791472 /nfs/dbraw/zinc/79/14/72/1071791472.db2.gz VKUKEVRLNVXYAF-CQSZACIVSA-N 1 0 442.538 -0.032 20 0 IBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000434599536 1071791305 /nfs/dbraw/zinc/79/13/05/1071791305.db2.gz SCZUQJABHLRDAM-CVEARBPZSA-N 1 0 431.493 -0.137 20 0 IBADRO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000434599537 1071791340 /nfs/dbraw/zinc/79/13/40/1071791340.db2.gz SCZUQJABHLRDAM-HOTGVXAUSA-N 1 0 431.493 -0.137 20 0 IBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000434599538 1071791446 /nfs/dbraw/zinc/79/14/46/1071791446.db2.gz SCZUQJABHLRDAM-HZPDHXFCSA-N 1 0 431.493 -0.137 20 0 IBADRO CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000434599539 1071791817 /nfs/dbraw/zinc/79/18/17/1071791817.db2.gz SCZUQJABHLRDAM-JKSUJKDBSA-N 1 0 431.493 -0.137 20 0 IBADRO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434604157 1071790288 /nfs/dbraw/zinc/79/02/88/1071790288.db2.gz CEHOXIHUHAVFBE-HNNXBMFYSA-N 1 0 440.522 -0.087 20 0 IBADRO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434604159 1071790170 /nfs/dbraw/zinc/79/01/70/1071790170.db2.gz CEHOXIHUHAVFBE-OAHLLOKOSA-N 1 0 440.522 -0.087 20 0 IBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)ccc1OC ZINC000434607200 1071790092 /nfs/dbraw/zinc/79/00/92/1071790092.db2.gz NVBPYLWUXLPPLR-UHFFFAOYSA-N 1 0 428.511 -0.230 20 0 IBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)CC1 ZINC000434662397 1071793845 /nfs/dbraw/zinc/79/38/45/1071793845.db2.gz IDWOQWOTRULGGV-UHFFFAOYSA-N 1 0 441.554 -0.326 20 0 IBADRO COc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434663962 1071793728 /nfs/dbraw/zinc/79/37/28/1071793728.db2.gz RNSBRPLNVMRWSG-AWEZNQCLSA-N 1 0 428.511 -0.231 20 0 IBADRO COc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434663964 1071793669 /nfs/dbraw/zinc/79/36/69/1071793669.db2.gz RNSBRPLNVMRWSG-CQSZACIVSA-N 1 0 428.511 -0.231 20 0 IBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)CC1 ZINC000434665209 1071794305 /nfs/dbraw/zinc/79/43/05/1071794305.db2.gz NIHWKQSMXGBCKB-UHFFFAOYSA-N 1 0 440.570 -0.591 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000434669507 1071794507 /nfs/dbraw/zinc/79/45/07/1071794507.db2.gz JPTFQECIWNVFDD-UHFFFAOYSA-N 1 0 445.630 -0.163 20 0 IBADRO C[C@@H](NC(=O)[C@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000434676551 1071795156 /nfs/dbraw/zinc/79/51/56/1071795156.db2.gz RSAGVBPNXRAEHB-CABCVRRESA-N 1 0 425.555 -0.395 20 0 IBADRO C[C@H](NC(=O)[C@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000434676552 1071794912 /nfs/dbraw/zinc/79/49/12/1071794912.db2.gz RSAGVBPNXRAEHB-GJZGRUSLSA-N 1 0 425.555 -0.395 20 0 IBADRO C[C@@H](NC(=O)[C@@H](C)N1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000434676553 1071794972 /nfs/dbraw/zinc/79/49/72/1071794972.db2.gz RSAGVBPNXRAEHB-HUUCEWRRSA-N 1 0 425.555 -0.395 20 0 IBADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000434676554 1071794846 /nfs/dbraw/zinc/79/48/46/1071794846.db2.gz RSAGVBPNXRAEHB-LSDHHAIUSA-N 1 0 425.555 -0.395 20 0 IBADRO Cc1ccc(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)cc1S(=O)(=O)N(C)C ZINC000434676959 1071795046 /nfs/dbraw/zinc/79/50/46/1071795046.db2.gz UUTVISLTVNUYNC-UHFFFAOYSA-N 1 0 425.555 -0.110 20 0 IBADRO 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O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000434781627 1071807430 /nfs/dbraw/zinc/80/74/30/1071807430.db2.gz GJCYUGOBPOOSQI-LJQANCHMSA-N 1 0 435.506 -0.807 20 0 IBADRO COC[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@@H]1CCCO1 ZINC000434782952 1071807849 /nfs/dbraw/zinc/80/78/49/1071807849.db2.gz HYUKCNUBRQWODZ-CVEARBPZSA-N 1 0 430.527 -0.092 20 0 IBADRO COC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@@H]1CCCO1 ZINC000434782955 1071807964 /nfs/dbraw/zinc/80/79/64/1071807964.db2.gz HYUKCNUBRQWODZ-HOTGVXAUSA-N 1 0 430.527 -0.092 20 0 IBADRO COC[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@H]1CCCO1 ZINC000434782957 1071808229 /nfs/dbraw/zinc/80/82/29/1071808229.db2.gz HYUKCNUBRQWODZ-HZPDHXFCSA-N 1 0 430.527 -0.092 20 0 IBADRO COC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@H]1CCCO1 ZINC000434782959 1071807988 /nfs/dbraw/zinc/80/79/88/1071807988.db2.gz HYUKCNUBRQWODZ-JKSUJKDBSA-N 1 0 430.527 -0.092 20 0 IBADRO O=C1NC(=O)[C@@]2(CCC[N@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)N1 ZINC000434790195 1071808076 /nfs/dbraw/zinc/80/80/76/1071808076.db2.gz RTBANSYIERDRNE-IBGZPJMESA-N 1 0 438.506 -0.240 20 0 IBADRO O=C1NC(=O)[C@]2(CCC[N@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)N1 ZINC000434790196 1071808015 /nfs/dbraw/zinc/80/80/15/1071808015.db2.gz RTBANSYIERDRNE-LJQANCHMSA-N 1 0 438.506 -0.240 20 0 IBADRO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000434792918 1071808857 /nfs/dbraw/zinc/80/88/57/1071808857.db2.gz JEQVSFAKTGETTM-FQEVSTJZSA-N 1 0 449.533 -0.665 20 0 IBADRO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000434792919 1071808474 /nfs/dbraw/zinc/80/84/74/1071808474.db2.gz JEQVSFAKTGETTM-HXUWFJFHSA-N 1 0 449.533 -0.665 20 0 IBADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCN(CCS(N)(=O)=O)CC3)cccc21 ZINC000434803212 1071809435 /nfs/dbraw/zinc/80/94/35/1071809435.db2.gz PHLBOFNGYZCUMT-INIZCTEOSA-N 1 0 439.538 -0.557 20 0 IBADRO 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C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cccc21 ZINC000434929410 1071825574 /nfs/dbraw/zinc/82/55/74/1071825574.db2.gz YISKUODDPGWVOX-INIZCTEOSA-N 1 0 442.480 -0.632 20 0 IBADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cccc21 ZINC000434929411 1071825663 /nfs/dbraw/zinc/82/56/63/1071825663.db2.gz YISKUODDPGWVOX-MRXNPFEDSA-N 1 0 442.480 -0.632 20 0 IBADRO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC1 ZINC000434930090 1071825468 /nfs/dbraw/zinc/82/54/68/1071825468.db2.gz FCPNJPSVFUSURL-GOSISDBHSA-N 1 0 447.536 -0.083 20 0 IBADRO COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC1 ZINC000434930091 1071825488 /nfs/dbraw/zinc/82/54/88/1071825488.db2.gz FCPNJPSVFUSURL-SFHVURJKSA-N 1 0 447.536 -0.083 20 0 IBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000434934648 1071826078 /nfs/dbraw/zinc/82/60/78/1071826078.db2.gz BJORVCGXAZVJRC-AWEZNQCLSA-N 1 0 440.522 -0.089 20 0 IBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC ZINC000434934649 1071826382 /nfs/dbraw/zinc/82/63/82/1071826382.db2.gz BJORVCGXAZVJRC-CQSZACIVSA-N 1 0 440.522 -0.089 20 0 IBADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ncn(Cc3ncc(C)c(OC)c3C)n2)CC1 ZINC000434950612 1071826800 /nfs/dbraw/zinc/82/68/00/1071826800.db2.gz JFGLJRIJAYJQMX-UHFFFAOYSA-N 1 0 445.524 0.512 20 0 IBADRO COc1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434963774 1071826976 /nfs/dbraw/zinc/82/69/76/1071826976.db2.gz STMOCBQAXCJBBL-AWEZNQCLSA-N 1 0 428.511 -0.279 20 0 IBADRO COc1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434963775 1071827140 /nfs/dbraw/zinc/82/71/40/1071827140.db2.gz STMOCBQAXCJBBL-CQSZACIVSA-N 1 0 428.511 -0.279 20 0 IBADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434983642 1071829886 /nfs/dbraw/zinc/82/98/86/1071829886.db2.gz SMPTYMZLHDZXIM-UXLLHSPISA-N 1 0 428.555 -0.475 20 0 IBADRO C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)CN1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000434983644 1071829821 /nfs/dbraw/zinc/82/98/21/1071829821.db2.gz SMPTYMZLHDZXIM-YQQAZPJKSA-N 1 0 428.555 -0.475 20 0 IBADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434983645 1071829903 /nfs/dbraw/zinc/82/99/03/1071829903.db2.gz SMPTYMZLHDZXIM-ZMSDIMECSA-N 1 0 428.555 -0.475 20 0 IBADRO C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](O)CN1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000434983647 1071829488 /nfs/dbraw/zinc/82/94/88/1071829488.db2.gz SMPTYMZLHDZXIM-ZOBUZTSGSA-N 1 0 428.555 -0.475 20 0 IBADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434996160 1071830628 /nfs/dbraw/zinc/83/06/28/1071830628.db2.gz SCICAFWDWVGUNV-DOTOQJQBSA-N 1 0 428.555 -0.994 20 0 IBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434996161 1071830544 /nfs/dbraw/zinc/83/05/44/1071830544.db2.gz SCICAFWDWVGUNV-NVXWUHKLSA-N 1 0 428.555 -0.994 20 0 IBADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434996162 1071830610 /nfs/dbraw/zinc/83/06/10/1071830610.db2.gz SCICAFWDWVGUNV-RDJZCZTQSA-N 1 0 428.555 -0.994 20 0 IBADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434996163 1071831135 /nfs/dbraw/zinc/83/11/35/1071831135.db2.gz SCICAFWDWVGUNV-WBVHZDCISA-N 1 0 428.555 -0.994 20 0 IBADRO C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000434999499 1071828846 /nfs/dbraw/zinc/82/88/46/1071828846.db2.gz LVXSTFIFUJVYEV-GOSISDBHSA-N 1 0 443.566 -0.289 20 0 IBADRO C[N@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC000434999503 1071829021 /nfs/dbraw/zinc/82/90/21/1071829021.db2.gz LVXSTFIFUJVYEV-SFHVURJKSA-N 1 0 443.566 -0.289 20 0 IBADRO COc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000435093528 1071836618 /nfs/dbraw/zinc/83/66/18/1071836618.db2.gz FDFWPDRQCRWERQ-HNNXBMFYSA-N 1 0 440.522 -0.135 20 0 IBADRO COc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000435093529 1071836531 /nfs/dbraw/zinc/83/65/31/1071836531.db2.gz FDFWPDRQCRWERQ-OAHLLOKOSA-N 1 0 440.522 -0.135 20 0 IBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)ccc1OC ZINC000435095629 1071837060 /nfs/dbraw/zinc/83/70/60/1071837060.db2.gz RPKCDMLGNRLXPQ-UHFFFAOYSA-N 1 0 428.511 -0.278 20 0 IBADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000435143309 1071841835 /nfs/dbraw/zinc/84/18/35/1071841835.db2.gz OOTIYAINFDRZDS-UHFFFAOYSA-N 1 0 437.545 -0.931 20 0 IBADRO Cc1ccn(C2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)n1 ZINC000435157924 1071841996 /nfs/dbraw/zinc/84/19/96/1071841996.db2.gz GQOYLWWUTDDQND-UHFFFAOYSA-N 1 0 430.513 -0.132 20 0 IBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H](C)O1 ZINC000435158150 1071841742 /nfs/dbraw/zinc/84/17/42/1071841742.db2.gz IIGOBPIJSPLHNT-IYBDPMFKSA-N 1 0 437.545 -0.933 20 0 IBADRO CCOC(=O)CNC(=O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000435169444 1071843817 /nfs/dbraw/zinc/84/38/17/1071843817.db2.gz VTQKHHRNHHJWQD-INIZCTEOSA-N 1 0 425.530 -0.325 20 0 IBADRO CCOC(=O)CNC(=O)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000435169445 1071843800 /nfs/dbraw/zinc/84/38/00/1071843800.db2.gz VTQKHHRNHHJWQD-MRXNPFEDSA-N 1 0 425.530 -0.325 20 0 IBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)n2)CC1 ZINC000435200381 1073311748 /nfs/dbraw/zinc/31/17/48/1073311748.db2.gz HQFZGHXRJMYKAB-INIZCTEOSA-N 1 0 438.554 0.115 20 0 IBADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)n2)CC1 ZINC000435200382 1073311892 /nfs/dbraw/zinc/31/18/92/1073311892.db2.gz HQFZGHXRJMYKAB-MRXNPFEDSA-N 1 0 438.554 0.115 20 0 IBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000435242318 1071854406 /nfs/dbraw/zinc/85/44/06/1071854406.db2.gz KJILCAUTVQYKMM-JOCHJYFZSA-N 1 0 429.521 -0.010 20 0 IBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000435242319 1071854712 /nfs/dbraw/zinc/85/47/12/1071854712.db2.gz KJILCAUTVQYKMM-QFIPXVFZSA-N 1 0 429.521 -0.010 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](Oc3ccncc3)C2)cn1 ZINC000435258159 1071854630 /nfs/dbraw/zinc/85/46/30/1071854630.db2.gz YZIPXCYBYDUWDM-QGZVFWFLSA-N 1 0 429.481 -0.426 20 0 IBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)ccc1OC ZINC000435307357 1071857605 /nfs/dbraw/zinc/85/76/05/1071857605.db2.gz AEAVBTLFIFJTER-UHFFFAOYSA-N 1 0 440.522 -0.135 20 0 IBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000435314633 1071860479 /nfs/dbraw/zinc/86/04/79/1071860479.db2.gz HPHJECLUVGLFQY-HNNXBMFYSA-N 1 0 427.527 -0.041 20 0 IBADRO CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000435314634 1071860689 /nfs/dbraw/zinc/86/06/89/1071860689.db2.gz HPHJECLUVGLFQY-OAHLLOKOSA-N 1 0 427.527 -0.041 20 0 IBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N3CCC[N@@H+]([C@@H](C)CO)CC3)n2)c1C ZINC000435321550 1071859773 /nfs/dbraw/zinc/85/97/73/1071859773.db2.gz XFUIWKHDPHCSIC-HNNXBMFYSA-N 1 0 445.524 0.200 20 0 IBADRO COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N3CCC[N@@H+]([C@H](C)CO)CC3)n2)c1C ZINC000435321552 1071860006 /nfs/dbraw/zinc/86/00/06/1071860006.db2.gz XFUIWKHDPHCSIC-OAHLLOKOSA-N 1 0 445.524 0.200 20 0 IBADRO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1OC ZINC000435321656 1071859981 /nfs/dbraw/zinc/85/99/81/1071859981.db2.gz XTQFSXDUERRSJP-OKILXGFUSA-N 1 0 440.522 -0.422 20 0 IBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000435491037 1071870302 /nfs/dbraw/zinc/87/03/02/1071870302.db2.gz JVSBKMZWTHOWPP-IBGZPJMESA-N 1 0 435.573 -0.287 20 0 IBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000435491038 1071870398 /nfs/dbraw/zinc/87/03/98/1071870398.db2.gz JVSBKMZWTHOWPP-LJQANCHMSA-N 1 0 435.573 -0.287 20 0 IBADRO NC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000435494236 1071870255 /nfs/dbraw/zinc/87/02/55/1071870255.db2.gz VDZZBUJETJIIBH-DLBZAZTESA-N 1 0 426.477 -0.019 20 0 IBADRO NC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000435494237 1071870154 /nfs/dbraw/zinc/87/01/54/1071870154.db2.gz VDZZBUJETJIIBH-IAGOWNOFSA-N 1 0 426.477 -0.019 20 0 IBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000435494238 1071870355 /nfs/dbraw/zinc/87/03/55/1071870355.db2.gz VDZZBUJETJIIBH-IRXDYDNUSA-N 1 0 426.477 -0.019 20 0 IBADRO NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000435494239 1071870224 /nfs/dbraw/zinc/87/02/24/1071870224.db2.gz VDZZBUJETJIIBH-SJORKVTESA-N 1 0 426.477 -0.019 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 ZINC000435499254 1071871988 /nfs/dbraw/zinc/87/19/88/1071871988.db2.gz DSHHZHXAIQOZNK-KRWDZBQOSA-N 1 0 427.505 -0.005 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC1 ZINC000435499255 1071871962 /nfs/dbraw/zinc/87/19/62/1071871962.db2.gz DSHHZHXAIQOZNK-QGZVFWFLSA-N 1 0 427.505 -0.005 20 0 IBADRO CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435500624 1071871733 /nfs/dbraw/zinc/87/17/33/1071871733.db2.gz LKRUVBHXQSCCGD-INIZCTEOSA-N 1 0 434.522 -0.066 20 0 IBADRO CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435500625 1071871970 /nfs/dbraw/zinc/87/19/70/1071871970.db2.gz LKRUVBHXQSCCGD-MRXNPFEDSA-N 1 0 434.522 -0.066 20 0 IBADRO O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435508263 1071871306 /nfs/dbraw/zinc/87/13/06/1071871306.db2.gz SWTNKJCTRVXCAE-INIZCTEOSA-N 1 0 439.476 -0.063 20 0 IBADRO O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435508264 1071870905 /nfs/dbraw/zinc/87/09/05/1071870905.db2.gz SWTNKJCTRVXCAE-MRXNPFEDSA-N 1 0 439.476 -0.063 20 0 IBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000435574229 1071874674 /nfs/dbraw/zinc/87/46/74/1071874674.db2.gz NBBJIBPDEPHYRV-GOSISDBHSA-N 1 0 427.590 -0.052 20 0 IBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000435574230 1071874571 /nfs/dbraw/zinc/87/45/71/1071874571.db2.gz NBBJIBPDEPHYRV-SFHVURJKSA-N 1 0 427.590 -0.052 20 0 IBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000435630293 1071878042 /nfs/dbraw/zinc/87/80/42/1071878042.db2.gz WALIPMUWEHHOHI-UHFFFAOYSA-N 1 0 434.545 -0.190 20 0 IBADRO CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000435735365 1071882078 /nfs/dbraw/zinc/88/20/78/1071882078.db2.gz MHXFLDOPRWKPEO-UHFFFAOYSA-N 1 0 428.449 0.124 20 0 IBADRO C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000435831912 1071885195 /nfs/dbraw/zinc/88/51/95/1071885195.db2.gz WRBLQZZIRRURSM-AEFFLSMTSA-N 1 0 428.530 -0.345 20 0 IBADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000435832458 1071886148 /nfs/dbraw/zinc/88/61/48/1071886148.db2.gz BGPSCDDLZOCZMW-AEFFLSMTSA-N 1 0 428.530 -0.297 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC1 ZINC000435835994 1071885845 /nfs/dbraw/zinc/88/58/45/1071885845.db2.gz PKROPDRHEUVIHW-AEFFLSMTSA-N 1 0 427.505 -0.006 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 ZINC000435835995 1071885950 /nfs/dbraw/zinc/88/59/50/1071885950.db2.gz PKROPDRHEUVIHW-FUHWJXTLSA-N 1 0 427.505 -0.006 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC1 ZINC000435835996 1071886131 /nfs/dbraw/zinc/88/61/31/1071886131.db2.gz PKROPDRHEUVIHW-SJLPKXTDSA-N 1 0 427.505 -0.006 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 ZINC000435835997 1071886019 /nfs/dbraw/zinc/88/60/19/1071886019.db2.gz PKROPDRHEUVIHW-WMZOPIPTSA-N 1 0 427.505 -0.006 20 0 IBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000436090831 1071897734 /nfs/dbraw/zinc/89/77/34/1071897734.db2.gz SQZJSILVSPLGIK-WBVHZDCISA-N 1 0 442.513 -0.818 20 0 IBADRO Cn1cc(CN2CC[NH+](CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cn1 ZINC000436111056 1071898528 /nfs/dbraw/zinc/89/85/28/1071898528.db2.gz BGCPAOQAQZXLQD-UHFFFAOYSA-N 1 0 434.566 -0.066 20 0 IBADRO COCc1noc(CN2CCN(C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC000436138210 1071900286 /nfs/dbraw/zinc/90/02/86/1071900286.db2.gz URAIFBGEGBGDFB-INIZCTEOSA-N 1 0 437.545 -0.014 20 0 IBADRO COCc1noc(CN2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)n1 ZINC000436138211 1071900458 /nfs/dbraw/zinc/90/04/58/1071900458.db2.gz URAIFBGEGBGDFB-MRXNPFEDSA-N 1 0 437.545 -0.014 20 0 IBADRO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000436166554 1071477367 /nfs/dbraw/zinc/47/73/67/1071477367.db2.gz CVAYQVUDFCEINB-IBGZPJMESA-N 1 0 445.568 -0.620 20 0 IBADRO C[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000436166555 1071478192 /nfs/dbraw/zinc/47/81/92/1071478192.db2.gz CVAYQVUDFCEINB-LJQANCHMSA-N 1 0 445.568 -0.620 20 0 IBADRO CC[C@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[N@@H+]1CCOC ZINC000436188433 1071478057 /nfs/dbraw/zinc/47/80/57/1071478057.db2.gz IZZNMCVNTWYBJT-IBGZPJMESA-N 1 0 425.574 -0.968 20 0 IBADRO CC[C@@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC[N@@H+]1CCOC ZINC000436188434 1071478215 /nfs/dbraw/zinc/47/82/15/1071478215.db2.gz IZZNMCVNTWYBJT-LJQANCHMSA-N 1 0 425.574 -0.968 20 0 IBADRO CCOCC[N@@H+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1CC ZINC000436201412 1071478133 /nfs/dbraw/zinc/47/81/33/1071478133.db2.gz UQZKTKWLVYSMRD-FQEVSTJZSA-N 1 0 439.601 -0.578 20 0 IBADRO CCOCC[N@@H+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1CC ZINC000436201415 1071478083 /nfs/dbraw/zinc/47/80/83/1071478083.db2.gz UQZKTKWLVYSMRD-HXUWFJFHSA-N 1 0 439.601 -0.578 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000436229149 1071902142 /nfs/dbraw/zinc/90/21/42/1071902142.db2.gz DDLNOMSUVCGPHV-ZBFHGGJFSA-N 1 0 425.486 0.346 20 0 IBADRO C[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000436257718 1071903824 /nfs/dbraw/zinc/90/38/24/1071903824.db2.gz FVIGXAFIELAZRK-INIZCTEOSA-N 1 0 447.602 -0.486 20 0 IBADRO C[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000436257719 1071903878 /nfs/dbraw/zinc/90/38/78/1071903878.db2.gz FVIGXAFIELAZRK-MRXNPFEDSA-N 1 0 447.602 -0.486 20 0 IBADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000436266196 1071902922 /nfs/dbraw/zinc/90/29/22/1071902922.db2.gz URGZERYEMKYRBH-INIZCTEOSA-N 1 0 447.602 -0.486 20 0 IBADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000436266198 1071903044 /nfs/dbraw/zinc/90/30/44/1071903044.db2.gz URGZERYEMKYRBH-MRXNPFEDSA-N 1 0 447.602 -0.486 20 0 IBADRO 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ZINC000436510606 1071916308 /nfs/dbraw/zinc/91/63/08/1071916308.db2.gz JFKTWUTZFBASCU-UHFFFAOYSA-N 1 0 425.559 -0.439 20 0 IBADRO CNS(=O)(=O)NC1CCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000436512709 1071916952 /nfs/dbraw/zinc/91/69/52/1071916952.db2.gz MXZPPZASQWOOFB-UHFFFAOYSA-N 1 0 440.570 -0.294 20 0 IBADRO C[NH+]1CCN(CCNC(=O)c2cccc(C(=O)NCCN3CC[NH+](C)CC3)c2[O-])CC1 ZINC000436514449 1071916982 /nfs/dbraw/zinc/91/69/82/1071916982.db2.gz PCHZIRCPQQKBIV-UHFFFAOYSA-N 1 0 432.569 -0.653 20 0 IBADRO CN(CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)S(=O)(=O)c1ccc(F)cc1 ZINC000437058505 1071943842 /nfs/dbraw/zinc/94/38/42/1071943842.db2.gz PQBSLSVCGWOKMG-UHFFFAOYSA-N 1 0 440.501 -0.041 20 0 IBADRO COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000437085677 1071945702 /nfs/dbraw/zinc/94/57/02/1071945702.db2.gz CBOCPHIRMJFADG-UHFFFAOYSA-N 1 0 442.520 0.572 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)n1 ZINC000437092862 1071945120 /nfs/dbraw/zinc/94/51/20/1071945120.db2.gz FRIOUMQKZTXFFB-MOPGFXCFSA-N 1 0 426.521 0.495 20 0 IBADRO Cc1ccc(NC(=O)CN(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000437139303 1071946764 /nfs/dbraw/zinc/94/67/64/1071946764.db2.gz VAAVKCDXSAQAPM-UHFFFAOYSA-N 1 0 443.508 -0.095 20 0 IBADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000437143613 1071947821 /nfs/dbraw/zinc/94/78/21/1071947821.db2.gz FRZUNOUJUSVBDO-UHFFFAOYSA-N 1 0 433.465 -0.588 20 0 IBADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000437144302 1071947992 /nfs/dbraw/zinc/94/79/92/1071947992.db2.gz ISDMEFHAWRFBQK-UHFFFAOYSA-N 1 0 445.520 -0.280 20 0 IBADRO CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000437148815 1071948385 /nfs/dbraw/zinc/94/83/85/1071948385.db2.gz JPMUCJIIKAKZPK-UHFFFAOYSA-N 1 0 447.536 -0.432 20 0 IBADRO CN(CC(=O)Nc1cccc(F)c1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000437191390 1071950164 /nfs/dbraw/zinc/95/01/64/1071950164.db2.gz UNRMFLFDLFAACC-UHFFFAOYSA-N 1 0 447.471 -0.264 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3ncn(CC(=O)N(C)C)n3)c(C)c2)CC1 ZINC000437209430 1071951344 /nfs/dbraw/zinc/95/13/44/1071951344.db2.gz AMNFJCDLRWPBBL-UHFFFAOYSA-N 1 0 442.524 0.394 20 0 IBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cc21 ZINC000437232287 1071486233 /nfs/dbraw/zinc/48/62/33/1071486233.db2.gz LLZDJBIZISXNAL-UHFFFAOYSA-N 1 0 449.508 -0.752 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cc2)CC1 ZINC000437232567 1071486330 /nfs/dbraw/zinc/48/63/30/1071486330.db2.gz AIGCZQFDACHLDA-UHFFFAOYSA-N 1 0 447.580 -0.084 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)c2)CC1 ZINC000437255063 1071487676 /nfs/dbraw/zinc/48/76/76/1071487676.db2.gz XGHUHWHNMLHSLV-UHFFFAOYSA-N 1 0 433.553 -0.474 20 0 IBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)c2)CC1 ZINC000437267934 1071491096 /nfs/dbraw/zinc/49/10/96/1071491096.db2.gz OEOOOIYVEJKFBZ-UHFFFAOYSA-N 1 0 433.553 -0.080 20 0 IBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000437340507 1071957050 /nfs/dbraw/zinc/95/70/50/1071957050.db2.gz DZQVWULSQTYPOR-HNNXBMFYSA-N 1 0 425.511 -0.205 20 0 IBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000437340509 1071957015 /nfs/dbraw/zinc/95/70/15/1071957015.db2.gz DZQVWULSQTYPOR-OAHLLOKOSA-N 1 0 425.511 -0.205 20 0 IBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)cn2)CC1 ZINC000437341666 1071957513 /nfs/dbraw/zinc/95/75/13/1071957513.db2.gz FWIYDAFBWCBNDA-HNNXBMFYSA-N 1 0 425.511 -0.227 20 0 IBADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)cn2)CC1 ZINC000437341667 1071957533 /nfs/dbraw/zinc/95/75/33/1071957533.db2.gz FWIYDAFBWCBNDA-OAHLLOKOSA-N 1 0 425.511 -0.227 20 0 IBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)ccc2oc1=O ZINC000437343491 1071961621 /nfs/dbraw/zinc/96/16/21/1071961621.db2.gz ILYWSTULABWYBR-CYBMUJFWSA-N 1 0 439.494 -0.626 20 0 IBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)ccc2oc1=O ZINC000437343492 1071961588 /nfs/dbraw/zinc/96/15/88/1071961588.db2.gz ILYWSTULABWYBR-ZDUSSCGKSA-N 1 0 439.494 -0.626 20 0 IBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000437417503 1071963925 /nfs/dbraw/zinc/96/39/25/1071963925.db2.gz ZZSRMUQXEKDCJQ-UHFFFAOYSA-N 1 0 429.518 -0.104 20 0 IBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000437428927 1071965289 /nfs/dbraw/zinc/96/52/89/1071965289.db2.gz OZCVWMMHQHHGKP-UHFFFAOYSA-N 1 0 435.573 -0.362 20 0 IBADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000437445128 1071965025 /nfs/dbraw/zinc/96/50/25/1071965025.db2.gz DUGVMWKRNSFSMB-UHFFFAOYSA-N 1 0 435.573 -0.362 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000437446581 1071964992 /nfs/dbraw/zinc/96/49/92/1071964992.db2.gz LPVXQOGAPSRMBM-AWEZNQCLSA-N 1 0 429.568 -0.026 20 0 IBADRO 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COC(=O)CC1([NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CCS(=O)(=O)CC1 ZINC000439258538 1072067834 /nfs/dbraw/zinc/06/78/34/1072067834.db2.gz LSNOPPPWNTZPHZ-OAHLLOKOSA-N 1 0 439.490 -0.036 20 0 IBADRO Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439282984 1072068991 /nfs/dbraw/zinc/06/89/91/1072068991.db2.gz JFSABDKRSSKWHY-HNNXBMFYSA-N 1 0 428.493 -0.681 20 0 IBADRO Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439282985 1072069145 /nfs/dbraw/zinc/06/91/45/1072069145.db2.gz JFSABDKRSSKWHY-OAHLLOKOSA-N 1 0 428.493 -0.681 20 0 IBADRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000439358659 1072074461 /nfs/dbraw/zinc/07/44/61/1072074461.db2.gz NRQXLFTWDVSMHG-AWEZNQCLSA-N 1 0 437.522 -0.702 20 0 IBADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000439358661 1072074438 /nfs/dbraw/zinc/07/44/38/1072074438.db2.gz NRQXLFTWDVSMHG-CQSZACIVSA-N 1 0 437.522 -0.702 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)cn1 ZINC000439358740 1072074340 /nfs/dbraw/zinc/07/43/40/1072074340.db2.gz MOYARMNJGXCHHL-GOSISDBHSA-N 1 0 449.556 -0.787 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)cn1 ZINC000439358745 1072074415 /nfs/dbraw/zinc/07/44/15/1072074415.db2.gz MOYARMNJGXCHHL-SFHVURJKSA-N 1 0 449.556 -0.787 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC(CS(N)(=O)=O)CC3)c2)CC1 ZINC000439381238 1072075864 /nfs/dbraw/zinc/07/58/64/1072075864.db2.gz BYUDRRGZBISHKX-UHFFFAOYSA-N 1 0 437.566 -0.100 20 0 IBADRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000439429916 1072079619 /nfs/dbraw/zinc/07/96/19/1072079619.db2.gz HDYSFFPUZGZSGV-KRWDZBQOSA-N 1 0 434.541 0.307 20 0 IBADRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000439429931 1072079701 /nfs/dbraw/zinc/07/97/01/1072079701.db2.gz HDYSFFPUZGZSGV-QGZVFWFLSA-N 1 0 434.541 0.307 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cn1 ZINC000439509111 1072084428 /nfs/dbraw/zinc/08/44/28/1072084428.db2.gz CZZDFOIHEGGDGG-MSOLQXFVSA-N 1 0 432.525 -0.059 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cn1 ZINC000439509119 1072084312 /nfs/dbraw/zinc/08/43/12/1072084312.db2.gz CZZDFOIHEGGDGG-QZTJIDSGSA-N 1 0 432.525 -0.059 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cn1 ZINC000439509122 1072084249 /nfs/dbraw/zinc/08/42/49/1072084249.db2.gz CZZDFOIHEGGDGG-ROUUACIJSA-N 1 0 432.525 -0.059 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cn1 ZINC000439509125 1072084298 /nfs/dbraw/zinc/08/42/98/1072084298.db2.gz CZZDFOIHEGGDGG-ZWKOTPCHSA-N 1 0 432.525 -0.059 20 0 IBADRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000439547934 1072085417 /nfs/dbraw/zinc/08/54/17/1072085417.db2.gz IFSZRUHXCJFACM-UHFFFAOYSA-N 1 0 425.511 -0.750 20 0 IBADRO Cc1nnc(N2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)c(C(N)=O)c1C ZINC000439576677 1072087586 /nfs/dbraw/zinc/08/75/86/1072087586.db2.gz CCQRWMMSCLKISJ-UHFFFAOYSA-N 1 0 449.475 0.060 20 0 IBADRO CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439594215 1072087617 /nfs/dbraw/zinc/08/76/17/1072087617.db2.gz KDBQYKCYOVZYAR-INIZCTEOSA-N 1 0 449.533 -0.559 20 0 IBADRO CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439594221 1072088028 /nfs/dbraw/zinc/08/80/28/1072088028.db2.gz KDBQYKCYOVZYAR-MRXNPFEDSA-N 1 0 449.533 -0.559 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)cn1 ZINC000439604445 1072088979 /nfs/dbraw/zinc/08/89/79/1072088979.db2.gz QSIIVQOFQIXLKF-HNNXBMFYSA-N 1 0 436.513 -0.168 20 0 IBADRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000439616302 1072089337 /nfs/dbraw/zinc/08/93/37/1072089337.db2.gz VMGBBRQMTXENPN-UHFFFAOYSA-N 1 0 442.538 -0.654 20 0 IBADRO Cn1cc(Br)cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)c1=O ZINC000439627868 1072090312 /nfs/dbraw/zinc/09/03/12/1072090312.db2.gz WPOLFFJTERXRCN-UHFFFAOYSA-N 1 0 433.303 -0.515 20 0 IBADRO Cn1cc(NC(=O)C(=O)N(CCOCCO)CC[NH+](C)C)cc(Br)c1=O ZINC000439641085 1072089692 /nfs/dbraw/zinc/08/96/92/1072089692.db2.gz MNMLKDPHHGOPIY-UHFFFAOYSA-N 1 0 433.303 -0.515 20 0 IBADRO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000439747370 1072093632 /nfs/dbraw/zinc/09/36/32/1072093632.db2.gz SAJCSALESDQPBX-UHFFFAOYSA-N 1 0 426.499 -0.035 20 0 IBADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000439761135 1072094669 /nfs/dbraw/zinc/09/46/69/1072094669.db2.gz YLBRWYWCSRHFOS-GFCCVEGCSA-N 1 0 430.303 -0.342 20 0 IBADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000439761140 1072094738 /nfs/dbraw/zinc/09/47/38/1072094738.db2.gz YLBRWYWCSRHFOS-LBPRGKRZSA-N 1 0 430.303 -0.342 20 0 IBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000439849568 1072102381 /nfs/dbraw/zinc/10/23/81/1072102381.db2.gz LLHQJINGMLGJAK-HNNXBMFYSA-N 1 0 428.515 -0.829 20 0 IBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000439849576 1072102368 /nfs/dbraw/zinc/10/23/68/1072102368.db2.gz LLHQJINGMLGJAK-OAHLLOKOSA-N 1 0 428.515 -0.829 20 0 IBADRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000439851154 1072102390 /nfs/dbraw/zinc/10/23/90/1072102390.db2.gz CKMCTYOQMKGGFZ-KRWDZBQOSA-N 1 0 442.314 -0.198 20 0 IBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 ZINC000439851155 1072102344 /nfs/dbraw/zinc/10/23/44/1072102344.db2.gz CKMCTYOQMKGGFZ-QGZVFWFLSA-N 1 0 442.314 -0.198 20 0 IBADRO CCS(=O)(=O)N1CC(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000439922075 1072108101 /nfs/dbraw/zinc/10/81/01/1072108101.db2.gz KKYYWKSFEPWMBI-SFHVURJKSA-N 1 0 439.582 -0.144 20 0 IBADRO CCS(=O)(=O)N1CC(CNC(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000439945384 1072108963 /nfs/dbraw/zinc/10/89/63/1072108963.db2.gz VTTDAGVEDFHIFI-GOSISDBHSA-N 1 0 431.603 -0.296 20 0 IBADRO CCS(=O)(=O)N1CC(CNC(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000439945386 1072108986 /nfs/dbraw/zinc/10/89/86/1072108986.db2.gz VTTDAGVEDFHIFI-SFHVURJKSA-N 1 0 431.603 -0.296 20 0 IBADRO O=C(CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000439956748 1072110443 /nfs/dbraw/zinc/11/04/43/1072110443.db2.gz IZWPKFHBDKTKTP-AEFFLSMTSA-N 1 0 426.583 -0.159 20 0 IBADRO O=C(CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000439956749 1072110306 /nfs/dbraw/zinc/11/03/06/1072110306.db2.gz IZWPKFHBDKTKTP-FUHWJXTLSA-N 1 0 426.583 -0.159 20 0 IBADRO O=C(CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000439956750 1072110352 /nfs/dbraw/zinc/11/03/52/1072110352.db2.gz IZWPKFHBDKTKTP-SJLPKXTDSA-N 1 0 426.583 -0.159 20 0 IBADRO O=C(CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000439956751 1072110995 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OAALZWMXJPYRSS-MSOLQXFVSA-N 1 0 445.520 -0.001 20 0 IBADRO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000440062393 1072118941 /nfs/dbraw/zinc/11/89/41/1072118941.db2.gz OAALZWMXJPYRSS-QZTJIDSGSA-N 1 0 445.520 -0.001 20 0 IBADRO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000440062394 1072118810 /nfs/dbraw/zinc/11/88/10/1072118810.db2.gz OAALZWMXJPYRSS-ROUUACIJSA-N 1 0 445.520 -0.001 20 0 IBADRO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000440062395 1072118922 /nfs/dbraw/zinc/11/89/22/1072118922.db2.gz OAALZWMXJPYRSS-ZWKOTPCHSA-N 1 0 445.520 -0.001 20 0 IBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000440072158 1072118022 /nfs/dbraw/zinc/11/80/22/1072118022.db2.gz BRODCAMRICTZHE-IBGZPJMESA-N 1 0 439.538 -0.334 20 0 IBADRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000440072162 1072117903 /nfs/dbraw/zinc/11/79/03/1072117903.db2.gz 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CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441705512 1072315922 /nfs/dbraw/zinc/31/59/22/1072315922.db2.gz LSMWQHKVNRCKTA-HNNXBMFYSA-N 1 0 430.513 -0.001 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441705513 1072315538 /nfs/dbraw/zinc/31/55/38/1072315538.db2.gz LSMWQHKVNRCKTA-OAHLLOKOSA-N 1 0 430.513 -0.001 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000441705996 1072315709 /nfs/dbraw/zinc/31/57/09/1072315709.db2.gz XRGBUIKWEJMQTQ-CYBMUJFWSA-N 1 0 429.518 -0.199 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000441705997 1072315623 /nfs/dbraw/zinc/31/56/23/1072315623.db2.gz XRGBUIKWEJMQTQ-ZDUSSCGKSA-N 1 0 429.518 -0.199 20 0 IBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)C(=O)NCC[NH+](C)C ZINC000441706765 1072315905 /nfs/dbraw/zinc/31/59/05/1072315905.db2.gz ULNZWYXVMMTFST-HNNXBMFYSA-N 1 0 431.497 -0.191 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000441707053 1072315873 /nfs/dbraw/zinc/31/58/73/1072315873.db2.gz LSBCNTUMJDEBEV-HNNXBMFYSA-N 1 0 425.555 -0.077 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000441707054 1072315754 /nfs/dbraw/zinc/31/57/54/1072315754.db2.gz LSBCNTUMJDEBEV-OAHLLOKOSA-N 1 0 425.555 -0.077 20 0 IBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C(=O)NCC[NH+](C)C ZINC000441709073 1072315096 /nfs/dbraw/zinc/31/50/96/1072315096.db2.gz UOWNQSUHCNVKPG-HNNXBMFYSA-N 1 0 445.517 -0.380 20 0 IBADRO Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1S(N)(=O)=O ZINC000441709326 1072316440 /nfs/dbraw/zinc/31/64/40/1072316440.db2.gz VQUIGFCUCYMZOX-HNNXBMFYSA-N 1 0 441.554 -0.210 20 0 IBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)NCC[NH+](C)C ZINC000441710596 1072316262 /nfs/dbraw/zinc/31/62/62/1072316262.db2.gz ZYZFMIOCBBJUKK-INIZCTEOSA-N 1 0 447.540 -0.835 20 0 IBADRO C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000441717313 1072316860 /nfs/dbraw/zinc/31/68/60/1072316860.db2.gz PQPWSHRERCRUDM-JXFKEZNVSA-N 1 0 442.520 0.488 20 0 IBADRO C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000441717315 1072316907 /nfs/dbraw/zinc/31/69/07/1072316907.db2.gz PQPWSHRERCRUDM-OXJNMPFZSA-N 1 0 442.520 0.488 20 0 IBADRO C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000441717319 1072316831 /nfs/dbraw/zinc/31/68/31/1072316831.db2.gz PQPWSHRERCRUDM-OXQOHEQNSA-N 1 0 442.520 0.488 20 0 IBADRO C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000441717323 1072316954 /nfs/dbraw/zinc/31/69/54/1072316954.db2.gz PQPWSHRERCRUDM-UZLBHIALSA-N 1 0 442.520 0.488 20 0 IBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCNS(=O)(=O)CC ZINC000441736645 1072318589 /nfs/dbraw/zinc/31/85/89/1072318589.db2.gz BHDYXSAYLLZGGU-UHFFFAOYSA-N 1 0 441.554 -0.169 20 0 IBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc2)CC1 ZINC000441739984 1072319026 /nfs/dbraw/zinc/31/90/26/1072319026.db2.gz MWCDKMCNSMFBHC-UHFFFAOYSA-N 1 0 441.554 -0.693 20 0 IBADRO CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000441742629 1072318927 /nfs/dbraw/zinc/31/89/27/1072318927.db2.gz QPBSDOXHWWOSMD-UHFFFAOYSA-N 1 0 441.554 -0.693 20 0 IBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCCNS(C)(=O)=O ZINC000441743948 1072319466 /nfs/dbraw/zinc/31/94/66/1072319466.db2.gz WKHMVYLIEMYRMR-UHFFFAOYSA-N 1 0 441.554 -0.169 20 0 IBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCC[N@H+](C)CCOC)CC2 ZINC000441762895 1072321004 /nfs/dbraw/zinc/32/10/04/1072321004.db2.gz JFRJSKMWMDXMQE-UHFFFAOYSA-N 1 0 426.539 -0.042 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 ZINC000441764577 1072321026 /nfs/dbraw/zinc/32/10/26/1072321026.db2.gz QQMBNUDBJSINNC-GOSISDBHSA-N 1 0 442.520 -0.031 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 ZINC000441764580 1072321075 /nfs/dbraw/zinc/32/10/75/1072321075.db2.gz QQMBNUDBJSINNC-SFHVURJKSA-N 1 0 442.520 -0.031 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NCc3cn(CC(=O)OC)nn3)cc2)CC1 ZINC000441774626 1072321471 /nfs/dbraw/zinc/32/14/71/1072321471.db2.gz JGWWUUHTNMVXHV-UHFFFAOYSA-N 1 0 443.508 -0.157 20 0 IBADRO COC(=O)Cn1cc(CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)nn1 ZINC000441776770 1072321696 /nfs/dbraw/zinc/32/16/96/1072321696.db2.gz KJRJIJXMEIFODK-UHFFFAOYSA-N 1 0 429.481 -0.547 20 0 IBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)CC1)N1CCOCC1 ZINC000441817840 1072340105 /nfs/dbraw/zinc/34/01/05/1072340105.db2.gz STEGVHZFBHBWSI-FQEVSTJZSA-N 1 0 437.585 -0.824 20 0 IBADRO O=C(CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CC1)N1CCOCC1 ZINC000441817844 1072339988 /nfs/dbraw/zinc/33/99/88/1072339988.db2.gz STEGVHZFBHBWSI-HXUWFJFHSA-N 1 0 437.585 -0.824 20 0 IBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCc4ccc(S(=O)(=O)NC)cc43)C2)CC1 ZINC000441825499 1072357444 /nfs/dbraw/zinc/35/74/44/1072357444.db2.gz RRWKVSDLKJIPEB-KRWDZBQOSA-N 1 0 449.577 -0.278 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCc4ccc(S(=O)(=O)NC)cc43)C2)CC1 ZINC000441825505 1072357465 /nfs/dbraw/zinc/35/74/65/1072357465.db2.gz RRWKVSDLKJIPEB-QGZVFWFLSA-N 1 0 449.577 -0.278 20 0 IBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(OC)c(-n4cnnn4)c3)C2)CC1 ZINC000441826467 1072359025 /nfs/dbraw/zinc/35/90/25/1072359025.db2.gz UBVBYUXAHRXPGF-INIZCTEOSA-N 1 0 428.497 -0.152 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(OC)c(-n4cnnn4)c3)C2)CC1 ZINC000441826469 1072359052 /nfs/dbraw/zinc/35/90/52/1072359052.db2.gz UBVBYUXAHRXPGF-MRXNPFEDSA-N 1 0 428.497 -0.152 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441826791 1072358622 /nfs/dbraw/zinc/35/86/22/1072358622.db2.gz KYGKRKXLKBUHMC-UHFFFAOYSA-N 1 0 444.496 -0.378 20 0 IBADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441832885 1072364519 /nfs/dbraw/zinc/36/45/19/1072364519.db2.gz KQWLABWTMBVNLI-UHFFFAOYSA-N 1 0 435.525 -0.284 20 0 IBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000441833624 1072365003 /nfs/dbraw/zinc/36/50/03/1072365003.db2.gz KOKZAMDQHGCRNP-UHFFFAOYSA-N 1 0 428.511 -0.660 20 0 IBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000441833915 1072364982 /nfs/dbraw/zinc/36/49/82/1072364982.db2.gz LLYOKOBZISSFSL-UHFFFAOYSA-N 1 0 449.552 -0.007 20 0 IBADRO COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1-n1cnnn1 ZINC000441835263 1072364930 /nfs/dbraw/zinc/36/49/30/1072364930.db2.gz HDWOFVLULYUGRG-HNNXBMFYSA-N 1 0 444.496 -0.332 20 0 IBADRO COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1-n1cnnn1 ZINC000441835264 1072364901 /nfs/dbraw/zinc/36/49/01/1072364901.db2.gz HDWOFVLULYUGRG-OAHLLOKOSA-N 1 0 444.496 -0.332 20 0 IBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000441835282 1072364809 /nfs/dbraw/zinc/36/48/09/1072364809.db2.gz PXCMCEWFEJQNMG-GOSISDBHSA-N 1 0 434.493 -0.666 20 0 IBADRO C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000441835283 1072364825 /nfs/dbraw/zinc/36/48/25/1072364825.db2.gz PXCMCEWFEJQNMG-SFHVURJKSA-N 1 0 434.493 -0.666 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000441836094 1072364877 /nfs/dbraw/zinc/36/48/77/1072364877.db2.gz XIFRKKKIFPRGNH-UHFFFAOYSA-N 1 0 431.493 -0.007 20 0 IBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCOC)CC[NH+](C)C)CC2 ZINC000441836273 1072365020 /nfs/dbraw/zinc/36/50/20/1072365020.db2.gz DULUIEJUXYUZBP-UHFFFAOYSA-N 1 0 426.539 -0.090 20 0 IBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000441841737 1072365456 /nfs/dbraw/zinc/36/54/56/1072365456.db2.gz LUMABAZWOIPVPB-UHFFFAOYSA-N 1 0 432.525 -0.227 20 0 IBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000441842094 1072364795 /nfs/dbraw/zinc/36/47/95/1072364795.db2.gz MFKCLVVAPMMWIT-UHFFFAOYSA-N 1 0 441.554 -0.744 20 0 IBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCOCC[NH+](C)C)c2)CC1 ZINC000441843378 1072364483 /nfs/dbraw/zinc/36/44/83/1072364483.db2.gz AGKXCHAERUIRON-UHFFFAOYSA-N 1 0 441.554 -0.744 20 0 IBADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441843647 1072364474 /nfs/dbraw/zinc/36/44/74/1072364474.db2.gz PAXHOTSDTMAXPB-UHFFFAOYSA-N 1 0 429.543 -0.364 20 0 IBADRO COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441846877 1072366443 /nfs/dbraw/zinc/36/64/43/1072366443.db2.gz LPCIOIZJXBPSDA-UHFFFAOYSA-N 1 0 442.538 -0.437 20 0 IBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000441847916 1072366409 /nfs/dbraw/zinc/36/64/09/1072366409.db2.gz NVDWYHSBGHWZHJ-UHFFFAOYSA-N 1 0 428.511 -0.660 20 0 IBADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000441848657 1072366528 /nfs/dbraw/zinc/36/65/28/1072366528.db2.gz YEHHHAJWSOAVQI-UHFFFAOYSA-N 1 0 442.538 -0.351 20 0 IBADRO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc21 ZINC000441852347 1072366844 /nfs/dbraw/zinc/36/68/44/1072366844.db2.gz XSGDEGXZAJDBIU-UHFFFAOYSA-N 1 0 429.477 -0.253 20 0 IBADRO COc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1-n1cnnn1 ZINC000441856665 1072365513 /nfs/dbraw/zinc/36/55/13/1072365513.db2.gz TXJIOJQPKSNUQK-UHFFFAOYSA-N 1 0 442.480 -0.624 20 0 IBADRO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CCO1 ZINC000441857857 1072365353 /nfs/dbraw/zinc/36/53/53/1072365353.db2.gz MRUMKGHKMLWTCO-GOSISDBHSA-N 1 0 434.493 -0.348 20 0 IBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CCO1 ZINC000441857858 1072365387 /nfs/dbraw/zinc/36/53/87/1072365387.db2.gz MRUMKGHKMLWTCO-SFHVURJKSA-N 1 0 434.493 -0.348 20 0 IBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCN1C(=O)CNC1=O ZINC000441861432 1072365887 /nfs/dbraw/zinc/36/58/87/1072365887.db2.gz DAZRGVWKMAICDQ-UHFFFAOYSA-N 1 0 432.481 -0.556 20 0 IBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000441865047 1072365794 /nfs/dbraw/zinc/36/57/94/1072365794.db2.gz JEXASHPQDNAITE-INIZCTEOSA-N 1 0 438.550 -0.307 20 0 IBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000441865052 1072366434 /nfs/dbraw/zinc/36/64/34/1072366434.db2.gz JEXASHPQDNAITE-MRXNPFEDSA-N 1 0 438.550 -0.307 20 0 IBADRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000441866786 1072366970 /nfs/dbraw/zinc/36/69/70/1072366970.db2.gz SKDOIZXCIBYEHI-UHFFFAOYSA-N 1 0 446.501 -0.521 20 0 IBADRO NC(=O)COCCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000441890678 1072369166 /nfs/dbraw/zinc/36/91/66/1072369166.db2.gz OQIWFVMHLKUFPQ-UHFFFAOYSA-N 1 0 440.504 -0.040 20 0 IBADRO C[N@@H+]1CCN(CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1(C)C ZINC000441895748 1072369019 /nfs/dbraw/zinc/36/90/19/1072369019.db2.gz XVUGSRSDZXADJV-UHFFFAOYSA-N 1 0 432.573 -0.160 20 0 IBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)CC2 ZINC000441898972 1072369088 /nfs/dbraw/zinc/36/90/88/1072369088.db2.gz 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COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000441994839 1072381528 /nfs/dbraw/zinc/38/15/28/1072381528.db2.gz BPBVJKLEAGTYHG-APWZRJJASA-N 1 0 446.504 -0.524 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000441994844 1072381747 /nfs/dbraw/zinc/38/17/47/1072381747.db2.gz BPBVJKLEAGTYHG-LPHOPBHVSA-N 1 0 446.504 -0.524 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000441994846 1072381555 /nfs/dbraw/zinc/38/15/55/1072381555.db2.gz BPBVJKLEAGTYHG-QFBILLFUSA-N 1 0 446.504 -0.524 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000441994847 1072381579 /nfs/dbraw/zinc/38/15/79/1072381579.db2.gz BPBVJKLEAGTYHG-VQIMIIECSA-N 1 0 446.504 -0.524 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)c(C)c2)CC1 ZINC000441995884 1072381721 /nfs/dbraw/zinc/38/17/21/1072381721.db2.gz YUDSHLXRDWSJAK-KRWDZBQOSA-N 1 0 442.520 -0.755 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)c(C)c2)CC1 ZINC000441995885 1072381611 /nfs/dbraw/zinc/38/16/11/1072381611.db2.gz YUDSHLXRDWSJAK-QGZVFWFLSA-N 1 0 442.520 -0.755 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000441996651 1072375118 /nfs/dbraw/zinc/37/51/18/1072375118.db2.gz FLXJGJFQDGEUKV-GOSISDBHSA-N 1 0 433.509 -0.267 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000441996656 1072375176 /nfs/dbraw/zinc/37/51/76/1072375176.db2.gz FLXJGJFQDGEUKV-SFHVURJKSA-N 1 0 433.509 -0.267 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)C1 ZINC000441996879 1072375148 /nfs/dbraw/zinc/37/51/48/1072375148.db2.gz GEYZXVQLCKFGFA-AWEZNQCLSA-N 1 0 440.522 -0.089 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)C1 ZINC000441996881 1072375069 /nfs/dbraw/zinc/37/50/69/1072375069.db2.gz GEYZXVQLCKFGFA-CQSZACIVSA-N 1 0 440.522 -0.089 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000441997553 1072375642 /nfs/dbraw/zinc/37/56/42/1072375642.db2.gz HOHNPILSPLGLMQ-INIZCTEOSA-N 1 0 440.522 -0.517 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000441997556 1072375540 /nfs/dbraw/zinc/37/55/40/1072375540.db2.gz HOHNPILSPLGLMQ-MRXNPFEDSA-N 1 0 440.522 -0.517 20 0 IBADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000441998167 1072375588 /nfs/dbraw/zinc/37/55/88/1072375588.db2.gz GFSJQXJEFQHTEH-INIZCTEOSA-N 1 0 431.493 -0.485 20 0 IBADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000441998169 1072375678 /nfs/dbraw/zinc/37/56/78/1072375678.db2.gz GFSJQXJEFQHTEH-MRXNPFEDSA-N 1 0 431.493 -0.485 20 0 IBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCCNc3cnccn3)cc2)CC1 ZINC000441998728 1073312365 /nfs/dbraw/zinc/31/23/65/1073312365.db2.gz OUFVAAAXHGOXMK-UHFFFAOYSA-N 1 0 427.509 0.270 20 0 IBADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000441999262 1072376072 /nfs/dbraw/zinc/37/60/72/1072376072.db2.gz LCZGQCSLKPFIGT-HNNXBMFYSA-N 1 0 439.538 -0.622 20 0 IBADRO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000441999268 1072376126 /nfs/dbraw/zinc/37/61/26/1072376126.db2.gz LCZGQCSLKPFIGT-OAHLLOKOSA-N 1 0 439.538 -0.622 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1 ZINC000441999993 1072376808 /nfs/dbraw/zinc/37/68/08/1072376808.db2.gz MMPXYUMCPWTUKK-AWEZNQCLSA-N 1 0 441.554 -0.222 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1 ZINC000442000000 1072377045 /nfs/dbraw/zinc/37/70/45/1072377045.db2.gz MMPXYUMCPWTUKK-CQSZACIVSA-N 1 0 441.554 -0.222 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000442001699 1072377984 /nfs/dbraw/zinc/37/79/84/1072377984.db2.gz NCRMQPXWPAWOQU-INIZCTEOSA-N 1 0 440.522 -0.517 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000442001702 1072377950 /nfs/dbraw/zinc/37/79/50/1072377950.db2.gz NCRMQPXWPAWOQU-MRXNPFEDSA-N 1 0 440.522 -0.517 20 0 IBADRO COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1-n1cnnn1 ZINC000442003161 1072380286 /nfs/dbraw/zinc/38/02/86/1072380286.db2.gz SHHVVEMZESBPPL-CYBMUJFWSA-N 1 0 430.469 -0.687 20 0 IBADRO COc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1-n1cnnn1 ZINC000442003163 1072380067 /nfs/dbraw/zinc/38/00/67/1072380067.db2.gz SHHVVEMZESBPPL-ZDUSSCGKSA-N 1 0 430.469 -0.687 20 0 IBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCCCS(N)(=O)=O ZINC000442004283 1072383354 /nfs/dbraw/zinc/38/33/54/1072383354.db2.gz XECHDDHKMDGRKU-UHFFFAOYSA-N 1 0 427.527 -0.430 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)C1 ZINC000442005439 1072383362 /nfs/dbraw/zinc/38/33/62/1072383362.db2.gz SBYOJQCKBDVLIQ-GDBMZVCRSA-N 1 0 442.538 -0.225 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)C1 ZINC000442005444 1072383385 /nfs/dbraw/zinc/38/33/85/1072383385.db2.gz SBYOJQCKBDVLIQ-GOEBONIOSA-N 1 0 442.538 -0.225 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)C1 ZINC000442005447 1072383331 /nfs/dbraw/zinc/38/33/31/1072383331.db2.gz SBYOJQCKBDVLIQ-HOCLYGCPSA-N 1 0 442.538 -0.225 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)C1 ZINC000442005450 1072383838 /nfs/dbraw/zinc/38/38/38/1072383838.db2.gz SBYOJQCKBDVLIQ-ZBFHGGJFSA-N 1 0 442.538 -0.225 20 0 IBADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000442006818 1072384731 /nfs/dbraw/zinc/38/47/31/1072384731.db2.gz WUFSNEWUMZFQSS-HNNXBMFYSA-N 1 0 431.493 -0.485 20 0 IBADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000442006824 1072384757 /nfs/dbraw/zinc/38/47/57/1072384757.db2.gz WUFSNEWUMZFQSS-OAHLLOKOSA-N 1 0 431.493 -0.485 20 0 IBADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000442009779 1072385793 /nfs/dbraw/zinc/38/57/93/1072385793.db2.gz YSVCLEQFLDSNIH-GOSISDBHSA-N 1 0 427.505 -0.177 20 0 IBADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000442009780 1072385801 /nfs/dbraw/zinc/38/58/01/1072385801.db2.gz YSVCLEQFLDSNIH-SFHVURJKSA-N 1 0 427.505 -0.177 20 0 IBADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000442010530 1072386165 /nfs/dbraw/zinc/38/61/65/1072386165.db2.gz HWFVJRLJSMDEMV-HNNXBMFYSA-N 1 0 440.512 -0.432 20 0 IBADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000442010531 1072386234 /nfs/dbraw/zinc/38/62/34/1072386234.db2.gz HWFVJRLJSMDEMV-OAHLLOKOSA-N 1 0 440.512 -0.432 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)CN3CCOCC3)cc2)CC1 ZINC000442010838 1072386275 /nfs/dbraw/zinc/38/62/75/1072386275.db2.gz IXWWSKONPAJJJR-HSZRJFAPSA-N 1 0 447.580 -0.038 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)CN3CCOCC3)cc2)CC1 ZINC000442010839 1072386184 /nfs/dbraw/zinc/38/61/84/1072386184.db2.gz IXWWSKONPAJJJR-QHCPKHFHSA-N 1 0 447.580 -0.038 20 0 IBADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000442010968 1072386069 /nfs/dbraw/zinc/38/60/69/1072386069.db2.gz KZLKRHCYXNKCNX-KRWDZBQOSA-N 1 0 445.545 -0.614 20 0 IBADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000442010972 1072386129 /nfs/dbraw/zinc/38/61/29/1072386129.db2.gz KZLKRHCYXNKCNX-QGZVFWFLSA-N 1 0 445.545 -0.614 20 0 IBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1Cl ZINC000442016068 1072381692 /nfs/dbraw/zinc/38/16/92/1072381692.db2.gz XMXVJZRDAHGCGI-CYBMUJFWSA-N 1 0 437.884 -0.612 20 0 IBADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1Cl ZINC000442016069 1072381661 /nfs/dbraw/zinc/38/16/61/1072381661.db2.gz XMXVJZRDAHGCGI-ZDUSSCGKSA-N 1 0 437.884 -0.612 20 0 IBADRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1NC(=O)CC[NH+](C)C ZINC000442017786 1072382722 /nfs/dbraw/zinc/38/27/22/1072382722.db2.gz KQSJKVLGXFNYEQ-HNNXBMFYSA-N 1 0 430.465 -0.414 20 0 IBADRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1NC(=O)CC[NH+](C)C ZINC000442017787 1072382709 /nfs/dbraw/zinc/38/27/09/1072382709.db2.gz KQSJKVLGXFNYEQ-OAHLLOKOSA-N 1 0 430.465 -0.414 20 0 IBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000442018041 1072382661 /nfs/dbraw/zinc/38/26/61/1072382661.db2.gz LYJQDSGWSAMLEV-INIZCTEOSA-N 1 0 442.476 -0.835 20 0 IBADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000442018042 1072382689 /nfs/dbraw/zinc/38/26/89/1072382689.db2.gz LYJQDSGWSAMLEV-MRXNPFEDSA-N 1 0 442.476 -0.835 20 0 IBADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000442028917 1072391730 /nfs/dbraw/zinc/39/17/30/1072391730.db2.gz KKTRTNNEPWHYAS-INIZCTEOSA-N 1 0 431.518 -0.021 20 0 IBADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000442028919 1072391834 /nfs/dbraw/zinc/39/18/34/1072391834.db2.gz KKTRTNNEPWHYAS-MRXNPFEDSA-N 1 0 431.518 -0.021 20 0 IBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000442029410 1072391925 /nfs/dbraw/zinc/39/19/25/1072391925.db2.gz KSOWEMUSELOUKH-KRWDZBQOSA-N 1 0 444.492 -0.986 20 0 IBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2)CC1 ZINC000442029414 1072391856 /nfs/dbraw/zinc/39/18/56/1072391856.db2.gz KSOWEMUSELOUKH-QGZVFWFLSA-N 1 0 444.492 -0.986 20 0 IBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000442032576 1072393541 /nfs/dbraw/zinc/39/35/41/1072393541.db2.gz ODGRBMXNHXTLNT-INIZCTEOSA-N 1 0 444.492 -0.462 20 0 IBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000442032577 1072393708 /nfs/dbraw/zinc/39/37/08/1072393708.db2.gz ODGRBMXNHXTLNT-MRXNPFEDSA-N 1 0 444.492 -0.462 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c(C)c2)CC1 ZINC000442032765 1072393728 /nfs/dbraw/zinc/39/37/28/1072393728.db2.gz OKVFSWSDUGNRQJ-KRWDZBQOSA-N 1 0 428.493 -0.162 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c(C)c2)CC1 ZINC000442032767 1072393671 /nfs/dbraw/zinc/39/36/71/1072393671.db2.gz OKVFSWSDUGNRQJ-QGZVFWFLSA-N 1 0 428.493 -0.162 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@](C)(O)CN3CCOCC3)c2)CC1 ZINC000442032819 1072393589 /nfs/dbraw/zinc/39/35/89/1072393589.db2.gz OQDPXRCYTMUWFT-JOCHJYFZSA-N 1 0 433.553 -0.428 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)CN3CCOCC3)c2)CC1 ZINC000442032821 1072393024 /nfs/dbraw/zinc/39/30/24/1072393024.db2.gz OQDPXRCYTMUWFT-QFIPXVFZSA-N 1 0 433.553 -0.428 20 0 IBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)cc1 ZINC000442034776 1072394071 /nfs/dbraw/zinc/39/40/71/1072394071.db2.gz RDSGASKVVIBEBI-NRFANRHFSA-N 1 0 435.525 -0.285 20 0 IBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 ZINC000442034779 1072394021 /nfs/dbraw/zinc/39/40/21/1072394021.db2.gz RDSGASKVVIBEBI-OAQYLSRUSA-N 1 0 435.525 -0.285 20 0 IBADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000442037452 1072394633 /nfs/dbraw/zinc/39/46/33/1072394633.db2.gz WHMXFWSVWNWQON-GOSISDBHSA-N 1 0 440.504 -0.080 20 0 IBADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000442037455 1072394764 /nfs/dbraw/zinc/39/47/64/1072394764.db2.gz WHMXFWSVWNWQON-SFHVURJKSA-N 1 0 440.504 -0.080 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000442037977 1072395030 /nfs/dbraw/zinc/39/50/30/1072395030.db2.gz WPYAKHOOTKOTSK-KRWDZBQOSA-N 1 0 428.493 -0.475 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2)CC1 ZINC000442037979 1072395187 /nfs/dbraw/zinc/39/51/87/1072395187.db2.gz WPYAKHOOTKOTSK-QGZVFWFLSA-N 1 0 428.493 -0.475 20 0 IBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000442039357 1072388180 /nfs/dbraw/zinc/38/81/80/1072388180.db2.gz AXWKATKBQIIYNC-INIZCTEOSA-N 1 0 444.492 -0.541 20 0 IBADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000442039358 1072388318 /nfs/dbraw/zinc/38/83/18/1072388318.db2.gz AXWKATKBQIIYNC-MRXNPFEDSA-N 1 0 444.492 -0.541 20 0 IBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2)CC1 ZINC000442045341 1072398387 /nfs/dbraw/zinc/39/83/87/1072398387.db2.gz MYHKBNKIDCNDBL-KRWDZBQOSA-N 1 0 428.493 -0.082 20 0 IBADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)CC1 ZINC000442045343 1072398404 /nfs/dbraw/zinc/39/84/04/1072398404.db2.gz MYHKBNKIDCNDBL-QGZVFWFLSA-N 1 0 428.493 -0.082 20 0 IBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@](C)(O)CN3CCOCC3)cc21 ZINC000442055283 1072396148 /nfs/dbraw/zinc/39/61/48/1072396148.db2.gz KMXVPCZOGBQPHX-NRFANRHFSA-N 1 0 449.508 -0.706 20 0 IBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@@](C)(O)CN3CCOCC3)cc21 ZINC000442055286 1072396466 /nfs/dbraw/zinc/39/64/66/1072396466.db2.gz KMXVPCZOGBQPHX-OAQYLSRUSA-N 1 0 449.508 -0.706 20 0 IBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC[N@H+](C)CCCOC)CC2 ZINC000442117679 1072403912 /nfs/dbraw/zinc/40/39/12/1072403912.db2.gz BQCAEIMOCZVWJF-UHFFFAOYSA-N 1 0 426.539 -0.042 20 0 IBADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000442120643 1072403873 /nfs/dbraw/zinc/40/38/73/1072403873.db2.gz DSUCLKVLZXOLOZ-DZGCQCFKSA-N 1 0 437.522 -0.656 20 0 IBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000442120644 1072403819 /nfs/dbraw/zinc/40/38/19/1072403819.db2.gz DSUCLKVLZXOLOZ-HIFRSBDPSA-N 1 0 437.522 -0.656 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000442120645 1072403857 /nfs/dbraw/zinc/40/38/57/1072403857.db2.gz DSUCLKVLZXOLOZ-UKRRQHHQSA-N 1 0 437.522 -0.656 20 0 IBADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000442120646 1072403983 /nfs/dbraw/zinc/40/39/83/1072403983.db2.gz DSUCLKVLZXOLOZ-ZFWWWQNUSA-N 1 0 437.522 -0.656 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)c2)CC1 ZINC000442131899 1072404484 /nfs/dbraw/zinc/40/44/84/1072404484.db2.gz KHILCAOFJJJDKW-AOMKIAJQSA-N 1 0 442.520 -0.133 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)c2)CC1 ZINC000442131901 1072404564 /nfs/dbraw/zinc/40/45/64/1072404564.db2.gz KHILCAOFJJJDKW-KSFYIVLOSA-N 1 0 442.520 -0.133 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)c2)CC1 ZINC000442131903 1072404552 /nfs/dbraw/zinc/40/45/52/1072404552.db2.gz KHILCAOFJJJDKW-OPAMFIHVSA-N 1 0 442.520 -0.133 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)c2)CC1 ZINC000442131906 1072404408 /nfs/dbraw/zinc/40/44/08/1072404408.db2.gz KHILCAOFJJJDKW-ZHRRBRCNSA-N 1 0 442.520 -0.133 20 0 IBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442138994 1072404470 /nfs/dbraw/zinc/40/44/70/1072404470.db2.gz ZXEBOQYQTFTXIX-UHFFFAOYSA-N 1 0 442.538 -0.270 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)cn1 ZINC000442158736 1072406519 /nfs/dbraw/zinc/40/65/19/1072406519.db2.gz QSIIVQOFQIXLKF-OAHLLOKOSA-N 1 0 436.513 -0.168 20 0 IBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000442161030 1072406690 /nfs/dbraw/zinc/40/66/90/1072406690.db2.gz AAOYVKORNXSEDT-UHFFFAOYSA-N 1 0 446.501 -0.473 20 0 IBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000442161146 1072406389 /nfs/dbraw/zinc/40/63/89/1072406389.db2.gz ZGPXKXNDBADJFE-IBGZPJMESA-N 1 0 448.520 -0.276 20 0 IBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000442161149 1072406472 /nfs/dbraw/zinc/40/64/72/1072406472.db2.gz ZGPXKXNDBADJFE-LJQANCHMSA-N 1 0 448.520 -0.276 20 0 IBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000442163381 1072405759 /nfs/dbraw/zinc/40/57/59/1072405759.db2.gz PZHNZLKYOWPXRB-UHFFFAOYSA-N 1 0 426.539 -0.056 20 0 IBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000442164519 1072405963 /nfs/dbraw/zinc/40/59/63/1072405963.db2.gz DBAFSNQXRVPEPY-UHFFFAOYSA-N 1 0 442.538 -0.303 20 0 IBADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442174932 1072407019 /nfs/dbraw/zinc/40/70/19/1072407019.db2.gz SDMUEDXLDXCFTB-UHFFFAOYSA-N 1 0 442.538 -0.270 20 0 IBADRO COCC[NH2+]CCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000442180640 1072407060 /nfs/dbraw/zinc/40/70/60/1072407060.db2.gz HFJVVYHLOWOWLF-GOSISDBHSA-N 1 0 434.493 -0.618 20 0 IBADRO COCC[NH2+]CCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000442180641 1072407239 /nfs/dbraw/zinc/40/72/39/1072407239.db2.gz HFJVVYHLOWOWLF-SFHVURJKSA-N 1 0 434.493 -0.618 20 0 IBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000442180749 1072407093 /nfs/dbraw/zinc/40/70/93/1072407093.db2.gz HZCOLYDAYPTGBU-UHFFFAOYSA-N 1 0 441.554 -0.697 20 0 IBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000442182712 1072407895 /nfs/dbraw/zinc/40/78/95/1072407895.db2.gz IZFNCOMDTMHZME-DLBZAZTESA-N 1 0 431.493 -0.496 20 0 IBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000442182730 1072407868 /nfs/dbraw/zinc/40/78/68/1072407868.db2.gz IZFNCOMDTMHZME-IAGOWNOFSA-N 1 0 431.493 -0.496 20 0 IBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000442182731 1072407819 /nfs/dbraw/zinc/40/78/19/1072407819.db2.gz IZFNCOMDTMHZME-IRXDYDNUSA-N 1 0 431.493 -0.496 20 0 IBADRO CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000442182733 1072407908 /nfs/dbraw/zinc/40/79/08/1072407908.db2.gz IZFNCOMDTMHZME-SJORKVTESA-N 1 0 431.493 -0.496 20 0 IBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442189369 1072407047 /nfs/dbraw/zinc/40/70/47/1072407047.db2.gz OLFSNKAFIGJCNS-UHFFFAOYSA-N 1 0 428.511 -0.612 20 0 IBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442191930 1072407192 /nfs/dbraw/zinc/40/71/92/1072407192.db2.gz DSOFIOKQVKDCHK-UHFFFAOYSA-N 1 0 428.511 -0.612 20 0 IBADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000442205778 1072407966 /nfs/dbraw/zinc/40/79/66/1072407966.db2.gz DEGCSGGKHOBKHN-UHFFFAOYSA-N 1 0 441.554 -0.697 20 0 IBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000442220290 1072409645 /nfs/dbraw/zinc/40/96/45/1072409645.db2.gz DTQCDJSVODZXFC-HNNXBMFYSA-N 1 0 432.477 -0.291 20 0 IBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000442220291 1072409676 /nfs/dbraw/zinc/40/96/76/1072409676.db2.gz DTQCDJSVODZXFC-OAHLLOKOSA-N 1 0 432.477 -0.291 20 0 IBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000442238864 1072410124 /nfs/dbraw/zinc/41/01/24/1072410124.db2.gz RUPAJHIDYMOFLW-KRWDZBQOSA-N 1 0 446.504 -0.363 20 0 IBADRO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000442238867 1072410027 /nfs/dbraw/zinc/41/00/27/1072410027.db2.gz RUPAJHIDYMOFLW-QGZVFWFLSA-N 1 0 446.504 -0.363 20 0 IBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000442243137 1072410707 /nfs/dbraw/zinc/41/07/07/1072410707.db2.gz USEZOXGIWYYHRR-HNNXBMFYSA-N 1 0 436.534 -0.336 20 0 IBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000442243138 1072410780 /nfs/dbraw/zinc/41/07/80/1072410780.db2.gz USEZOXGIWYYHRR-OAHLLOKOSA-N 1 0 436.534 -0.336 20 0 IBADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000442256393 1072415629 /nfs/dbraw/zinc/41/56/29/1072415629.db2.gz LZEGOHQMIQQQOT-INIZCTEOSA-N 1 0 447.517 -0.782 20 0 IBADRO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000442256644 1072415588 /nfs/dbraw/zinc/41/55/88/1072415588.db2.gz LZEGOHQMIQQQOT-MRXNPFEDSA-N 1 0 447.517 -0.782 20 0 IBADRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1NC(=O)CC[NH+](C)C ZINC000442269419 1072413731 /nfs/dbraw/zinc/41/37/31/1072413731.db2.gz JQCWIGCPPOVHLZ-INIZCTEOSA-N 1 0 433.509 -0.077 20 0 IBADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1NC(=O)CC[NH+](C)C ZINC000442269420 1072413748 /nfs/dbraw/zinc/41/37/48/1072413748.db2.gz JQCWIGCPPOVHLZ-MRXNPFEDSA-N 1 0 433.509 -0.077 20 0 IBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442269476 1072413693 /nfs/dbraw/zinc/41/36/93/1072413693.db2.gz YTQNFTHZQDRKJM-IBGZPJMESA-N 1 0 447.536 -0.649 20 0 IBADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442269486 1072413740 /nfs/dbraw/zinc/41/37/40/1072413740.db2.gz YTQNFTHZQDRKJM-LJQANCHMSA-N 1 0 447.536 -0.649 20 0 IBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc21 ZINC000442273032 1072414377 /nfs/dbraw/zinc/41/43/77/1072414377.db2.gz OVPWUVBZTHDQFE-AWEZNQCLSA-N 1 0 433.465 -0.806 20 0 IBADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc21 ZINC000442273038 1072414253 /nfs/dbraw/zinc/41/42/53/1072414253.db2.gz OVPWUVBZTHDQFE-CQSZACIVSA-N 1 0 433.465 -0.806 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442278494 1072416242 /nfs/dbraw/zinc/41/62/42/1072416242.db2.gz XECAPZMODSMDOF-IBGZPJMESA-N 1 0 431.537 -0.138 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442278496 1072416255 /nfs/dbraw/zinc/41/62/55/1072416255.db2.gz XECAPZMODSMDOF-LJQANCHMSA-N 1 0 431.537 -0.138 20 0 IBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O ZINC000442287172 1072418375 /nfs/dbraw/zinc/41/83/75/1072418375.db2.gz WKVHPWZFJHOYII-GOSISDBHSA-N 1 0 447.536 -0.125 20 0 IBADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O ZINC000442287175 1072418420 /nfs/dbraw/zinc/41/84/20/1072418420.db2.gz WKVHPWZFJHOYII-SFHVURJKSA-N 1 0 447.536 -0.125 20 0 IBADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[N@@H+]1C1CC1 ZINC000442308344 1072423119 /nfs/dbraw/zinc/42/31/19/1072423119.db2.gz AVMWHYKDBVDTNS-DZGCQCFKSA-N 1 0 449.533 -0.513 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[N@@H+]1C1CC1 ZINC000442308346 1072423091 /nfs/dbraw/zinc/42/30/91/1072423091.db2.gz AVMWHYKDBVDTNS-HIFRSBDPSA-N 1 0 449.533 -0.513 20 0 IBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[N@@H+]1C1CC1 ZINC000442308348 1072422935 /nfs/dbraw/zinc/42/29/35/1072422935.db2.gz AVMWHYKDBVDTNS-UKRRQHHQSA-N 1 0 449.533 -0.513 20 0 IBADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[N@@H+]1C1CC1 ZINC000442308350 1072423042 /nfs/dbraw/zinc/42/30/42/1072423042.db2.gz AVMWHYKDBVDTNS-ZFWWWQNUSA-N 1 0 449.533 -0.513 20 0 IBADRO CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCc3ccc(C(N)=O)nc3)cc2)CC1 ZINC000442319389 1072424859 /nfs/dbraw/zinc/42/48/59/1072424859.db2.gz BXQVSTXYQHJQON-UHFFFAOYSA-N 1 0 438.488 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CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 ZINC000445916789 1072710033 /nfs/dbraw/zinc/71/00/33/1072710033.db2.gz CDMDUMDOZJTWDE-UHFFFAOYSA-N 1 0 425.555 -0.029 20 0 IBADRO COc1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000445919202 1072710242 /nfs/dbraw/zinc/71/02/42/1072710242.db2.gz HUVLNAFOZNLNMP-UHFFFAOYSA-N 1 0 428.511 -0.325 20 0 IBADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)N(C)CC[NH+](C)C)c1 ZINC000445920260 1072710096 /nfs/dbraw/zinc/71/00/96/1072710096.db2.gz VAXUDZCBRRKORZ-UHFFFAOYSA-N 1 0 441.554 -0.268 20 0 IBADRO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000445920592 1072710131 /nfs/dbraw/zinc/71/01/31/1072710131.db2.gz WEPDVCPJESRJAS-UHFFFAOYSA-N 1 0 441.554 -0.410 20 0 IBADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000445924208 1072710703 /nfs/dbraw/zinc/71/07/03/1072710703.db2.gz KKQUPUDASJQJLS-UHFFFAOYSA-N 1 0 431.537 -0.268 20 0 IBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000445936075 1072712004 /nfs/dbraw/zinc/71/20/04/1072712004.db2.gz WLTXEBNKJWUQEV-AWEZNQCLSA-N 1 0 442.586 -0.170 20 0 IBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000445936076 1072711990 /nfs/dbraw/zinc/71/19/90/1072711990.db2.gz WLTXEBNKJWUQEV-CQSZACIVSA-N 1 0 442.586 -0.170 20 0 IBADRO CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000445936270 1072711962 /nfs/dbraw/zinc/71/19/62/1072711962.db2.gz YQRVDFKEEMDFRW-UHFFFAOYSA-N 1 0 425.555 -0.029 20 0 IBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000445936817 1072711975 /nfs/dbraw/zinc/71/19/75/1072711975.db2.gz FGEAHMOEUBSVFY-UHFFFAOYSA-N 1 0 428.511 -0.325 20 0 IBADRO O=C(C[N@H+]1CC[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000446019334 1072715630 /nfs/dbraw/zinc/71/56/30/1072715630.db2.gz ITTZOECPBAFGPV-MRXNPFEDSA-N 1 0 439.534 -0.005 20 0 IBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](CO)C3)CC2)cc1OC ZINC000446020641 1072715501 /nfs/dbraw/zinc/71/55/01/1072715501.db2.gz OXBSSRSLFFVILD-OAHLLOKOSA-N 1 0 427.523 -0.149 20 0 IBADRO O=C(C[N@H+]1CC[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000446035564 1072716529 /nfs/dbraw/zinc/71/65/29/1072716529.db2.gz MGGACBCOYCPTCC-OAHLLOKOSA-N 1 0 425.507 -0.395 20 0 IBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](CO)C3)CC2)c1 ZINC000446037189 1072716761 /nfs/dbraw/zinc/71/67/61/1072716761.db2.gz NJSQSVHXOWZWHC-OAHLLOKOSA-N 1 0 427.523 -0.149 20 0 IBADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000446057234 1072717836 /nfs/dbraw/zinc/71/78/36/1072717836.db2.gz YFNPBOZTNWCQPG-AWEZNQCLSA-N 1 0 436.538 -0.305 20 0 IBADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000446057237 1072717809 /nfs/dbraw/zinc/71/78/09/1072717809.db2.gz YFNPBOZTNWCQPG-CQSZACIVSA-N 1 0 436.538 -0.305 20 0 IBADRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)CC1(CO)CC1 ZINC000446069357 1072718089 /nfs/dbraw/zinc/71/80/89/1072718089.db2.gz FJDAGJRLIWOZDL-UHFFFAOYSA-N 1 0 439.534 -0.005 20 0 IBADRO COCCC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000446072570 1072718144 /nfs/dbraw/zinc/71/81/44/1072718144.db2.gz QIYWVCWHERXMOT-UHFFFAOYSA-N 1 0 429.539 -0.141 20 0 IBADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000446326748 1073308802 /nfs/dbraw/zinc/30/88/02/1073308802.db2.gz ORNCJFPKQQUQQG-UHFFFAOYSA-N 1 0 429.481 0.546 20 0 IBADRO Cc1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c(OCC[NH+](C)C)c1 ZINC000446511721 1072734153 /nfs/dbraw/zinc/73/41/53/1072734153.db2.gz WSYAZJZPZPJKLC-HNNXBMFYSA-N 1 0 427.523 -0.118 20 0 IBADRO Cc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c(OCC[NH+](C)C)c1 ZINC000446511722 1072734299 /nfs/dbraw/zinc/73/42/99/1072734299.db2.gz WSYAZJZPZPJKLC-OAHLLOKOSA-N 1 0 427.523 -0.118 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000446516971 1072733173 /nfs/dbraw/zinc/73/31/73/1072733173.db2.gz BJHPNWVITBAZOY-GOSISDBHSA-N 1 0 438.550 -0.620 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000446516972 1072733211 /nfs/dbraw/zinc/73/32/11/1072733211.db2.gz BJHPNWVITBAZOY-SFHVURJKSA-N 1 0 438.550 -0.620 20 0 IBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000446518548 1072733034 /nfs/dbraw/zinc/73/30/34/1072733034.db2.gz BIDILEDMELEVQL-GOSISDBHSA-N 1 0 438.550 -0.225 20 0 IBADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000446518550 1072733266 /nfs/dbraw/zinc/73/32/66/1072733266.db2.gz BIDILEDMELEVQL-SFHVURJKSA-N 1 0 438.550 -0.225 20 0 IBADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000446525005 1073333179 /nfs/dbraw/zinc/33/31/79/1073333179.db2.gz VPXSAAMCTWRQTR-CVEARBPZSA-N 1 0 433.490 0.401 20 0 IBADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000446525006 1072734694 /nfs/dbraw/zinc/73/46/94/1072734694.db2.gz VPXSAAMCTWRQTR-HOTGVXAUSA-N 1 0 433.490 0.401 20 0 IBADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000446525008 1072734822 /nfs/dbraw/zinc/73/48/22/1072734822.db2.gz VPXSAAMCTWRQTR-HZPDHXFCSA-N 1 0 433.490 0.401 20 0 IBADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000446525009 1072734876 /nfs/dbraw/zinc/73/48/76/1072734876.db2.gz VPXSAAMCTWRQTR-JKSUJKDBSA-N 1 0 433.490 0.401 20 0 IBADRO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000446713315 1072742576 /nfs/dbraw/zinc/74/25/76/1072742576.db2.gz WLXURUWCLNTOKX-UHFFFAOYSA-N 1 0 441.536 -0.156 20 0 IBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446713388 1073352332 /nfs/dbraw/zinc/35/23/32/1073352332.db2.gz XLURUSFCWHLGKA-INIZCTEOSA-N 1 0 433.557 -0.025 20 0 IBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446713389 1073309237 /nfs/dbraw/zinc/30/92/37/1073309237.db2.gz XLURUSFCWHLGKA-MRXNPFEDSA-N 1 0 433.557 -0.025 20 0 IBADRO CN(C(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1)C1CCCCC1 ZINC000446717448 1072743775 /nfs/dbraw/zinc/74/37/75/1072743775.db2.gz CDWXZYRTOYTLNY-UHFFFAOYSA-N 1 0 447.584 0.319 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000446717821 1072743735 /nfs/dbraw/zinc/74/37/35/1072743735.db2.gz VLUKWZUKVZEMBY-UHFFFAOYSA-N 1 0 449.556 -0.834 20 0 IBADRO Cn1cc(C(=O)NCC2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cn1 ZINC000446721775 1072743660 /nfs/dbraw/zinc/74/36/60/1072743660.db2.gz XLYNPHWTHOKNSK-UHFFFAOYSA-N 1 0 430.513 -0.215 20 0 IBADRO CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)s1 ZINC000446725169 1073342065 /nfs/dbraw/zinc/34/20/65/1073342065.db2.gz IBECRBFQIGHJQM-UHFFFAOYSA-N 1 0 449.537 0.365 20 0 IBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000446729963 1073334067 /nfs/dbraw/zinc/33/40/67/1073334067.db2.gz XTQRPYJKRRUWEQ-UHFFFAOYSA-N 1 0 448.568 0.115 20 0 IBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)Cc2ccccc2C1 ZINC000446732073 1073306688 /nfs/dbraw/zinc/30/66/88/1073306688.db2.gz OBIIQAGDNDLKDR-UHFFFAOYSA-N 1 0 440.548 0.369 20 0 IBADRO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000446732340 1072743134 /nfs/dbraw/zinc/74/31/34/1072743134.db2.gz QOELHGOSKPDYPR-UHFFFAOYSA-N 1 0 449.556 -0.834 20 0 IBADRO CCc1nsc(N2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)n1 ZINC000446733060 1072743046 /nfs/dbraw/zinc/74/30/46/1072743046.db2.gz ZKJXNXZDYFJDTQ-UHFFFAOYSA-N 1 0 448.553 -0.084 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)n1 ZINC000446733992 1072743107 /nfs/dbraw/zinc/74/31/07/1072743107.db2.gz IUPOJJFQEGBTJU-INIZCTEOSA-N 1 0 428.493 0.179 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)n1 ZINC000446733996 1073307698 /nfs/dbraw/zinc/30/76/98/1073307698.db2.gz IUPOJJFQEGBTJU-MRXNPFEDSA-N 1 0 428.493 0.179 20 0 IBADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1=O ZINC000446734665 1072743166 /nfs/dbraw/zinc/74/31/66/1072743166.db2.gz LQOKAKIVTQWUCA-CYBMUJFWSA-N 1 0 448.505 0.153 20 0 IBADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1=O ZINC000446734666 1073328512 /nfs/dbraw/zinc/32/85/12/1073328512.db2.gz LQOKAKIVTQWUCA-ZDUSSCGKSA-N 1 0 448.505 0.153 20 0 IBADRO C[N@H+](CCNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000446735966 1072743668 /nfs/dbraw/zinc/74/36/68/1072743668.db2.gz MLCAMRFILBZNRF-UHFFFAOYSA-N 1 0 432.500 0.541 20 0 IBADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000446738173 1073306804 /nfs/dbraw/zinc/30/68/04/1073306804.db2.gz FULCUNAWFAZIIE-UHFFFAOYSA-N 1 0 436.557 0.113 20 0 IBADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2=O)c1 ZINC000446741645 1073342449 /nfs/dbraw/zinc/34/24/49/1073342449.db2.gz OBGJEGTXXFBDTR-KRWDZBQOSA-N 1 0 444.492 0.322 20 0 IBADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2=O)c1 ZINC000446741647 1073342595 /nfs/dbraw/zinc/34/25/95/1073342595.db2.gz OBGJEGTXXFBDTR-QGZVFWFLSA-N 1 0 444.492 0.322 20 0 IBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000446762453 1072745749 /nfs/dbraw/zinc/74/57/49/1072745749.db2.gz TYNGYDPRQFMBSX-CYBMUJFWSA-N 1 0 446.430 -0.177 20 0 IBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000446762455 1072745848 /nfs/dbraw/zinc/74/58/48/1072745848.db2.gz TYNGYDPRQFMBSX-ZDUSSCGKSA-N 1 0 446.430 -0.177 20 0 IBADRO CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)cc1 ZINC000446764789 1072745786 /nfs/dbraw/zinc/74/57/86/1072745786.db2.gz LFAGKJCVOFTORJ-UHFFFAOYSA-N 1 0 448.505 -0.385 20 0 IBADRO NC(=O)[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000446766566 1072745774 /nfs/dbraw/zinc/74/57/74/1072745774.db2.gz 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C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000448479838 1072819134 /nfs/dbraw/zinc/81/91/34/1072819134.db2.gz VIPHNCVQLAATIP-UHFFFAOYSA-N 1 0 434.522 -0.084 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)n1 ZINC000448480310 1072819288 /nfs/dbraw/zinc/81/92/88/1072819288.db2.gz YJOURBLFCQMGLL-UHFFFAOYSA-N 1 0 433.557 -0.070 20 0 IBADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cc1 ZINC000448480444 1073342013 /nfs/dbraw/zinc/34/20/13/1073342013.db2.gz ZAKOAFLJZVUGGG-UHFFFAOYSA-N 1 0 448.549 0.225 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)n1 ZINC000448485407 1072817016 /nfs/dbraw/zinc/81/70/16/1072817016.db2.gz JKXGGDKGEKOFLQ-UHFFFAOYSA-N 1 0 441.536 -0.156 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000448485520 1072816928 /nfs/dbraw/zinc/81/69/28/1072816928.db2.gz ZZQFVXFTVUCTBF-UHFFFAOYSA-N 1 0 445.499 0.305 20 0 IBADRO COc1cccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)c1 ZINC000448485624 1073347673 /nfs/dbraw/zinc/34/76/73/1073347673.db2.gz KTHDUBUHMDETNZ-UHFFFAOYSA-N 1 0 428.493 0.376 20 0 IBADRO CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)CC1 ZINC000448485785 1072817028 /nfs/dbraw/zinc/81/70/28/1072817028.db2.gz MRLMSGBCSOKEJZ-UHFFFAOYSA-N 1 0 441.536 0.087 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000448486019 1072817459 /nfs/dbraw/zinc/81/74/59/1072817459.db2.gz PNLMYTNENNQLRP-UHFFFAOYSA-N 1 0 448.549 0.484 20 0 IBADRO COc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cc1 ZINC000448486427 1073343307 /nfs/dbraw/zinc/34/33/07/1073343307.db2.gz VCTCXUYXTFLCKT-UHFFFAOYSA-N 1 0 428.493 0.376 20 0 IBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000448488176 1072817483 /nfs/dbraw/zinc/81/74/83/1072817483.db2.gz AACMMSAHEJTAKF-UHFFFAOYSA-N 1 0 433.557 -0.606 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000448488361 1072817373 /nfs/dbraw/zinc/81/73/73/1072817373.db2.gz QQKSOFFQGFMJLP-UHFFFAOYSA-N 1 0 448.549 0.057 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)n1 ZINC000448488958 1072817361 /nfs/dbraw/zinc/81/73/61/1072817361.db2.gz UOGPYZOJZAFOBU-UHFFFAOYSA-N 1 0 448.549 0.353 20 0 IBADRO CNC(=O)Cn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000448488962 1073172509 /nfs/dbraw/zinc/17/25/09/1073172509.db2.gz UOQLSKMFPMWKGL-UHFFFAOYSA-N 1 0 427.509 -0.104 20 0 IBADRO CNC(=O)Cn1cc(NC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000448489044 1072818213 /nfs/dbraw/zinc/81/82/13/1072818213.db2.gz VOOGUBZFIXSOMM-UHFFFAOYSA-N 1 0 441.536 -0.108 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000448489082 1072817911 /nfs/dbraw/zinc/81/79/11/1072817911.db2.gz FUKABRLTRHFBJK-UHFFFAOYSA-N 1 0 442.476 0.097 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)n1 ZINC000448490632 1072818098 /nfs/dbraw/zinc/81/80/98/1072818098.db2.gz PFUJPUZVIWPGFH-UHFFFAOYSA-N 1 0 427.509 0.166 20 0 IBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448495020 1073312202 /nfs/dbraw/zinc/31/22/02/1073312202.db2.gz GORBCNMAZFXLTP-KRWDZBQOSA-N 1 0 433.557 -0.072 20 0 IBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448495021 1073354328 /nfs/dbraw/zinc/35/43/28/1073354328.db2.gz GORBCNMAZFXLTP-QGZVFWFLSA-N 1 0 433.557 -0.072 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 ZINC000448497853 1072820588 /nfs/dbraw/zinc/82/05/88/1072820588.db2.gz XCNQMVPLSHEKTF-UHFFFAOYSA-N 1 0 446.483 0.272 20 0 IBADRO O=C(CN1CCCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1)N1CCCC1 ZINC000448499303 1073319875 /nfs/dbraw/zinc/31/98/75/1073319875.db2.gz OVSDMBPCCPDLSH-UHFFFAOYSA-N 1 0 430.431 0.541 20 0 IBADRO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000448499493 1072820544 /nfs/dbraw/zinc/82/05/44/1072820544.db2.gz RDZANJBXBRDCFT-AWEZNQCLSA-N 1 0 436.538 0.511 20 0 IBADRO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000448499494 1072820513 /nfs/dbraw/zinc/82/05/13/1072820513.db2.gz RDZANJBXBRDCFT-CQSZACIVSA-N 1 0 436.538 0.511 20 0 IBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000448500197 1072820552 /nfs/dbraw/zinc/82/05/52/1072820552.db2.gz CEURVWYFFGQRGL-UHFFFAOYSA-N 1 0 434.541 -0.275 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)n1 ZINC000448500501 1072820675 /nfs/dbraw/zinc/82/06/75/1072820675.db2.gz CZIDCMNPUIKAQQ-UHFFFAOYSA-N 1 0 438.492 0.535 20 0 IBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000448500810 1072820331 /nfs/dbraw/zinc/82/03/31/1072820331.db2.gz HHDOYTZQVPYCKK-UHFFFAOYSA-N 1 0 434.541 -0.275 20 0 IBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)CCO1 ZINC000448502375 1072821169 /nfs/dbraw/zinc/82/11/69/1072821169.db2.gz AIYMHZLKISSINX-KRWDZBQOSA-N 1 0 434.541 -0.135 20 0 IBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)CCO1 ZINC000448502376 1072821137 /nfs/dbraw/zinc/82/11/37/1072821137.db2.gz AIYMHZLKISSINX-QGZVFWFLSA-N 1 0 434.541 -0.135 20 0 IBADRO C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)CCO1 ZINC000448502496 1073314475 /nfs/dbraw/zinc/31/44/75/1073314475.db2.gz BPZPBRZRTRCGTF-KRWDZBQOSA-N 1 0 434.541 -0.135 20 0 IBADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)CCO1 ZINC000448502497 1073304274 /nfs/dbraw/zinc/30/42/74/1073304274.db2.gz BPZPBRZRTRCGTF-QGZVFWFLSA-N 1 0 434.541 -0.135 20 0 IBADRO CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)nc1 ZINC000448504269 1073340773 /nfs/dbraw/zinc/34/07/73/1073340773.db2.gz QCKURNLEDALPCA-UHFFFAOYSA-N 1 0 443.508 0.304 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000448506685 1072821500 /nfs/dbraw/zinc/82/15/00/1072821500.db2.gz XRJQPCFTEHTTTR-UHFFFAOYSA-N 1 0 448.549 0.306 20 0 IBADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448507186 1073308841 /nfs/dbraw/zinc/30/88/41/1073308841.db2.gz FALJCZRZEHOVRD-IBGZPJMESA-N 1 0 428.537 0.443 20 0 IBADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448507187 1073308667 /nfs/dbraw/zinc/30/86/67/1073308667.db2.gz FALJCZRZEHOVRD-LJQANCHMSA-N 1 0 428.537 0.443 20 0 IBADRO CNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cn1 ZINC000448507710 1072821784 /nfs/dbraw/zinc/82/17/84/1072821784.db2.gz KSZBHZVAOYOCAU-UHFFFAOYSA-N 1 0 427.509 -0.369 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)n1 ZINC000448512812 1072820035 /nfs/dbraw/zinc/82/00/35/1072820035.db2.gz NKJYOMNKYFJXRI-UHFFFAOYSA-N 1 0 442.929 0.131 20 0 IBADRO COc1cccc(CC(=O)N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)c1 ZINC000448514166 1073347929 /nfs/dbraw/zinc/34/79/29/1073347929.db2.gz VGANPCRUIBHJNO-UHFFFAOYSA-N 1 0 442.520 0.305 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)n1 ZINC000448516363 1072819765 /nfs/dbraw/zinc/81/97/65/1072819765.db2.gz WDRXNKMITYNMQY-UHFFFAOYSA-N 1 0 430.484 0.436 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448523331 1073200432 /nfs/dbraw/zinc/20/04/32/1073200432.db2.gz YDADBKVVBCRBIU-UHFFFAOYSA-N 1 0 426.543 -0.445 20 0 IBADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccccc1 ZINC000448529127 1072823017 /nfs/dbraw/zinc/82/30/17/1072823017.db2.gz PVTNIAXLAWKNAW-IBGZPJMESA-N 1 0 428.537 0.443 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccccc1 ZINC000448529128 1072822433 /nfs/dbraw/zinc/82/24/33/1072822433.db2.gz PVTNIAXLAWKNAW-LJQANCHMSA-N 1 0 428.537 0.443 20 0 IBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448531857 1072822679 /nfs/dbraw/zinc/82/26/79/1072822679.db2.gz VUWJHUCHIQFMAS-IBGZPJMESA-N 1 0 426.521 0.545 20 0 IBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448531858 1072822755 /nfs/dbraw/zinc/82/27/55/1072822755.db2.gz VUWJHUCHIQFMAS-LJQANCHMSA-N 1 0 426.521 0.545 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)n1 ZINC000448532575 1072822919 /nfs/dbraw/zinc/82/29/19/1072822919.db2.gz NOZDTAAEVRFGAA-UHFFFAOYSA-N 1 0 433.513 0.144 20 0 IBADRO CNC(=O)Cn1cc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000448534527 1072823168 /nfs/dbraw/zinc/82/31/68/1072823168.db2.gz IDFVWKZHUNJGBK-UHFFFAOYSA-N 1 0 427.509 -0.498 20 0 IBADRO Cn1c2ncn(CCC(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)c2c(=O)n(C)c1=O ZINC000460115741 1072981323 /nfs/dbraw/zinc/98/13/23/1072981323.db2.gz XGPZOJCXPKJQLX-UHFFFAOYSA-N 1 0 427.465 -0.377 20 0 IBADRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 ZINC000460233381 1072985754 /nfs/dbraw/zinc/98/57/54/1072985754.db2.gz CMGFSZLVRBMICK-IBGZPJMESA-N 1 0 426.539 -0.286 20 0 IBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 ZINC000460233411 1072985897 /nfs/dbraw/zinc/98/58/97/1072985897.db2.gz 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O=C(Cn1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)n1)N1CCOCC1 ZINC000468444700 1074574115 /nfs/dbraw/zinc/57/41/15/1074574115.db2.gz RKWAWOGBHNXACP-UHFFFAOYSA-N 1 0 440.504 0.025 20 0 IBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)n1)N1CCOCC1 ZINC000468444932 1074574468 /nfs/dbraw/zinc/57/44/68/1074574468.db2.gz RYWNMXTXJQNZTG-UHFFFAOYSA-N 1 0 446.552 0.405 20 0 IBADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 ZINC000468446930 1074574384 /nfs/dbraw/zinc/57/43/84/1074574384.db2.gz FJYCNMKOPKYQLV-UHFFFAOYSA-N 1 0 428.493 0.058 20 0 IBADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468446940 1073307300 /nfs/dbraw/zinc/30/73/00/1073307300.db2.gz FNPZSQPJANZFSL-UHFFFAOYSA-N 1 0 442.520 0.271 20 0 IBADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468447036 1073307133 /nfs/dbraw/zinc/30/71/33/1073307133.db2.gz FVPWMPGNROUVHJ-CALCHBBNSA-N 1 0 448.568 0.553 20 0 IBADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468447037 1073305797 /nfs/dbraw/zinc/30/57/97/1073305797.db2.gz FVPWMPGNROUVHJ-IAGOWNOFSA-N 1 0 448.568 0.553 20 0 IBADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468447038 1073315410 /nfs/dbraw/zinc/31/54/10/1073315410.db2.gz FVPWMPGNROUVHJ-IRXDYDNUSA-N 1 0 448.568 0.553 20 0 IBADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468453122 1074574949 /nfs/dbraw/zinc/57/49/49/1074574949.db2.gz XOENZCILEJUDFM-INIZCTEOSA-N 1 0 434.541 0.307 20 0 IBADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468453123 1074574994 /nfs/dbraw/zinc/57/49/94/1074574994.db2.gz XOENZCILEJUDFM-MRXNPFEDSA-N 1 0 434.541 0.307 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1cccs1 ZINC000468455592 1074574861 /nfs/dbraw/zinc/57/48/61/1074574861.db2.gz KRLRRMGSWSTCLP-AWEZNQCLSA-N 1 0 434.522 0.161 20 0 IBADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1cccs1 ZINC000468455593 1073309588 /nfs/dbraw/zinc/30/95/88/1073309588.db2.gz KRLRRMGSWSTCLP-CQSZACIVSA-N 1 0 434.522 0.161 20 0 IBADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468455621 1074574973 /nfs/dbraw/zinc/57/49/73/1074574973.db2.gz KXOPOINBGDNPOR-BBWFWOEESA-N 1 0 434.541 0.163 20 0 IBADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468455622 1073309799 /nfs/dbraw/zinc/30/97/99/1073309799.db2.gz KXOPOINBGDNPOR-BRWVUGGUSA-N 1 0 434.541 0.163 20 0 IBADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468455623 1073310351 /nfs/dbraw/zinc/31/03/51/1073310351.db2.gz KXOPOINBGDNPOR-IXDOHACOSA-N 1 0 434.541 0.163 20 0 IBADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468455624 1074575059 /nfs/dbraw/zinc/57/50/59/1074575059.db2.gz KXOPOINBGDNPOR-ZACQAIPSSA-N 1 0 434.541 0.163 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 ZINC000468458513 1074575355 /nfs/dbraw/zinc/57/53/55/1074575355.db2.gz FNMSMHTYNNWQTO-KRWDZBQOSA-N 1 0 428.493 0.100 20 0 IBADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 ZINC000468458515 1074575434 /nfs/dbraw/zinc/57/54/34/1074575434.db2.gz FNMSMHTYNNWQTO-QGZVFWFLSA-N 1 0 428.493 0.100 20 0 IBADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCCCC1 ZINC000468460407 1073306778 /nfs/dbraw/zinc/30/67/78/1073306778.db2.gz UVAHEKVXTHQFMT-UHFFFAOYSA-N 1 0 434.541 0.451 20 0 IBADRO O=C(Cn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1)N1CCOCC1 ZINC000468463713 1074575936 /nfs/dbraw/zinc/57/59/36/1074575936.db2.gz ZYJVANXQXHNWLS-GOSISDBHSA-N 1 0 440.504 0.071 20 0 IBADRO O=C(Cn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1)N1CCOCC1 ZINC000468463714 1074575880 /nfs/dbraw/zinc/57/58/80/1074575880.db2.gz ZYJVANXQXHNWLS-SFHVURJKSA-N 1 0 440.504 0.071 20 0 IBADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468464797 1073308740 /nfs/dbraw/zinc/30/87/40/1073308740.db2.gz CTXVRYCYEVLTCL-GOSISDBHSA-N 1 0 442.520 -0.031 20 0 IBADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468464798 1074576060 /nfs/dbraw/zinc/57/60/60/1074576060.db2.gz CTXVRYCYEVLTCL-SFHVURJKSA-N 1 0 442.520 -0.031 20 0 IBADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000468466341 1074576121 /nfs/dbraw/zinc/57/61/21/1074576121.db2.gz HXQOVZATQKIYEE-GOSISDBHSA-N 1 0 448.568 0.553 20 0 IBADRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000468466342 1074575958 /nfs/dbraw/zinc/57/59/58/1074575958.db2.gz HXQOVZATQKIYEE-SFHVURJKSA-N 1 0 448.568 0.553 20 0 IBADRO C[N@H+](CCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)Cc1ccccc1 ZINC000468467553 1074575863 /nfs/dbraw/zinc/57/58/63/1074575863.db2.gz NYWKFRMEWFYQJQ-UHFFFAOYSA-N 1 0 442.520 0.319 20 0 IBADRO C[N@H+](CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)Cc1ccccc1 ZINC000468467626 1073310182 /nfs/dbraw/zinc/31/01/82/1073310182.db2.gz NJWFRXZRSIIUFS-UHFFFAOYSA-N 1 0 428.493 -0.071 20 0 IBADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[NH+](C)C)cc1 ZINC000468469242 1073342223 /nfs/dbraw/zinc/34/22/23/1073342223.db2.gz UYQZYVMWRXVQHU-GOSISDBHSA-N 1 0 442.520 0.408 20 0 IBADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[NH+](C)C)cc1 ZINC000468469243 1073342430 /nfs/dbraw/zinc/34/24/30/1073342430.db2.gz UYQZYVMWRXVQHU-SFHVURJKSA-N 1 0 442.520 0.408 20 0 IBADRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)([NH+](C)C)C1 ZINC000468469537 1073312698 /nfs/dbraw/zinc/31/26/98/1073312698.db2.gz WSRHIGWTWKLKFW-HRAATJIYSA-N 1 0 434.541 0.307 20 0 IBADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)([NH+](C)C)C1 ZINC000468469538 1074576434 /nfs/dbraw/zinc/57/64/34/1074576434.db2.gz WSRHIGWTWKLKFW-IERDGZPVSA-N 1 0 434.541 0.307 20 0 IBADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)([NH+](C)C)C1 ZINC000468469539 1073354936 /nfs/dbraw/zinc/35/49/36/1073354936.db2.gz WSRHIGWTWKLKFW-IIBYNOLFSA-N 1 0 434.541 0.307 20 0 IBADRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)([NH+](C)C)C1 ZINC000468469540 1074576050 /nfs/dbraw/zinc/57/60/50/1074576050.db2.gz WSRHIGWTWKLKFW-KKSFZXQISA-N 1 0 434.541 0.307 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccc(F)cc1 ZINC000468469919 1074576359 /nfs/dbraw/zinc/57/63/59/1074576359.db2.gz YIXWFUHXWWFWFO-KRWDZBQOSA-N 1 0 446.483 0.239 20 0 IBADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccc(F)cc1 ZINC000468469920 1074576441 /nfs/dbraw/zinc/57/64/41/1074576441.db2.gz YIXWFUHXWWFWFO-QGZVFWFLSA-N 1 0 446.483 0.239 20 0 IBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC000468484631 1074577029 /nfs/dbraw/zinc/57/70/29/1074577029.db2.gz SBKAHGOWTOAMNT-GOSISDBHSA-N 1 0 442.520 -0.231 20 0 IBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 ZINC000468484632 1074576859 /nfs/dbraw/zinc/57/68/59/1074576859.db2.gz SBKAHGOWTOAMNT-SFHVURJKSA-N 1 0 442.520 -0.231 20 0 IBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC000468486822 1074577019 /nfs/dbraw/zinc/57/70/19/1074577019.db2.gz IPKSPXPBMOGYMP-INIZCTEOSA-N 1 0 429.477 -0.851 20 0 IBADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC000468486823 1074576928 /nfs/dbraw/zinc/57/69/28/1074576928.db2.gz IPKSPXPBMOGYMP-MRXNPFEDSA-N 1 0 429.477 -0.851 20 0 IBADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000468606527 1074580405 /nfs/dbraw/zinc/58/04/05/1074580405.db2.gz HCOUCINNECRJAZ-UHFFFAOYSA-N 1 0 430.571 -0.257 20 0 IBADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468610806 1074580429 /nfs/dbraw/zinc/58/04/29/1074580429.db2.gz LFOJNDMUVMYAGV-UHFFFAOYSA-N 1 0 432.481 -0.136 20 0 IBADRO COCCNc1nc(N[C@H]2CC(=O)N(C(C)C)C2)nc(N[C@H]2CC(=O)N(C(C)C)C2)[nH+]1 ZINC000468640275 1074582175 /nfs/dbraw/zinc/58/21/75/1074582175.db2.gz WMVOASAUTTYWCW-GJZGRUSLSA-N 1 0 434.545 -0.962 20 0 IBADRO COCCNc1nc(N[C@@H]2CC(=O)N(C(C)C)C2)nc(N[C@@H]2CC(=O)N(C(C)C)C2)[nH+]1 ZINC000468640277 1074582131 /nfs/dbraw/zinc/58/21/31/1074582131.db2.gz WMVOASAUTTYWCW-HUUCEWRRSA-N 1 0 434.545 -0.962 20 0 IBADRO O=C(c1ccc(NCCN2CCN(c3ncccn3)CC2)nc1)N1CCS(=O)(=O)CC1 ZINC000468714285 1073338943 /nfs/dbraw/zinc/33/89/43/1073338943.db2.gz MAIRERBBHNQFLH-UHFFFAOYSA-N 1 0 445.549 -0.024 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468715347 1074586433 /nfs/dbraw/zinc/58/64/33/1074586433.db2.gz PWRMJTSSTUFQIV-UHFFFAOYSA-N 1 0 435.550 -0.303 20 0 IBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000468716761 1074586522 /nfs/dbraw/zinc/58/65/22/1074586522.db2.gz QCKTZIDYEIQNSC-UHFFFAOYSA-N 1 0 436.494 -0.079 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468717874 1074586979 /nfs/dbraw/zinc/58/69/79/1074586979.db2.gz VFZXDNPAUNWULX-KRWDZBQOSA-N 1 0 435.550 -0.305 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468717875 1074586919 /nfs/dbraw/zinc/58/69/19/1074586919.db2.gz VFZXDNPAUNWULX-QGZVFWFLSA-N 1 0 435.550 -0.305 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468725347 1074587654 /nfs/dbraw/zinc/58/76/54/1074587654.db2.gz QIROKVLKAQJYQP-UHFFFAOYSA-N 1 0 437.566 -0.057 20 0 IBADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000468741646 1074588048 /nfs/dbraw/zinc/58/80/48/1074588048.db2.gz BMIANNHFIDPCOA-UHFFFAOYSA-N 1 0 436.494 -0.880 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000468746157 1074588564 /nfs/dbraw/zinc/58/85/64/1074588564.db2.gz XGZPPBLFAXTABP-UHFFFAOYSA-N 1 0 440.570 -0.716 20 0 IBADRO 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C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000468763327 1074588945 /nfs/dbraw/zinc/58/89/45/1074588945.db2.gz APRRAIDTJCKEPG-HUUCEWRRSA-N 1 0 440.570 -0.591 20 0 IBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000468798834 1074590160 /nfs/dbraw/zinc/59/01/60/1074590160.db2.gz CACRHNQFTLPJOE-MSOLQXFVSA-N 1 0 442.520 -0.008 20 0 IBADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000468798971 1074590056 /nfs/dbraw/zinc/59/00/56/1074590056.db2.gz CACRHNQFTLPJOE-QZTJIDSGSA-N 1 0 442.520 -0.008 20 0 IBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000468799028 1074590126 /nfs/dbraw/zinc/59/01/26/1074590126.db2.gz CACRHNQFTLPJOE-ROUUACIJSA-N 1 0 442.520 -0.008 20 0 IBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000468799118 1074589996 /nfs/dbraw/zinc/58/99/96/1074589996.db2.gz CACRHNQFTLPJOE-ZWKOTPCHSA-N 1 0 442.520 -0.008 20 0 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CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 ZINC000468844852 1074591689 /nfs/dbraw/zinc/59/16/89/1074591689.db2.gz GUWYQKNIXPDLHU-UHFFFAOYSA-N 1 0 429.543 -0.434 20 0 IBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000468848306 1074591797 /nfs/dbraw/zinc/59/17/97/1074591797.db2.gz GEYOWLUHILCGJN-UHFFFAOYSA-N 1 0 427.527 -0.680 20 0 IBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)CC1=O ZINC000468860193 1074592062 /nfs/dbraw/zinc/59/20/62/1074592062.db2.gz GMAREPBTVQLWHK-KRWDZBQOSA-N 1 0 426.525 -0.283 20 0 IBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)CC1=O ZINC000468860392 1074592271 /nfs/dbraw/zinc/59/22/71/1074592271.db2.gz GMAREPBTVQLWHK-QGZVFWFLSA-N 1 0 426.525 -0.283 20 0 IBADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 ZINC000468867136 1074592137 /nfs/dbraw/zinc/59/21/37/1074592137.db2.gz GJFHSGCSMWEEIB-UHFFFAOYSA-N 1 0 426.525 -0.135 20 0 IBADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1=O ZINC000468868928 1074592560 /nfs/dbraw/zinc/59/25/60/1074592560.db2.gz HFXGXRSYPSIGAG-MSOLQXFVSA-N 1 0 445.568 -0.192 20 0 IBADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1=O ZINC000468869221 1074592701 /nfs/dbraw/zinc/59/27/01/1074592701.db2.gz HFXGXRSYPSIGAG-QZTJIDSGSA-N 1 0 445.568 -0.192 20 0 IBADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1=O ZINC000468869440 1074592635 /nfs/dbraw/zinc/59/26/35/1074592635.db2.gz HFXGXRSYPSIGAG-ROUUACIJSA-N 1 0 445.568 -0.192 20 0 IBADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1=O ZINC000468869671 1074592655 /nfs/dbraw/zinc/59/26/55/1074592655.db2.gz HFXGXRSYPSIGAG-ZWKOTPCHSA-N 1 0 445.568 -0.192 20 0 IBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000468877264 1074592615 /nfs/dbraw/zinc/59/26/15/1074592615.db2.gz FQLPRVOXTRHOJN-AWEZNQCLSA-N 1 0 445.567 -0.882 20 0 IBADRO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000468877430 1074592588 /nfs/dbraw/zinc/59/25/88/1074592588.db2.gz FQLPRVOXTRHOJN-CQSZACIVSA-N 1 0 445.567 -0.882 20 0 IBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000468881147 1074593087 /nfs/dbraw/zinc/59/30/87/1074593087.db2.gz ISKVJPSWQGPVGZ-KBPBESRZSA-N 1 0 439.538 -0.552 20 0 IBADRO C[N@H+](CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000468881448 1074592987 /nfs/dbraw/zinc/59/29/87/1074592987.db2.gz GOBGXMUKWKFWNW-UHFFFAOYSA-N 1 0 446.483 0.068 20 0 IBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000468881499 1074593039 /nfs/dbraw/zinc/59/30/39/1074593039.db2.gz ISKVJPSWQGPVGZ-KGLIPLIRSA-N 1 0 439.538 -0.552 20 0 IBADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000468881767 1074593063 /nfs/dbraw/zinc/59/30/63/1074593063.db2.gz ISKVJPSWQGPVGZ-UONOGXRCSA-N 1 0 439.538 -0.552 20 0 IBADRO 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C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000468925822 1074594195 /nfs/dbraw/zinc/59/41/95/1074594195.db2.gz IQGCIZRQIAYNIK-FQEVSTJZSA-N 1 0 444.580 -0.015 20 0 IBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000468926147 1074594215 /nfs/dbraw/zinc/59/42/15/1074594215.db2.gz IQGCIZRQIAYNIK-HXUWFJFHSA-N 1 0 444.580 -0.015 20 0 IBADRO CC[NH+](CC)CCN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@H]1CCS(=O)(=O)C1 ZINC000468934675 1074594817 /nfs/dbraw/zinc/59/48/17/1074594817.db2.gz KSMFUBNYNZKKPY-KRWDZBQOSA-N 1 0 437.566 -0.011 20 0 IBADRO CC[NH+](CC)CCN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000468934924 1074594689 /nfs/dbraw/zinc/59/46/89/1074594689.db2.gz KSMFUBNYNZKKPY-QGZVFWFLSA-N 1 0 437.566 -0.011 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000468945629 1074594740 /nfs/dbraw/zinc/59/47/40/1074594740.db2.gz KUFSUQZPVFERLN-UHFFFAOYSA-N 1 0 432.587 -0.219 20 0 IBADRO 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C[NH+](C)CCOc1cc(CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)ccn1 ZINC000476980178 1073073984 /nfs/dbraw/zinc/07/39/84/1073073984.db2.gz LSFBTBZHMCJUTN-UHFFFAOYSA-N 1 0 449.489 -0.106 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)C2)CC1 ZINC000476989314 1073074724 /nfs/dbraw/zinc/07/47/24/1073074724.db2.gz MCDQEAJMFFYZBP-MSOLQXFVSA-N 1 0 431.603 -0.104 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)CC1 ZINC000476989319 1073074608 /nfs/dbraw/zinc/07/46/08/1073074608.db2.gz MCDQEAJMFFYZBP-QZTJIDSGSA-N 1 0 431.603 -0.104 20 0 IBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)C2)CC1 ZINC000476989320 1073074761 /nfs/dbraw/zinc/07/47/61/1073074761.db2.gz MCDQEAJMFFYZBP-ROUUACIJSA-N 1 0 431.603 -0.104 20 0 IBADRO CC[NH+]1CCN([C@H]2CCN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)CC1 ZINC000476989322 1073074791 /nfs/dbraw/zinc/07/47/91/1073074791.db2.gz MCDQEAJMFFYZBP-ZWKOTPCHSA-N 1 0 431.603 -0.104 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000476994266 1073075105 /nfs/dbraw/zinc/07/51/05/1073075105.db2.gz XOOSAFQRCOOHPE-KRWDZBQOSA-N 1 0 445.586 -0.576 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000476994267 1073075166 /nfs/dbraw/zinc/07/51/66/1073075166.db2.gz XOOSAFQRCOOHPE-QGZVFWFLSA-N 1 0 445.586 -0.576 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000476996284 1073075151 /nfs/dbraw/zinc/07/51/51/1073075151.db2.gz AHAHNFSSPDKIGH-UHFFFAOYSA-N 1 0 444.579 -0.465 20 0 IBADRO Cc1ccc(-n2nccc2NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000476999136 1073075610 /nfs/dbraw/zinc/07/56/10/1073075610.db2.gz GNIXUAGKVMOGCU-HNNXBMFYSA-N 1 0 428.497 -0.032 20 0 IBADRO Cc1ccc(-n2nccc2NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000476999141 1073075380 /nfs/dbraw/zinc/07/53/80/1073075380.db2.gz GNIXUAGKVMOGCU-OAHLLOKOSA-N 1 0 428.497 -0.032 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000477003717 1073076735 /nfs/dbraw/zinc/07/67/35/1073076735.db2.gz QPLVRHXVGKIVPJ-UHFFFAOYSA-N 1 0 446.595 -0.219 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000477008225 1073075748 /nfs/dbraw/zinc/07/57/48/1073075748.db2.gz WCMPNWLYUVTJFE-UHFFFAOYSA-N 1 0 427.548 -0.055 20 0 IBADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000477011960 1073076299 /nfs/dbraw/zinc/07/62/99/1073076299.db2.gz NGMSNEFSQODWHU-HNNXBMFYSA-N 1 0 432.568 -0.528 20 0 IBADRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000477011961 1073076095 /nfs/dbraw/zinc/07/60/95/1073076095.db2.gz NGMSNEFSQODWHU-OAHLLOKOSA-N 1 0 432.568 -0.528 20 0 IBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000477024168 1073323236 /nfs/dbraw/zinc/32/32/36/1073323236.db2.gz AFXBWSZTPJQNLW-KRWDZBQOSA-N 1 0 433.557 -0.192 20 0 IBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000477024175 1073323078 /nfs/dbraw/zinc/32/30/78/1073323078.db2.gz AFXBWSZTPJQNLW-QGZVFWFLSA-N 1 0 433.557 -0.192 20 0 IBADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000477027519 1073078243 /nfs/dbraw/zinc/07/82/43/1073078243.db2.gz YNRACRDNJHCAPX-UHFFFAOYSA-N 1 0 446.595 -0.316 20 0 IBADRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)ccn1 ZINC000477031406 1073078796 /nfs/dbraw/zinc/07/87/96/1073078796.db2.gz XNZPCICTLYVWHE-UHFFFAOYSA-N 1 0 425.467 -0.691 20 0 IBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477032430 1073325140 /nfs/dbraw/zinc/32/51/40/1073325140.db2.gz JXVDRWIENPQTBK-GVDBMIGSSA-N 1 0 447.602 -0.669 20 0 IBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000477032437 1073325030 /nfs/dbraw/zinc/32/50/30/1073325030.db2.gz JXVDRWIENPQTBK-ULQDDVLXSA-N 1 0 447.602 -0.669 20 0 IBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477032442 1073325009 /nfs/dbraw/zinc/32/50/09/1073325009.db2.gz JXVDRWIENPQTBK-YESZJQIVSA-N 1 0 447.602 -0.669 20 0 IBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477032446 1073325094 /nfs/dbraw/zinc/32/50/94/1073325094.db2.gz JXVDRWIENPQTBK-ZACQAIPSSA-N 1 0 447.602 -0.669 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000477043218 1073079320 /nfs/dbraw/zinc/07/93/20/1073079320.db2.gz BGMGWXALOUUOFR-KRWDZBQOSA-N 1 0 447.602 -0.330 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000477043225 1073079407 /nfs/dbraw/zinc/07/94/07/1073079407.db2.gz BGMGWXALOUUOFR-QGZVFWFLSA-N 1 0 447.602 -0.330 20 0 IBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477083466 1073081015 /nfs/dbraw/zinc/08/10/15/1073081015.db2.gz CABQKSDTDLHSKU-FGTMMUONSA-N 1 0 447.602 -0.222 20 0 IBADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477083474 1073080929 /nfs/dbraw/zinc/08/09/29/1073080929.db2.gz CABQKSDTDLHSKU-KSZLIROESA-N 1 0 447.602 -0.222 20 0 IBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477083482 1073080948 /nfs/dbraw/zinc/08/09/48/1073080948.db2.gz CABQKSDTDLHSKU-KZNAEPCWSA-N 1 0 447.602 -0.222 20 0 IBADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000477083488 1073080892 /nfs/dbraw/zinc/08/08/92/1073080892.db2.gz CABQKSDTDLHSKU-OKZBNKHCSA-N 1 0 447.602 -0.222 20 0 IBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000477101223 1073327799 /nfs/dbraw/zinc/32/77/99/1073327799.db2.gz PWJCKSFDBWMPHC-CYBMUJFWSA-N 1 0 443.526 -0.942 20 0 IBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000477101226 1073327691 /nfs/dbraw/zinc/32/76/91/1073327691.db2.gz PWJCKSFDBWMPHC-ZDUSSCGKSA-N 1 0 443.526 -0.942 20 0 IBADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000477101715 1073327767 /nfs/dbraw/zinc/32/77/67/1073327767.db2.gz QYSMISRRFWWVIK-AWEZNQCLSA-N 1 0 428.559 -0.592 20 0 IBADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000477101716 1073327840 /nfs/dbraw/zinc/32/78/40/1073327840.db2.gz QYSMISRRFWWVIK-CQSZACIVSA-N 1 0 428.559 -0.592 20 0 IBADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n(-c2ccc(C)nn2)n1 ZINC000477146401 1073082689 /nfs/dbraw/zinc/08/26/89/1073082689.db2.gz DANBQLOMGLAIRI-INIZCTEOSA-N 1 0 440.508 -0.017 20 0 IBADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n(-c2ccc(C)nn2)n1 ZINC000477146422 1073082594 /nfs/dbraw/zinc/08/25/94/1073082594.db2.gz DANBQLOMGLAIRI-MRXNPFEDSA-N 1 0 440.508 -0.017 20 0 IBADRO Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC000477153052 1073082992 /nfs/dbraw/zinc/08/29/92/1073082992.db2.gz SSOWADWSGOMBAM-HNNXBMFYSA-N 1 0 426.481 -0.326 20 0 IBADRO 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CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000490492525 1073651435 /nfs/dbraw/zinc/65/14/35/1073651435.db2.gz NBRBKRTYWSQROZ-UHFFFAOYSA-N 1 0 433.513 -0.887 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cn1 ZINC000490493142 1073651506 /nfs/dbraw/zinc/65/15/06/1073651506.db2.gz UCDQJVYKJPMOFY-GOSISDBHSA-N 1 0 441.492 -0.801 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cn1 ZINC000490493143 1073651502 /nfs/dbraw/zinc/65/15/02/1073651502.db2.gz UCDQJVYKJPMOFY-SFHVURJKSA-N 1 0 441.492 -0.801 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCn2c(=O)oc3ccccc32)cn1 ZINC000490493154 1073651384 /nfs/dbraw/zinc/65/13/84/1073651384.db2.gz UDYFBUAVXUBQQS-UHFFFAOYSA-N 1 0 443.464 -0.776 20 0 IBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)c1 ZINC000490503668 1073652146 /nfs/dbraw/zinc/65/21/46/1073652146.db2.gz UAFHIPDYPFIVIU-UHFFFAOYSA-N 1 0 427.465 -0.147 20 0 IBADRO O=C(Cn1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1)NC1CC1 ZINC000490508246 1073652735 /nfs/dbraw/zinc/65/27/35/1073652735.db2.gz BTHDHDDLGKSRSK-JOCHJYFZSA-N 1 0 440.504 -0.147 20 0 IBADRO O=C(Cn1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1)NC1CC1 ZINC000490508247 1073652831 /nfs/dbraw/zinc/65/28/31/1073652831.db2.gz BTHDHDDLGKSRSK-QFIPXVFZSA-N 1 0 440.504 -0.147 20 0 IBADRO CN1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)Cc2ccccc21 ZINC000490519000 1073652724 /nfs/dbraw/zinc/65/27/24/1073652724.db2.gz FBOMVDKEQKQJSY-UHFFFAOYSA-N 1 0 427.509 -0.022 20 0 IBADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000490519312 1073652855 /nfs/dbraw/zinc/65/28/55/1073652855.db2.gz FQMXKWXLHJCNKT-UHFFFAOYSA-N 1 0 429.518 -0.232 20 0 IBADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000490575594 1073654133 /nfs/dbraw/zinc/65/41/33/1073654133.db2.gz AANTXJODJGGUJN-HNNXBMFYSA-N 1 0 437.522 -0.702 20 0 IBADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000490575595 1073654158 /nfs/dbraw/zinc/65/41/58/1073654158.db2.gz AANTXJODJGGUJN-OAHLLOKOSA-N 1 0 437.522 -0.702 20 0 IBADRO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000490581475 1073654922 /nfs/dbraw/zinc/65/49/22/1073654922.db2.gz DAQIWQROSUOWBM-UHFFFAOYSA-N 1 0 436.534 -0.066 20 0 IBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(=O)n(C)c1=O ZINC000490645325 1073656829 /nfs/dbraw/zinc/65/68/29/1073656829.db2.gz BRXLMXPICMFHSR-DLBZAZTESA-N 1 0 434.585 -0.074 20 0 IBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(=O)n(C)c1=O ZINC000490645332 1073656797 /nfs/dbraw/zinc/65/67/97/1073656797.db2.gz BRXLMXPICMFHSR-IAGOWNOFSA-N 1 0 434.585 -0.074 20 0 IBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(=O)n(C)c1=O ZINC000490645338 1073656771 /nfs/dbraw/zinc/65/67/71/1073656771.db2.gz BRXLMXPICMFHSR-IRXDYDNUSA-N 1 0 434.585 -0.074 20 0 IBADRO CC(C)Cn1c(N)c(C(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(=O)n(C)c1=O ZINC000490645342 1073656868 /nfs/dbraw/zinc/65/68/68/1073656868.db2.gz BRXLMXPICMFHSR-SJORKVTESA-N 1 0 434.585 -0.074 20 0 IBADRO COc1cc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)ccc1S(=O)(=O)N1CCCC1 ZINC000490751152 1073660241 /nfs/dbraw/zinc/66/02/41/1073660241.db2.gz LYEAUDKXJHZDIE-AWEZNQCLSA-N 1 0 428.511 -0.543 20 0 IBADRO COc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)ccc1S(=O)(=O)N1CCCC1 ZINC000490751153 1073660119 /nfs/dbraw/zinc/66/01/19/1073660119.db2.gz LYEAUDKXJHZDIE-CQSZACIVSA-N 1 0 428.511 -0.543 20 0 IBADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC000490752914 1073660182 /nfs/dbraw/zinc/66/01/82/1073660182.db2.gz UOEWNTVAPMBJBT-UHFFFAOYSA-N 1 0 429.518 -0.232 20 0 IBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000490879181 1073665411 /nfs/dbraw/zinc/66/54/11/1073665411.db2.gz URSVDLOPBPMRET-UHFFFAOYSA-N 1 0 425.555 -0.016 20 0 IBADRO COCCN(C(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490971325 1073667965 /nfs/dbraw/zinc/66/79/65/1073667965.db2.gz WEXALRJZZQHGLN-FHWLQOOXSA-N 1 0 430.615 -0.394 20 0 IBADRO COCCN(C(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000490971334 1073667396 /nfs/dbraw/zinc/66/73/96/1073667396.db2.gz WEXALRJZZQHGLN-OTWHNJEPSA-N 1 0 430.615 -0.394 20 0 IBADRO COCCN(C(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000490971335 1073667375 /nfs/dbraw/zinc/66/73/75/1073667375.db2.gz WEXALRJZZQHGLN-QRVBRYPASA-N 1 0 430.615 -0.394 20 0 IBADRO COCCN(C(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490971336 1073667285 /nfs/dbraw/zinc/66/72/85/1073667285.db2.gz WEXALRJZZQHGLN-QYZOEREBSA-N 1 0 430.615 -0.394 20 0 IBADRO C[C@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490992385 1073667864 /nfs/dbraw/zinc/66/78/64/1073667864.db2.gz BYBDHKXUVXGCMA-FXAWDEMLSA-N 1 0 437.610 -0.050 20 0 IBADRO C[C@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490992386 1073667989 /nfs/dbraw/zinc/66/79/89/1073667989.db2.gz BYBDHKXUVXGCMA-PXNSSMCTSA-N 1 0 437.610 -0.050 20 0 IBADRO C[C@@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490992387 1073668020 /nfs/dbraw/zinc/66/80/20/1073668020.db2.gz BYBDHKXUVXGCMA-XLIONFOSSA-N 1 0 437.610 -0.050 20 0 IBADRO C[C@@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490992388 1073667977 /nfs/dbraw/zinc/66/79/77/1073667977.db2.gz BYBDHKXUVXGCMA-YLJYHZDGSA-N 1 0 437.610 -0.050 20 0 IBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)ccc2oc1=O ZINC000491165201 1073673930 /nfs/dbraw/zinc/67/39/30/1073673930.db2.gz DOAPYPNGFOZTQH-UHFFFAOYSA-N 1 0 439.494 -0.754 20 0 IBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000491214088 1072396200 /nfs/dbraw/zinc/39/62/00/1072396200.db2.gz SMRXDIRCFPONEC-UHFFFAOYSA-N 1 0 425.555 -0.016 20 0 IBADRO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000491297814 1072514414 /nfs/dbraw/zinc/51/44/14/1072514414.db2.gz VGBIVRBCULWJCZ-DLBZAZTESA-N 1 0 434.493 -0.169 20 0 IBADRO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000491297815 1072514470 /nfs/dbraw/zinc/51/44/70/1072514470.db2.gz VGBIVRBCULWJCZ-IAGOWNOFSA-N 1 0 434.493 -0.169 20 0 IBADRO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000491297816 1072514378 /nfs/dbraw/zinc/51/43/78/1072514378.db2.gz VGBIVRBCULWJCZ-IRXDYDNUSA-N 1 0 434.493 -0.169 20 0 IBADRO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000491297817 1072515031 /nfs/dbraw/zinc/51/50/31/1072515031.db2.gz VGBIVRBCULWJCZ-SJORKVTESA-N 1 0 434.493 -0.169 20 0 IBADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000491300437 1072514940 /nfs/dbraw/zinc/51/49/40/1072514940.db2.gz YIFJJNVGCGWPNT-UHFFFAOYSA-N 1 0 430.502 -0.165 20 0 IBADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)n2)CC1 ZINC000491331856 1072562792 /nfs/dbraw/zinc/56/27/92/1072562792.db2.gz FHYUYVIMOJHHGC-UHFFFAOYSA-N 1 0 431.497 -0.025 20 0 IBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000491346724 1072580661 /nfs/dbraw/zinc/58/06/61/1072580661.db2.gz NXMGUJZBMVVYQC-AWEZNQCLSA-N 1 0 439.538 -0.455 20 0 IBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000491346725 1072581481 /nfs/dbraw/zinc/58/14/81/1072581481.db2.gz NXMGUJZBMVVYQC-CQSZACIVSA-N 1 0 439.538 -0.455 20 0 IBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000491358029 1073369634 /nfs/dbraw/zinc/36/96/34/1073369634.db2.gz FCORZMREVOIPNP-UHFFFAOYSA-N 1 0 427.590 -0.051 20 0 IBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000491358756 1072581471 /nfs/dbraw/zinc/58/14/71/1072581471.db2.gz HHAOLSMFCPZNTI-UHFFFAOYSA-N 1 0 442.538 -0.223 20 0 IBADRO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000491359728 1072581382 /nfs/dbraw/zinc/58/13/82/1072581382.db2.gz MDGXPPDQYGJSKV-INIZCTEOSA-N 1 0 439.538 -0.231 20 0 IBADRO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000491359731 1072581171 /nfs/dbraw/zinc/58/11/71/1072581171.db2.gz MDGXPPDQYGJSKV-MRXNPFEDSA-N 1 0 439.538 -0.231 20 0 IBADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000491362888 1072581432 /nfs/dbraw/zinc/58/14/32/1072581432.db2.gz TYXINOJRAYDEPM-HNNXBMFYSA-N 1 0 443.501 -0.530 20 0 IBADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000491362893 1072581129 /nfs/dbraw/zinc/58/11/29/1072581129.db2.gz TYXINOJRAYDEPM-OAHLLOKOSA-N 1 0 443.501 -0.530 20 0 IBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000491363935 1072581325 /nfs/dbraw/zinc/58/13/25/1072581325.db2.gz ZNEJPZSWVKBHRN-HNNXBMFYSA-N 1 0 425.511 -0.702 20 0 IBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000491363936 1072581297 /nfs/dbraw/zinc/58/12/97/1072581297.db2.gz ZNEJPZSWVKBHRN-OAHLLOKOSA-N 1 0 425.511 -0.702 20 0 IBADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000491377127 1072581822 /nfs/dbraw/zinc/58/18/22/1072581822.db2.gz USGKMVAKQSUMGR-HNNXBMFYSA-N 1 0 425.511 -0.157 20 0 IBADRO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000491377128 1072581961 /nfs/dbraw/zinc/58/19/61/1072581961.db2.gz USGKMVAKQSUMGR-OAHLLOKOSA-N 1 0 425.511 -0.157 20 0 IBADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)n2)CC1 ZINC000491377379 1072582015 /nfs/dbraw/zinc/58/20/15/1072582015.db2.gz XHWZENSFKXMKGA-UHFFFAOYSA-N 1 0 441.558 -0.124 20 0 IBADRO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000491389185 1072581349 /nfs/dbraw/zinc/58/13/49/1072581349.db2.gz MPYUHNAKWHNSLG-UHFFFAOYSA-N 1 0 430.502 -0.023 20 0 IBADRO Cn1ccnc1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000491401212 1072582302 /nfs/dbraw/zinc/58/23/02/1072582302.db2.gz ORBJAEZWEXKGHF-INIZCTEOSA-N 1 0 444.540 -0.286 20 0 IBADRO Cn1ccnc1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000491401213 1072582325 /nfs/dbraw/zinc/58/23/25/1072582325.db2.gz ORBJAEZWEXKGHF-MRXNPFEDSA-N 1 0 444.540 -0.286 20 0 IBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000491414783 1072583105 /nfs/dbraw/zinc/58/31/05/1072583105.db2.gz PIFJHXSBTMNSAA-AWEZNQCLSA-N 1 0 425.555 -0.159 20 0 IBADRO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000491414785 1072583158 /nfs/dbraw/zinc/58/31/58/1072583158.db2.gz PIFJHXSBTMNSAA-CQSZACIVSA-N 1 0 425.555 -0.159 20 0 IBADRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)n2)CC1 ZINC000491444869 1072583148 /nfs/dbraw/zinc/58/31/48/1072583148.db2.gz HLAPXSXGSGGVGH-UHFFFAOYSA-N 1 0 433.513 -0.315 20 0 IBADRO Cc1nnc([C@H]2CCCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)C2)[nH]1 ZINC000491449181 1072583716 /nfs/dbraw/zinc/58/37/16/1072583716.db2.gz WMGTUNSUDDPOLM-AWEZNQCLSA-N 1 0 431.501 -0.668 20 0 IBADRO Cc1nnc([C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)C2)[nH]1 ZINC000491449182 1072583590 /nfs/dbraw/zinc/58/35/90/1072583590.db2.gz WMGTUNSUDDPOLM-CQSZACIVSA-N 1 0 431.501 -0.668 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cccs3)CC2)cn1 ZINC000491450084 1072583777 /nfs/dbraw/zinc/58/37/77/1072583777.db2.gz ZHGNKQMBNSIXLJ-UHFFFAOYSA-N 1 0 433.538 -0.090 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000491459735 1072584088 /nfs/dbraw/zinc/58/40/88/1072584088.db2.gz SPHHVAWLQDPNFS-UHFFFAOYSA-N 1 0 433.509 -0.108 20 0 IBADRO NC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000491469746 1072583764 /nfs/dbraw/zinc/58/37/64/1072583764.db2.gz DJRNMRGIGOBFRP-UHFFFAOYSA-N 1 0 431.493 -0.354 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCn2c(=O)[nH]c3ccccc32)cn1 ZINC000491511901 1072584678 /nfs/dbraw/zinc/58/46/78/1072584678.db2.gz JXVXWTCKNRNXEJ-UHFFFAOYSA-N 1 0 442.480 -0.629 20 0 IBADRO CN(C(=O)CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C1CCCCC1 ZINC000491511952 1072584806 /nfs/dbraw/zinc/58/48/06/1072584806.db2.gz KLQQZIWEICLPCL-UHFFFAOYSA-N 1 0 435.529 -0.593 20 0 IBADRO C[C@@H](N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1)C(F)(F)F ZINC000491527636 1072584819 /nfs/dbraw/zinc/58/48/19/1072584819.db2.gz BFNVOYHUJDKHFS-CYBMUJFWSA-N 1 0 447.462 -0.406 20 0 IBADRO C[C@H](N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1)C(F)(F)F ZINC000491527637 1072584813 /nfs/dbraw/zinc/58/48/13/1072584813.db2.gz BFNVOYHUJDKHFS-ZDUSSCGKSA-N 1 0 447.462 -0.406 20 0 IBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000491535394 1072584776 /nfs/dbraw/zinc/58/47/76/1072584776.db2.gz ZCZAWJMVDLBPOL-HNNXBMFYSA-N 1 0 428.511 -0.613 20 0 IBADRO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000491535395 1072584718 /nfs/dbraw/zinc/58/47/18/1072584718.db2.gz ZCZAWJMVDLBPOL-OAHLLOKOSA-N 1 0 428.511 -0.613 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cn1 ZINC000491573842 1072586853 /nfs/dbraw/zinc/58/68/53/1072586853.db2.gz UNHDOGYACRPGCE-AWEZNQCLSA-N 1 0 436.513 -0.310 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)cn1 ZINC000491573843 1072587031 /nfs/dbraw/zinc/58/70/31/1072587031.db2.gz UNHDOGYACRPGCE-CQSZACIVSA-N 1 0 436.513 -0.310 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](Oc3ccncc3)C2)cn1 ZINC000491575157 1072586827 /nfs/dbraw/zinc/58/68/27/1072586827.db2.gz YZIPXCYBYDUWDM-KRWDZBQOSA-N 1 0 429.481 -0.426 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cn1 ZINC000491578380 1072586000 /nfs/dbraw/zinc/58/60/00/1072586000.db2.gz GEPICMBLZWXIDN-GOSISDBHSA-N 1 0 444.492 -0.195 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cn1 ZINC000491578381 1072585672 /nfs/dbraw/zinc/58/56/72/1072585672.db2.gz GEPICMBLZWXIDN-SFHVURJKSA-N 1 0 444.492 -0.195 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cn1 ZINC000491579544 1072585916 /nfs/dbraw/zinc/58/59/16/1072585916.db2.gz RRMGLBHTKVVBTM-INIZCTEOSA-N 1 0 447.540 -0.640 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cn1 ZINC000491579545 1072585660 /nfs/dbraw/zinc/58/56/60/1072585660.db2.gz RRMGLBHTKVVBTM-MRXNPFEDSA-N 1 0 447.540 -0.640 20 0 IBADRO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1n1ccnc1 ZINC000491580353 1072585807 /nfs/dbraw/zinc/58/58/07/1072585807.db2.gz AJVHBJUYRXVVLB-DOTOQJQBSA-N 1 0 430.513 -0.194 20 0 IBADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1n1ccnc1 ZINC000491580354 1072585929 /nfs/dbraw/zinc/58/59/29/1072585929.db2.gz AJVHBJUYRXVVLB-NVXWUHKLSA-N 1 0 430.513 -0.194 20 0 IBADRO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1n1ccnc1 ZINC000491580355 1072585834 /nfs/dbraw/zinc/58/58/34/1072585834.db2.gz AJVHBJUYRXVVLB-RDJZCZTQSA-N 1 0 430.513 -0.194 20 0 IBADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1n1ccnc1 ZINC000491580356 1072585889 /nfs/dbraw/zinc/58/58/89/1072585889.db2.gz AJVHBJUYRXVVLB-WBVHZDCISA-N 1 0 430.513 -0.194 20 0 IBADRO Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)CC2)c1 ZINC000491581579 1072586495 /nfs/dbraw/zinc/58/64/95/1072586495.db2.gz NWNSZVAXMXOBJV-UHFFFAOYSA-N 1 0 442.524 -0.448 20 0 IBADRO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491581798 1072585684 /nfs/dbraw/zinc/58/56/84/1072585684.db2.gz PZHIMMJKIIUALH-INIZCTEOSA-N 1 0 435.529 -0.641 20 0 IBADRO CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000491581799 1072585981 /nfs/dbraw/zinc/58/59/81/1072585981.db2.gz PZHIMMJKIIUALH-MRXNPFEDSA-N 1 0 435.529 -0.641 20 0 IBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000491582346 1072586446 /nfs/dbraw/zinc/58/64/46/1072586446.db2.gz WZYAQWAQOMMFRB-UHFFFAOYSA-N 1 0 448.611 -0.347 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[C@H]2COc3ccccc3O2)cn1 ZINC000491583800 1072586431 /nfs/dbraw/zinc/58/64/31/1072586431.db2.gz NBXRCXXFNYRYBE-INIZCTEOSA-N 1 0 444.492 -0.154 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[C@@H]2COc3ccccc3O2)cn1 ZINC000491583801 1072586514 /nfs/dbraw/zinc/58/65/14/1072586514.db2.gz NBXRCXXFNYRYBE-MRXNPFEDSA-N 1 0 444.492 -0.154 20 0 IBADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C(=O)N1CCCC[C@H]1C ZINC000491585343 1072586338 /nfs/dbraw/zinc/58/63/38/1072586338.db2.gz CBVCEMVZMIEFNV-CABCVRRESA-N 1 0 435.529 -0.595 20 0 IBADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C(=O)N1CCCC[C@@H]1C ZINC000491585344 1072586936 /nfs/dbraw/zinc/58/69/36/1072586936.db2.gz CBVCEMVZMIEFNV-GJZGRUSLSA-N 1 0 435.529 -0.595 20 0 IBADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C(=O)N1CCCC[C@H]1C ZINC000491585345 1072587010 /nfs/dbraw/zinc/58/70/10/1072587010.db2.gz CBVCEMVZMIEFNV-HUUCEWRRSA-N 1 0 435.529 -0.595 20 0 IBADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C(=O)N1CCCC[C@@H]1C ZINC000491585346 1072587073 /nfs/dbraw/zinc/58/70/73/1072587073.db2.gz CBVCEMVZMIEFNV-LSDHHAIUSA-N 1 0 435.529 -0.595 20 0 IBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000491677951 1072588670 /nfs/dbraw/zinc/58/86/70/1072588670.db2.gz RIGVSWRQJMMATO-HNNXBMFYSA-N 1 0 444.579 -0.088 20 0 IBADRO CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000491677954 1072588633 /nfs/dbraw/zinc/58/86/33/1072588633.db2.gz RIGVSWRQJMMATO-OAHLLOKOSA-N 1 0 444.579 -0.088 20 0 IBADRO C[N@H+](CCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)C1CC1 ZINC000491822519 1072589205 /nfs/dbraw/zinc/58/92/05/1072589205.db2.gz QBXHRGCEHPQZME-UHFFFAOYSA-N 1 0 445.567 -0.556 20 0 IBADRO Cn1c2ncn(CCC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c2c(=O)n(C)c1=O ZINC000491993396 1072590267 /nfs/dbraw/zinc/59/02/67/1072590267.db2.gz DMHSJCMZVHQZFV-CVEARBPZSA-N 1 0 432.525 -0.292 20 0 IBADRO Cn1c2ncn(CCC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c2c(=O)n(C)c1=O ZINC000491993400 1072590363 /nfs/dbraw/zinc/59/03/63/1072590363.db2.gz DMHSJCMZVHQZFV-HOTGVXAUSA-N 1 0 432.525 -0.292 20 0 IBADRO Cn1c2ncn(CCC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c2c(=O)n(C)c1=O ZINC000491993402 1072590221 /nfs/dbraw/zinc/59/02/21/1072590221.db2.gz DMHSJCMZVHQZFV-HZPDHXFCSA-N 1 0 432.525 -0.292 20 0 IBADRO Cn1c2ncn(CCC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c2c(=O)n(C)c1=O ZINC000491993404 1072590943 /nfs/dbraw/zinc/59/09/43/1072590943.db2.gz DMHSJCMZVHQZFV-JKSUJKDBSA-N 1 0 432.525 -0.292 20 0 IBADRO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000492824632 1072601478 /nfs/dbraw/zinc/60/14/78/1072601478.db2.gz AYUGYVNGMXGZEO-MOPGFXCFSA-N 1 0 430.615 -0.250 20 0 IBADRO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000492824633 1072601296 /nfs/dbraw/zinc/60/12/96/1072601296.db2.gz AYUGYVNGMXGZEO-OALUTQOASA-N 1 0 430.615 -0.250 20 0 IBADRO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000492824634 1072601241 /nfs/dbraw/zinc/60/12/41/1072601241.db2.gz AYUGYVNGMXGZEO-RBUKOAKNSA-N 1 0 430.615 -0.250 20 0 IBADRO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000492824635 1072601385 /nfs/dbraw/zinc/60/13/85/1072601385.db2.gz AYUGYVNGMXGZEO-RTBURBONSA-N 1 0 430.615 -0.250 20 0 IBADRO CN(CCC[NH+]1CCN(C)CC1)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000492888542 1072601461 /nfs/dbraw/zinc/60/14/61/1072601461.db2.gz DPLRQOLTPHXODM-UHFFFAOYSA-N 1 0 442.564 -0.071 20 0 IBADRO O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000493912328 1072612522 /nfs/dbraw/zinc/61/25/22/1072612522.db2.gz YNCSQAZHWFFEKD-UHFFFAOYSA-N 1 0 449.577 -0.339 20 0 IBADRO 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C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000498998244 1072914289 /nfs/dbraw/zinc/91/42/89/1072914289.db2.gz KQMIZZSVSPFVHC-ZDUSSCGKSA-N 1 0 429.518 -0.233 20 0 IBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499004979 1072915385 /nfs/dbraw/zinc/91/53/85/1072915385.db2.gz UKIJUKIUNGWIGH-FGTMMUONSA-N 1 0 443.548 -0.226 20 0 IBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499004980 1072915303 /nfs/dbraw/zinc/91/53/03/1072915303.db2.gz UKIJUKIUNGWIGH-KURKYZTESA-N 1 0 443.548 -0.226 20 0 IBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499004981 1072915283 /nfs/dbraw/zinc/91/52/83/1072915283.db2.gz UKIJUKIUNGWIGH-KZNAEPCWSA-N 1 0 443.548 -0.226 20 0 IBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499004982 1072915250 /nfs/dbraw/zinc/91/52/50/1072915250.db2.gz UKIJUKIUNGWIGH-SQNIBIBYSA-N 1 0 443.548 -0.226 20 0 IBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000499042789 1072924098 /nfs/dbraw/zinc/92/40/98/1072924098.db2.gz GCEGBKJOQZFISX-CYBMUJFWSA-N 1 0 428.486 -0.147 20 0 IBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000499042790 1072924122 /nfs/dbraw/zinc/92/41/22/1072924122.db2.gz GCEGBKJOQZFISX-ZDUSSCGKSA-N 1 0 428.486 -0.147 20 0 IBADRO C[NH+]1CCC(O)(CNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000499097970 1072925691 /nfs/dbraw/zinc/92/56/91/1072925691.db2.gz JUWZQFILKQDFIM-CVEARBPZSA-N 1 0 430.505 -0.405 20 0 IBADRO C[NH+]1CCC(O)(CNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000499097971 1072925752 /nfs/dbraw/zinc/92/57/52/1072925752.db2.gz JUWZQFILKQDFIM-HOTGVXAUSA-N 1 0 430.505 -0.405 20 0 IBADRO C[NH+]1CCC(O)(CNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000499097972 1072925794 /nfs/dbraw/zinc/92/57/94/1072925794.db2.gz JUWZQFILKQDFIM-HZPDHXFCSA-N 1 0 430.505 -0.405 20 0 IBADRO C[NH+]1CCC(O)(CNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000499097973 1072926451 /nfs/dbraw/zinc/92/64/51/1072926451.db2.gz JUWZQFILKQDFIM-JKSUJKDBSA-N 1 0 430.505 -0.405 20 0 IBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000499130253 1072927274 /nfs/dbraw/zinc/92/72/74/1072927274.db2.gz IOHYUBGXPZSFRS-UHFFFAOYSA-N 1 0 430.303 -0.372 20 0 IBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000499130498 1072927295 /nfs/dbraw/zinc/92/72/95/1072927295.db2.gz KWSALSBMAWIIDE-UHFFFAOYSA-N 1 0 441.532 -0.025 20 0 IBADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000499133877 1072928010 /nfs/dbraw/zinc/92/80/10/1072928010.db2.gz MRRKYTSHFMJUQG-ZDUSSCGKSA-N 1 0 429.543 -0.125 20 0 IBADRO CCN1CCN(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C(=O)C1=O ZINC000499135876 1072927897 /nfs/dbraw/zinc/92/78/97/1072927897.db2.gz UDLKDJJQJHVVLY-UHFFFAOYSA-N 1 0 435.569 -0.092 20 0 IBADRO 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COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000499390124 1073125975 /nfs/dbraw/zinc/12/59/75/1073125975.db2.gz SGBRDGMYBWBWTM-SFHVURJKSA-N 1 0 445.520 -0.234 20 0 IBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000499530010 1073167183 /nfs/dbraw/zinc/16/71/83/1073167183.db2.gz HMFGJQKUIYPQOV-GOSISDBHSA-N 1 0 444.536 -0.531 20 0 IBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000499530064 1073166703 /nfs/dbraw/zinc/16/67/03/1073166703.db2.gz HMFGJQKUIYPQOV-SFHVURJKSA-N 1 0 444.536 -0.531 20 0 IBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1F ZINC000499572999 1073177257 /nfs/dbraw/zinc/17/72/57/1073177257.db2.gz PUGNMJQGIHLWOW-CYBMUJFWSA-N 1 0 429.518 -0.186 20 0 IBADRO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1F ZINC000499573008 1073177240 /nfs/dbraw/zinc/17/72/40/1073177240.db2.gz PUGNMJQGIHLWOW-ZDUSSCGKSA-N 1 0 429.518 -0.186 20 0 IBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000499578873 1073182554 /nfs/dbraw/zinc/18/25/54/1073182554.db2.gz YWGDMDIXSAOZGD-GOSISDBHSA-N 1 0 443.552 -0.415 20 0 IBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000499578874 1073182727 /nfs/dbraw/zinc/18/27/27/1073182727.db2.gz YWGDMDIXSAOZGD-SFHVURJKSA-N 1 0 443.552 -0.415 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)[C@@H](C)O)cc1 ZINC000499579529 1073182686 /nfs/dbraw/zinc/18/26/86/1073182686.db2.gz CHHKLYMMNNTKMI-CRAIPNDOSA-N 1 0 426.539 -0.745 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)[C@H](C)O)cc1 ZINC000499579532 1073183126 /nfs/dbraw/zinc/18/31/26/1073183126.db2.gz CHHKLYMMNNTKMI-MAUKXSAKSA-N 1 0 426.539 -0.745 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)[C@@H](C)O)cc1 ZINC000499579534 1073183182 /nfs/dbraw/zinc/18/31/82/1073183182.db2.gz CHHKLYMMNNTKMI-QAPCUYQASA-N 1 0 426.539 -0.745 20 0 IBADRO 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20 0 IBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)[C@H](C)C1 ZINC000501979241 1071673524 /nfs/dbraw/zinc/67/35/24/1071673524.db2.gz NQFJWVCGFPTKEJ-LVCYWYKZSA-N 1 0 446.548 -0.116 20 0 IBADRO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)[C@@H](C)C1 ZINC000501979243 1071673332 /nfs/dbraw/zinc/67/33/32/1071673332.db2.gz NQFJWVCGFPTKEJ-WFXMLNOXSA-N 1 0 446.548 -0.116 20 0 IBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3CO)CC2)c1 ZINC000502082193 1071680006 /nfs/dbraw/zinc/68/00/06/1071680006.db2.gz VRGFOCKAHPOAFX-HNNXBMFYSA-N 1 0 427.523 -0.007 20 0 IBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3CO)CC2)c1 ZINC000502082194 1071679942 /nfs/dbraw/zinc/67/99/42/1071679942.db2.gz VRGFOCKAHPOAFX-OAHLLOKOSA-N 1 0 427.523 -0.007 20 0 IBADRO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccnc(OCC[NH+](C)C)c3)CC2)CC1 ZINC000502083674 1071679979 /nfs/dbraw/zinc/67/99/79/1071679979.db2.gz XWMVMZFWFNWAHJ-UHFFFAOYSA-N 1 0 440.570 -0.728 20 0 IBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1nnnn1-c1ccccc1 ZINC000502110900 1071681764 /nfs/dbraw/zinc/68/17/64/1071681764.db2.gz LADKAALUAKJGGN-DOTOQJQBSA-N 1 0 440.508 -0.396 20 0 IBADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1nnnn1-c1ccccc1 ZINC000502110905 1071681796 /nfs/dbraw/zinc/68/17/96/1071681796.db2.gz LADKAALUAKJGGN-NVXWUHKLSA-N 1 0 440.508 -0.396 20 0 IBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1nnnn1-c1ccccc1 ZINC000502110907 1071681691 /nfs/dbraw/zinc/68/16/91/1071681691.db2.gz LADKAALUAKJGGN-RDJZCZTQSA-N 1 0 440.508 -0.396 20 0 IBADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1nnnn1-c1ccccc1 ZINC000502110908 1071681744 /nfs/dbraw/zinc/68/17/44/1071681744.db2.gz LADKAALUAKJGGN-WBVHZDCISA-N 1 0 440.508 -0.396 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000502142569 1071683831 /nfs/dbraw/zinc/68/38/31/1071683831.db2.gz SLNHNASCRBXWTC-INIZCTEOSA-N 1 0 442.524 -0.148 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000502142570 1071683812 /nfs/dbraw/zinc/68/38/12/1071683812.db2.gz SLNHNASCRBXWTC-MRXNPFEDSA-N 1 0 442.524 -0.148 20 0 IBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1nnnn1-c1ccccc1 ZINC000502154733 1071684380 /nfs/dbraw/zinc/68/43/80/1071684380.db2.gz MWEAKNGSZFXDRB-INIZCTEOSA-N 1 0 440.508 -0.394 20 0 IBADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1nnnn1-c1ccccc1 ZINC000502154734 1071684386 /nfs/dbraw/zinc/68/43/86/1071684386.db2.gz MWEAKNGSZFXDRB-MRXNPFEDSA-N 1 0 440.508 -0.394 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000502254718 1071687806 /nfs/dbraw/zinc/68/78/06/1071687806.db2.gz OOGIWGGYNQQQCO-UHFFFAOYSA-N 1 0 433.600 -0.685 20 0 IBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502263401 1071687171 /nfs/dbraw/zinc/68/71/71/1071687171.db2.gz XYXREXMHFYVJFR-DLBZAZTESA-N 1 0 435.569 -0.001 20 0 IBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000502263403 1071687198 /nfs/dbraw/zinc/68/71/98/1071687198.db2.gz XYXREXMHFYVJFR-IAGOWNOFSA-N 1 0 435.569 -0.001 20 0 IBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502263405 1071687163 /nfs/dbraw/zinc/68/71/63/1071687163.db2.gz XYXREXMHFYVJFR-IRXDYDNUSA-N 1 0 435.569 -0.001 20 0 IBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000502263406 1071687123 /nfs/dbraw/zinc/68/71/23/1071687123.db2.gz XYXREXMHFYVJFR-SJORKVTESA-N 1 0 435.569 -0.001 20 0 IBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)C1 ZINC000502294669 1071689785 /nfs/dbraw/zinc/68/97/85/1071689785.db2.gz MJJVNARWMLVJIW-CEXWTWQISA-N 1 0 435.569 -0.491 20 0 IBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)C1 ZINC000502294670 1071689995 /nfs/dbraw/zinc/68/99/95/1071689995.db2.gz MJJVNARWMLVJIW-GUDVDZBRSA-N 1 0 435.569 -0.491 20 0 IBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)C1 ZINC000502294671 1071689904 /nfs/dbraw/zinc/68/99/04/1071689904.db2.gz MJJVNARWMLVJIW-QRVBRYPASA-N 1 0 435.569 -0.491 20 0 IBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)C1 ZINC000502294672 1071689841 /nfs/dbraw/zinc/68/98/41/1071689841.db2.gz MJJVNARWMLVJIW-QYZOEREBSA-N 1 0 435.569 -0.491 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000502341790 1071691553 /nfs/dbraw/zinc/69/15/53/1071691553.db2.gz NJVBTVOLQIFRRE-MOPGFXCFSA-N 1 0 446.614 -0.414 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000502341791 1071691580 /nfs/dbraw/zinc/69/15/80/1071691580.db2.gz NJVBTVOLQIFRRE-OALUTQOASA-N 1 0 446.614 -0.414 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000502341792 1071691745 /nfs/dbraw/zinc/69/17/45/1071691745.db2.gz NJVBTVOLQIFRRE-RBUKOAKNSA-N 1 0 446.614 -0.414 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000502341793 1071691536 /nfs/dbraw/zinc/69/15/36/1071691536.db2.gz NJVBTVOLQIFRRE-RTBURBONSA-N 1 0 446.614 -0.414 20 0 IBADRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000502376755 1071692359 /nfs/dbraw/zinc/69/23/59/1071692359.db2.gz VTNQPQCXTHCLGG-DLBZAZTESA-N 1 0 435.550 -0.515 20 0 IBADRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000502376756 1071692369 /nfs/dbraw/zinc/69/23/69/1071692369.db2.gz VTNQPQCXTHCLGG-IAGOWNOFSA-N 1 0 435.550 -0.515 20 0 IBADRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000502376757 1071692869 /nfs/dbraw/zinc/69/28/69/1071692869.db2.gz VTNQPQCXTHCLGG-IRXDYDNUSA-N 1 0 435.550 -0.515 20 0 IBADRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000502376758 1071692831 /nfs/dbraw/zinc/69/28/31/1071692831.db2.gz VTNQPQCXTHCLGG-SJORKVTESA-N 1 0 435.550 -0.515 20 0 IBADRO Cn1c2ncn(CCC(=O)NCc3cccnc3N3CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000502377026 1071692375 /nfs/dbraw/zinc/69/23/75/1071692375.db2.gz HHKFUFXBGGHDJE-UHFFFAOYSA-N 1 0 440.508 -0.713 20 0 IBADRO O=C(Cn1cnnn1)N1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000502407082 1071693514 /nfs/dbraw/zinc/69/35/14/1071693514.db2.gz MJWGPHKJIWFTLW-UHFFFAOYSA-N 1 0 441.540 -0.261 20 0 IBADRO COC1CC[NH+](C2(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CCCC2)CC1 ZINC000502490552 1071693803 /nfs/dbraw/zinc/69/38/03/1071693803.db2.gz YNHNRQCNXWJQJI-UHFFFAOYSA-N 1 0 432.525 -0.027 20 0 IBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)[C@H]2C1 ZINC000502515557 1071695221 /nfs/dbraw/zinc/69/52/21/1071695221.db2.gz IAVMORYIUODQDU-ZWKOTPCHSA-N 1 0 436.534 -0.258 20 0 IBADRO COC1CC[NH+](C2(CNC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CCCC2)CC1 ZINC000502542854 1071695124 /nfs/dbraw/zinc/69/51/24/1071695124.db2.gz OUBNNFNOIWTIGJ-UHFFFAOYSA-N 1 0 432.525 -0.027 20 0 IBADRO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(S(=O)(=O)N3CCCC3)CC1)c(=O)n2C ZINC000502557904 1071695547 /nfs/dbraw/zinc/69/55/47/1071695547.db2.gz GTQVZXMFIQJRRC-UHFFFAOYSA-N 1 0 438.554 -0.286 20 0 IBADRO CC[NH+](CC)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000502580677 1071696276 /nfs/dbraw/zinc/69/62/76/1071696276.db2.gz IEYRBNZUZKEEKS-CABCVRRESA-N 1 0 449.599 -0.556 20 0 IBADRO CC[NH+](CC)CCN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000502580678 1071696224 /nfs/dbraw/zinc/69/62/24/1071696224.db2.gz IEYRBNZUZKEEKS-GJZGRUSLSA-N 1 0 449.599 -0.556 20 0 IBADRO CC[NH+](CC)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000502580679 1071696196 /nfs/dbraw/zinc/69/61/96/1071696196.db2.gz IEYRBNZUZKEEKS-HUUCEWRRSA-N 1 0 449.599 -0.556 20 0 IBADRO CC[NH+](CC)CCN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000502580680 1071696324 /nfs/dbraw/zinc/69/63/24/1071696324.db2.gz IEYRBNZUZKEEKS-LSDHHAIUSA-N 1 0 449.599 -0.556 20 0 IBADRO CC[NH+](CC)CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000502588336 1071696213 /nfs/dbraw/zinc/69/62/13/1071696213.db2.gz PACCLZYECIHWMG-HNNXBMFYSA-N 1 0 449.599 -0.636 20 0 IBADRO CC[NH+](CC)CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000502588337 1071696312 /nfs/dbraw/zinc/69/63/12/1071696312.db2.gz PACCLZYECIHWMG-OAHLLOKOSA-N 1 0 449.599 -0.636 20 0 IBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@H]2C1 ZINC000502594506 1071696258 /nfs/dbraw/zinc/69/62/58/1071696258.db2.gz JDSLTJQJKDHTOC-ZWKOTPCHSA-N 1 0 436.534 -0.258 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000502614649 1071697602 /nfs/dbraw/zinc/69/76/02/1071697602.db2.gz ANSWCFVPGMYRDV-IBGZPJMESA-N 1 0 428.555 -0.040 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000502614650 1071697428 /nfs/dbraw/zinc/69/74/28/1071697428.db2.gz ANSWCFVPGMYRDV-LJQANCHMSA-N 1 0 428.555 -0.040 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000502628501 1071697051 /nfs/dbraw/zinc/69/70/51/1071697051.db2.gz RNKAZTJWTQUOKK-GOSISDBHSA-N 1 0 428.559 -0.855 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000502628502 1071696983 /nfs/dbraw/zinc/69/69/83/1071696983.db2.gz RNKAZTJWTQUOKK-SFHVURJKSA-N 1 0 428.559 -0.855 20 0 IBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)[C@H]2C1 ZINC000502637143 1071697374 /nfs/dbraw/zinc/69/73/74/1071697374.db2.gz NJHLYLZODYKNOF-ZWKOTPCHSA-N 1 0 438.550 -0.012 20 0 IBADRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)c3ccc(CNC(C)=O)s3)[C@H]2C1 ZINC000502720052 1071700822 /nfs/dbraw/zinc/70/08/22/1071700822.db2.gz DLEYOQDMPZGSEV-JKSUJKDBSA-N 1 0 444.579 -0.016 20 0 IBADRO CC(C)([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(=O)NCC1CCCC1 ZINC000502733256 1071227623 /nfs/dbraw/zinc/22/76/23/1071227623.db2.gz UMVDYLPEEAFMGZ-UHFFFAOYSA-N 1 0 437.585 -0.336 20 0 IBADRO CC(C)([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(=O)NCC1CCCC1 ZINC000502737300 1071701296 /nfs/dbraw/zinc/70/12/96/1071701296.db2.gz JWEDZEKZNQKHIC-KRWDZBQOSA-N 1 0 428.599 -0.008 20 0 IBADRO CC(C)([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(=O)NCC1CCCC1 ZINC000502737301 1071701242 /nfs/dbraw/zinc/70/12/42/1071701242.db2.gz JWEDZEKZNQKHIC-QGZVFWFLSA-N 1 0 428.599 -0.008 20 0 IBADRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000502769820 1071227651 /nfs/dbraw/zinc/22/76/51/1071227651.db2.gz JJCAWLPACYWJSI-UHFFFAOYSA-N 1 0 425.574 -0.480 20 0 IBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000502829771 1071706356 /nfs/dbraw/zinc/70/63/56/1071706356.db2.gz RPICGKBMCSATHG-HDICACEKSA-N 1 0 447.602 -0.220 20 0 IBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000502829774 1071706272 /nfs/dbraw/zinc/70/62/72/1071706272.db2.gz RPICGKBMCSATHG-QZTJIDSGSA-N 1 0 447.602 -0.220 20 0 IBADRO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000502829775 1071706308 /nfs/dbraw/zinc/70/63/08/1071706308.db2.gz RPICGKBMCSATHG-ROUUACIJSA-N 1 0 447.602 -0.220 20 0 IBADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000502846403 1071706717 /nfs/dbraw/zinc/70/67/17/1071706717.db2.gz OKGUXKLLQGKHEL-UHFFFAOYSA-N 1 0 446.618 -0.692 20 0 IBADRO CCN1CC[NH+](CCCCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000502879569 1071706858 /nfs/dbraw/zinc/70/68/58/1071706858.db2.gz ZJCXDZARTNSFCE-UHFFFAOYSA-N 1 0 438.573 -0.883 20 0 IBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)o1 ZINC000502886461 1071707697 /nfs/dbraw/zinc/70/76/97/1071707697.db2.gz GTLTWSXVZMCPRQ-UHFFFAOYSA-N 1 0 443.526 -0.493 20 0 IBADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000502886944 1071707093 /nfs/dbraw/zinc/70/70/93/1071707093.db2.gz JBOKQNSOWNNRID-IBGZPJMESA-N 1 0 428.555 -0.184 20 0 IBADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000502886945 1071707123 /nfs/dbraw/zinc/70/71/23/1071707123.db2.gz JBOKQNSOWNNRID-LJQANCHMSA-N 1 0 428.555 -0.184 20 0 IBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000502892530 1071707106 /nfs/dbraw/zinc/70/71/06/1071707106.db2.gz LKSOYDPTYHJOBO-IBGZPJMESA-N 1 0 426.539 -0.418 20 0 IBADRO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000502892531 1071707541 /nfs/dbraw/zinc/70/75/41/1071707541.db2.gz LKSOYDPTYHJOBO-LJQANCHMSA-N 1 0 426.539 -0.418 20 0 IBADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000502894705 1071707504 /nfs/dbraw/zinc/70/75/04/1071707504.db2.gz XNFWDOCUUPVGOS-IBGZPJMESA-N 1 0 428.555 -0.124 20 0 IBADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000502894708 1071707606 /nfs/dbraw/zinc/70/76/06/1071707606.db2.gz XNFWDOCUUPVGOS-LJQANCHMSA-N 1 0 428.555 -0.124 20 0 IBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c1OC ZINC000502918360 1072434656 /nfs/dbraw/zinc/43/46/56/1072434656.db2.gz HSFLJTJLZNWRQI-IBGZPJMESA-N 1 0 445.538 -0.233 20 0 IBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1OC ZINC000502918361 1072434643 /nfs/dbraw/zinc/43/46/43/1072434643.db2.gz HSFLJTJLZNWRQI-LJQANCHMSA-N 1 0 445.538 -0.233 20 0 IBADRO COc1ccc(CC(=O)NC[C@](C)(O)C[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000502918372 1071708225 /nfs/dbraw/zinc/70/82/25/1071708225.db2.gz HWCDGFPEILDKMH-IBGZPJMESA-N 1 0 429.539 -0.313 20 0 IBADRO COc1ccc(CC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000502918373 1071708747 /nfs/dbraw/zinc/70/87/47/1071708747.db2.gz HWCDGFPEILDKMH-LJQANCHMSA-N 1 0 429.539 -0.313 20 0 IBADRO Cn1c2ncc(NC(=O)NCCCC[NH+]3CCC(C(N)=O)CC3)cc2c(=O)n(C)c1=O ZINC000502925012 1071708252 /nfs/dbraw/zinc/70/82/52/1071708252.db2.gz XJRNLYNDKZITAB-UHFFFAOYSA-N 1 0 431.497 -0.269 20 0 IBADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@](C)(O)C[NH+](C)C)c2)CC1 ZINC000502936413 1071708637 /nfs/dbraw/zinc/70/86/37/1071708637.db2.gz SALXJXIJGSINRB-IBGZPJMESA-N 1 0 426.539 -0.418 20 0 IBADRO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c2)CC1 ZINC000502936414 1071708165 /nfs/dbraw/zinc/70/81/65/1071708165.db2.gz SALXJXIJGSINRB-LJQANCHMSA-N 1 0 426.539 -0.418 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000502939723 1071709554 /nfs/dbraw/zinc/70/95/54/1071709554.db2.gz MSGXPUJCZFGMDT-FQEVSTJZSA-N 1 0 440.566 -0.272 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000502939728 1071709501 /nfs/dbraw/zinc/70/95/01/1071709501.db2.gz MSGXPUJCZFGMDT-HXUWFJFHSA-N 1 0 440.566 -0.272 20 0 IBADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000502954236 1071709599 /nfs/dbraw/zinc/70/95/99/1071709599.db2.gz DTTXEGOIBQXZES-IBGZPJMESA-N 1 0 428.555 -0.124 20 0 IBADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000502954238 1071709634 /nfs/dbraw/zinc/70/96/34/1071709634.db2.gz DTTXEGOIBQXZES-LJQANCHMSA-N 1 0 428.555 -0.124 20 0 IBADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000503001085 1071710458 /nfs/dbraw/zinc/71/04/58/1071710458.db2.gz PQYZCJMGHXTGGE-HOTGVXAUSA-N 1 0 431.541 -0.549 20 0 IBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000503001090 1071710582 /nfs/dbraw/zinc/71/05/82/1071710582.db2.gz PQYZCJMGHXTGGE-HZPDHXFCSA-N 1 0 431.541 -0.549 20 0 IBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000503001091 1071710550 /nfs/dbraw/zinc/71/05/50/1071710550.db2.gz PQYZCJMGHXTGGE-IYBDPMFKSA-N 1 0 431.541 -0.549 20 0 IBADRO C[C@@H](CO)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000503075984 1071711571 /nfs/dbraw/zinc/71/15/71/1071711571.db2.gz SSXVJZZMHGLSQL-HNNXBMFYSA-N 1 0 427.523 -0.007 20 0 IBADRO C[C@H](CO)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000503075989 1071711507 /nfs/dbraw/zinc/71/15/07/1071711507.db2.gz SSXVJZZMHGLSQL-OAHLLOKOSA-N 1 0 427.523 -0.007 20 0 IBADRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2)CC1 ZINC000503120313 1071713028 /nfs/dbraw/zinc/71/30/28/1071713028.db2.gz KNTBYEHRKOGJSG-PMACEKPBSA-N 1 0 436.578 -0.338 20 0 IBADRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2)CC1 ZINC000503120315 1071712982 /nfs/dbraw/zinc/71/29/82/1071712982.db2.gz KNTBYEHRKOGJSG-UXHICEINSA-N 1 0 436.578 -0.338 20 0 IBADRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2)CC1 ZINC000503120317 1071713122 /nfs/dbraw/zinc/71/31/22/1071713122.db2.gz KNTBYEHRKOGJSG-VQTJNVASSA-N 1 0 436.578 -0.338 20 0 IBADRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2)CC1 ZINC000503120318 1071712956 /nfs/dbraw/zinc/71/29/56/1071712956.db2.gz KNTBYEHRKOGJSG-WOJBJXKFSA-N 1 0 436.578 -0.338 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](Cn3ccnn3)C2)cn1 ZINC000503120920 1071712545 /nfs/dbraw/zinc/71/25/45/1071712545.db2.gz MDAIWTWDBDZXKE-HNNXBMFYSA-N 1 0 431.501 -0.970 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](Cn3ccnn3)C2)cn1 ZINC000503120937 1071712471 /nfs/dbraw/zinc/71/24/71/1071712471.db2.gz MDAIWTWDBDZXKE-OAHLLOKOSA-N 1 0 431.501 -0.970 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000503182868 1071714098 /nfs/dbraw/zinc/71/40/98/1071714098.db2.gz AKYVWZQNHPHKRE-UHFFFAOYSA-N 1 0 430.557 -0.452 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000503193855 1071716246 /nfs/dbraw/zinc/71/62/46/1071716246.db2.gz UNVOUMPHIHDJGI-UHFFFAOYSA-N 1 0 444.584 -0.062 20 0 IBADRO COC(=O)C1(NCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCS(=O)(=O)CC1 ZINC000503197715 1071716223 /nfs/dbraw/zinc/71/62/23/1071716223.db2.gz DDDWGAORGQSTCJ-UHFFFAOYSA-N 1 0 445.582 -0.152 20 0 IBADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000503258743 1071718617 /nfs/dbraw/zinc/71/86/17/1071718617.db2.gz XCPKXUJEGNPSLA-AWEZNQCLSA-N 1 0 437.522 -0.844 20 0 IBADRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000503258744 1071718594 /nfs/dbraw/zinc/71/85/94/1071718594.db2.gz XCPKXUJEGNPSLA-CQSZACIVSA-N 1 0 437.522 -0.844 20 0 IBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)c2)CC1 ZINC000503276997 1071719024 /nfs/dbraw/zinc/71/90/24/1071719024.db2.gz PIDZIDNXQTWZKM-INIZCTEOSA-N 1 0 437.566 -0.029 20 0 IBADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)c2)CC1 ZINC000503277010 1071719015 /nfs/dbraw/zinc/71/90/15/1071719015.db2.gz PIDZIDNXQTWZKM-MRXNPFEDSA-N 1 0 437.566 -0.029 20 0 IBADRO O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000503293673 1071719607 /nfs/dbraw/zinc/71/96/07/1071719607.db2.gz AYNHWOPYFFBMAS-UHFFFAOYSA-N 1 0 428.493 -0.175 20 0 IBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000503307718 1071720481 /nfs/dbraw/zinc/72/04/81/1071720481.db2.gz CJEDSCMTLPYPKC-INIZCTEOSA-N 1 0 437.566 -0.029 20 0 IBADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000503307719 1071720430 /nfs/dbraw/zinc/72/04/30/1071720430.db2.gz CJEDSCMTLPYPKC-MRXNPFEDSA-N 1 0 437.566 -0.029 20 0 IBADRO CC[N@H+](CCOCCO)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000503438556 1071722923 /nfs/dbraw/zinc/72/29/23/1071722923.db2.gz PKUNQDDLRXFZKY-UHFFFAOYSA-N 1 0 429.539 -0.141 20 0 IBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)N2CCSCC2)CC1=O ZINC000503440648 1071722396 /nfs/dbraw/zinc/72/23/96/1071722396.db2.gz XOTHAXJLJFZTKT-CVEARBPZSA-N 1 0 432.612 -0.186 20 0 IBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)CC1=O ZINC000503440649 1071722411 /nfs/dbraw/zinc/72/24/11/1071722411.db2.gz XOTHAXJLJFZTKT-HOTGVXAUSA-N 1 0 432.612 -0.186 20 0 IBADRO 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KMGJJZAQZKPAPC-HNNXBMFYSA-N 1 0 445.520 -0.187 20 0 IBADRO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000504391428 1071744538 /nfs/dbraw/zinc/74/45/38/1071744538.db2.gz KMGJJZAQZKPAPC-OAHLLOKOSA-N 1 0 445.520 -0.187 20 0 IBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)o1 ZINC000504428990 1071744998 /nfs/dbraw/zinc/74/49/98/1071744998.db2.gz IANUUFFZMPEHAN-CYBMUJFWSA-N 1 0 425.511 -0.121 20 0 IBADRO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)o1 ZINC000504428991 1071744902 /nfs/dbraw/zinc/74/49/02/1071744902.db2.gz IANUUFFZMPEHAN-ZDUSSCGKSA-N 1 0 425.511 -0.121 20 0 IBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1C ZINC000504447104 1073314438 /nfs/dbraw/zinc/31/44/38/1073314438.db2.gz XVQUQFARJBNSPZ-HOTGVXAUSA-N 1 0 433.557 -0.107 20 0 IBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1C ZINC000504447105 1073314444 /nfs/dbraw/zinc/31/44/44/1073314444.db2.gz XVQUQFARJBNSPZ-HZPDHXFCSA-N 1 0 433.557 -0.107 20 0 IBADRO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C ZINC000504447106 1073314408 /nfs/dbraw/zinc/31/44/08/1073314408.db2.gz XVQUQFARJBNSPZ-IYBDPMFKSA-N 1 0 433.557 -0.107 20 0 IBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)CSc2nnnn2CC[NH+](C)C)CC1 ZINC000504504412 1071746792 /nfs/dbraw/zinc/74/67/92/1071746792.db2.gz YYGJQDBUZPNWGC-UHFFFAOYSA-N 1 0 431.530 -0.648 20 0 IBADRO CNC(=O)Cn1nc(NC(=O)C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1C ZINC000504508575 1073315033 /nfs/dbraw/zinc/31/50/33/1073315033.db2.gz WDCVCVCMGCEYMK-UHFFFAOYSA-N 1 0 441.536 -0.060 20 0 IBADRO COc1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1S(=O)(=O)N1CCCC1 ZINC000504526269 1071747346 /nfs/dbraw/zinc/74/73/46/1071747346.db2.gz QOURZYGUPICBLX-IBGZPJMESA-N 1 0 442.538 -0.153 20 0 IBADRO COc1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1S(=O)(=O)N1CCCC1 ZINC000504526270 1071747266 /nfs/dbraw/zinc/74/72/66/1071747266.db2.gz QOURZYGUPICBLX-LJQANCHMSA-N 1 0 442.538 -0.153 20 0 IBADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504526424 1071747273 /nfs/dbraw/zinc/74/72/73/1071747273.db2.gz RDLWXZLRRKSJTJ-GOSISDBHSA-N 1 0 428.511 -0.497 20 0 IBADRO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000504526425 1071747372 /nfs/dbraw/zinc/74/73/72/1071747372.db2.gz RDLWXZLRRKSJTJ-SFHVURJKSA-N 1 0 428.511 -0.497 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000504527524 1071747296 /nfs/dbraw/zinc/74/72/96/1071747296.db2.gz ZWVKAHDLLCRLRB-GOSISDBHSA-N 1 0 446.501 -0.786 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000504527525 1071747694 /nfs/dbraw/zinc/74/76/94/1071747694.db2.gz ZWVKAHDLLCRLRB-SFHVURJKSA-N 1 0 446.501 -0.786 20 0 IBADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000504534057 1071747232 /nfs/dbraw/zinc/74/72/32/1071747232.db2.gz VALWYOHBNKABGC-NRFANRHFSA-N 1 0 435.525 -0.550 20 0 IBADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504534058 1071747306 /nfs/dbraw/zinc/74/73/06/1071747306.db2.gz VALWYOHBNKABGC-OAQYLSRUSA-N 1 0 435.525 -0.550 20 0 IBADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000504538884 1071747768 /nfs/dbraw/zinc/74/77/68/1071747768.db2.gz ARHCJTFMHCCWSE-IBGZPJMESA-N 1 0 442.538 -0.617 20 0 IBADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504538885 1071747733 /nfs/dbraw/zinc/74/77/33/1071747733.db2.gz ARHCJTFMHCCWSE-LJQANCHMSA-N 1 0 442.538 -0.617 20 0 IBADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504547228 1071748133 /nfs/dbraw/zinc/74/81/33/1071748133.db2.gz QAURZZDXQPIPEE-GOSISDBHSA-N 1 0 430.527 -0.297 20 0 IBADRO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000504547229 1071748173 /nfs/dbraw/zinc/74/81/73/1071748173.db2.gz QAURZZDXQPIPEE-SFHVURJKSA-N 1 0 430.527 -0.297 20 0 IBADRO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504552986 1071748639 /nfs/dbraw/zinc/74/86/39/1071748639.db2.gz FINHDMKZXUGGJX-GOSISDBHSA-N 1 0 434.541 -0.009 20 0 IBADRO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504552987 1071748720 /nfs/dbraw/zinc/74/87/20/1071748720.db2.gz FINHDMKZXUGGJX-SFHVURJKSA-N 1 0 434.541 -0.009 20 0 IBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)CC1 ZINC000504554330 1071748742 /nfs/dbraw/zinc/74/87/42/1071748742.db2.gz KMTOFKZMRKNQQE-IBGZPJMESA-N 1 0 445.568 -0.341 20 0 IBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)CC1 ZINC000504554331 1071748772 /nfs/dbraw/zinc/74/87/72/1071748772.db2.gz KMTOFKZMRKNQQE-LJQANCHMSA-N 1 0 445.568 -0.341 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2=O)cn1 ZINC000504556527 1071747763 /nfs/dbraw/zinc/74/77/63/1071747763.db2.gz UVRBZCLGJURMCV-BZSNNMDCSA-N 1 0 432.525 -0.474 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2=O)cn1 ZINC000504556528 1071747656 /nfs/dbraw/zinc/74/76/56/1071747656.db2.gz UVRBZCLGJURMCV-KSZLIROESA-N 1 0 432.525 -0.474 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2=O)cn1 ZINC000504556529 1071747715 /nfs/dbraw/zinc/74/77/15/1071747715.db2.gz UVRBZCLGJURMCV-OKZBNKHCSA-N 1 0 432.525 -0.474 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2=O)cn1 ZINC000504556530 1071747684 /nfs/dbraw/zinc/74/76/84/1071747684.db2.gz UVRBZCLGJURMCV-RCCFBDPRSA-N 1 0 432.525 -0.474 20 0 IBADRO CNC(=O)Cn1nc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000504560159 1071748693 /nfs/dbraw/zinc/74/86/93/1071748693.db2.gz XCWGJTPFJYLYCX-UHFFFAOYSA-N 1 0 441.536 -0.190 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000504560932 1071748789 /nfs/dbraw/zinc/74/87/89/1071748789.db2.gz LXISIILCNLFRBG-GOSISDBHSA-N 1 0 428.511 -0.925 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000504560933 1071748648 /nfs/dbraw/zinc/74/86/48/1071748648.db2.gz LXISIILCNLFRBG-SFHVURJKSA-N 1 0 428.511 -0.925 20 0 IBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504562025 1071749029 /nfs/dbraw/zinc/74/90/29/1071749029.db2.gz AXBIRXCMCCYBRQ-LMMKCTJWSA-N 1 0 445.568 -0.341 20 0 IBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504562026 1071749097 /nfs/dbraw/zinc/74/90/97/1071749097.db2.gz AXBIRXCMCCYBRQ-SCTDSRPQSA-N 1 0 445.568 -0.341 20 0 IBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504562027 1071749081 /nfs/dbraw/zinc/74/90/81/1071749081.db2.gz AXBIRXCMCCYBRQ-ZHALLVOQSA-N 1 0 445.568 -0.341 20 0 IBADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504562028 1071749031 /nfs/dbraw/zinc/74/90/31/1071749031.db2.gz AXBIRXCMCCYBRQ-ZIFCJYIRSA-N 1 0 445.568 -0.341 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000504562164 1071748736 /nfs/dbraw/zinc/74/87/36/1071748736.db2.gz XFBKKUQNRMBTFB-DYESRHJHSA-N 1 0 434.493 -0.932 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000504562165 1071748732 /nfs/dbraw/zinc/74/87/32/1071748732.db2.gz XFBKKUQNRMBTFB-LAUBAEHRSA-N 1 0 434.493 -0.932 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000504562166 1071748657 /nfs/dbraw/zinc/74/86/57/1071748657.db2.gz XFBKKUQNRMBTFB-UTKZUKDTSA-N 1 0 434.493 -0.932 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000504562167 1071748671 /nfs/dbraw/zinc/74/86/71/1071748671.db2.gz XFBKKUQNRMBTFB-UWJYYQICSA-N 1 0 434.493 -0.932 20 0 IBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)c1 ZINC000504562799 1071749153 /nfs/dbraw/zinc/74/91/53/1071749153.db2.gz FXSFMVGEGGKVRW-INIZCTEOSA-N 1 0 427.465 -0.606 20 0 IBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)c1 ZINC000504562800 1071749056 /nfs/dbraw/zinc/74/90/56/1071749056.db2.gz FXSFMVGEGGKVRW-MRXNPFEDSA-N 1 0 427.465 -0.606 20 0 IBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCC3([NH+]4CCCCC4)CCN(C)CC3)C2=O)cn1 ZINC000504563119 1071749089 /nfs/dbraw/zinc/74/90/89/1071749089.db2.gz JLMJBHDTGBSPTM-GOSISDBHSA-N 1 0 445.568 -0.292 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NCC3([NH+]4CCCCC4)CCN(C)CC3)C2=O)cn1 ZINC000504563120 1071749118 /nfs/dbraw/zinc/74/91/18/1071749118.db2.gz JLMJBHDTGBSPTM-SFHVURJKSA-N 1 0 445.568 -0.292 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000504568151 1071749578 /nfs/dbraw/zinc/74/95/78/1071749578.db2.gz KDZKCTAZFIGRDS-NRFANRHFSA-N 1 0 435.525 -0.884 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000504568152 1071749558 /nfs/dbraw/zinc/74/95/58/1071749558.db2.gz KDZKCTAZFIGRDS-OAQYLSRUSA-N 1 0 435.525 -0.884 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000504568871 1071749741 /nfs/dbraw/zinc/74/97/41/1071749741.db2.gz VYNZVKSVQTVTEE-GOSISDBHSA-N 1 0 428.511 -0.925 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000504568872 1071749667 /nfs/dbraw/zinc/74/96/67/1071749667.db2.gz VYNZVKSVQTVTEE-SFHVURJKSA-N 1 0 428.511 -0.925 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000504569373 1071749693 /nfs/dbraw/zinc/74/96/93/1071749693.db2.gz YOJMKYWPPXCINB-NRFANRHFSA-N 1 0 426.477 -0.088 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000504569374 1071749581 /nfs/dbraw/zinc/74/95/81/1071749581.db2.gz YOJMKYWPPXCINB-OAQYLSRUSA-N 1 0 426.477 -0.088 20 0 IBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504570277 1071750251 /nfs/dbraw/zinc/75/02/51/1071750251.db2.gz IEUOSQWKDVSFIM-HNNXBMFYSA-N 1 0 427.465 -0.606 20 0 IBADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504570278 1071750265 /nfs/dbraw/zinc/75/02/65/1071750265.db2.gz IEUOSQWKDVSFIM-OAHLLOKOSA-N 1 0 427.465 -0.606 20 0 IBADRO COCC[N@H+](C)CCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000504574239 1071750771 /nfs/dbraw/zinc/75/07/71/1071750771.db2.gz AZWJGAJKZCUANF-CALCHBBNSA-N 1 0 435.591 -0.364 20 0 IBADRO COCC[N@H+](C)CCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000504574240 1071750760 /nfs/dbraw/zinc/75/07/60/1071750760.db2.gz AZWJGAJKZCUANF-IAGOWNOFSA-N 1 0 435.591 -0.364 20 0 IBADRO COCC[N@H+](C)CCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000504574241 1071750694 /nfs/dbraw/zinc/75/06/94/1071750694.db2.gz AZWJGAJKZCUANF-IRXDYDNUSA-N 1 0 435.591 -0.364 20 0 IBADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000504574712 1071750728 /nfs/dbraw/zinc/75/07/28/1071750728.db2.gz HPWUSJKGHGJKMV-GOSISDBHSA-N 1 0 429.543 -0.630 20 0 IBADRO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000504574713 1071750786 /nfs/dbraw/zinc/75/07/86/1071750786.db2.gz HPWUSJKGHGJKMV-SFHVURJKSA-N 1 0 429.543 -0.630 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000504575736 1071750747 /nfs/dbraw/zinc/75/07/47/1071750747.db2.gz RCWIYMFPNQCANC-JOCHJYFZSA-N 1 0 449.552 -0.273 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000504575737 1071750755 /nfs/dbraw/zinc/75/07/55/1071750755.db2.gz RCWIYMFPNQCANC-QFIPXVFZSA-N 1 0 449.552 -0.273 20 0 IBADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000504576764 1071751211 /nfs/dbraw/zinc/75/12/11/1071751211.db2.gz CJEICBFMPAOXDW-CRAIPNDOSA-N 1 0 431.541 -0.732 20 0 IBADRO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000504576765 1071751172 /nfs/dbraw/zinc/75/11/72/1071751172.db2.gz CJEICBFMPAOXDW-MAUKXSAKSA-N 1 0 431.541 -0.732 20 0 IBADRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000504576766 1071751108 /nfs/dbraw/zinc/75/11/08/1071751108.db2.gz CJEICBFMPAOXDW-QAPCUYQASA-N 1 0 431.541 -0.732 20 0 IBADRO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000504576767 1071751200 /nfs/dbraw/zinc/75/12/00/1071751200.db2.gz CJEICBFMPAOXDW-YJBOKZPZSA-N 1 0 431.541 -0.732 20 0 IBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)C2=O)cn1 ZINC000504577421 1071751096 /nfs/dbraw/zinc/75/10/96/1071751096.db2.gz JUZMQIUZTCMUCM-GOSISDBHSA-N 1 0 445.568 -0.482 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)C2=O)cn1 ZINC000504577422 1071751258 /nfs/dbraw/zinc/75/12/58/1071751258.db2.gz JUZMQIUZTCMUCM-SFHVURJKSA-N 1 0 445.568 -0.482 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000504579939 1071749599 /nfs/dbraw/zinc/74/95/99/1071749599.db2.gz ZBCZDYVUDNIXOK-AEFFLSMTSA-N 1 0 431.541 -0.730 20 0 IBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000504579940 1071749725 /nfs/dbraw/zinc/74/97/25/1071749725.db2.gz ZBCZDYVUDNIXOK-FUHWJXTLSA-N 1 0 431.541 -0.730 20 0 IBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000504579941 1071749567 /nfs/dbraw/zinc/74/95/67/1071749567.db2.gz ZBCZDYVUDNIXOK-SJLPKXTDSA-N 1 0 431.541 -0.730 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)C2=O)cn1 ZINC000504579942 1071749610 /nfs/dbraw/zinc/74/96/10/1071749610.db2.gz ZBCZDYVUDNIXOK-WMZOPIPTSA-N 1 0 431.541 -0.730 20 0 IBADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000504582158 1071752196 /nfs/dbraw/zinc/75/21/96/1071752196.db2.gz JIEIUALIYCUVDO-JOCHJYFZSA-N 1 0 433.553 -0.240 20 0 IBADRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000504582159 1071752041 /nfs/dbraw/zinc/75/20/41/1071752041.db2.gz JIEIUALIYCUVDO-QFIPXVFZSA-N 1 0 433.553 -0.240 20 0 IBADRO COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1S(=O)(=O)NC1CC1 ZINC000504582651 1071752161 /nfs/dbraw/zinc/75/21/61/1071752161.db2.gz PEFCWDVBAQDNRT-GOSISDBHSA-N 1 0 428.511 -0.497 20 0 IBADRO COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1S(=O)(=O)NC1CC1 ZINC000504582652 1071752081 /nfs/dbraw/zinc/75/20/81/1071752081.db2.gz PEFCWDVBAQDNRT-SFHVURJKSA-N 1 0 428.511 -0.497 20 0 IBADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)C[C@H](C)O1 ZINC000504587104 1071752551 /nfs/dbraw/zinc/75/25/51/1071752551.db2.gz YOWJKXIXXISSLC-FCEWJHQRSA-N 1 0 446.552 -0.011 20 0 IBADRO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)C[C@@H](C)O1 ZINC000504587105 1071752688 /nfs/dbraw/zinc/75/26/88/1071752688.db2.gz YOWJKXIXXISSLC-GPMSIDNRSA-N 1 0 446.552 -0.011 20 0 IBADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)C[C@H](C)O1 ZINC000504587106 1071752666 /nfs/dbraw/zinc/75/26/66/1071752666.db2.gz YOWJKXIXXISSLC-JTDSTZFVSA-N 1 0 446.552 -0.011 20 0 IBADRO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)C[C@@H](C)O1 ZINC000504587107 1071752584 /nfs/dbraw/zinc/75/25/84/1071752584.db2.gz YOWJKXIXXISSLC-MDZRGWNJSA-N 1 0 446.552 -0.011 20 0 IBADRO CCOC(=O)c1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc(S(C)(=O)=O)c1 ZINC000504590137 1071752680 /nfs/dbraw/zinc/75/26/80/1071752680.db2.gz PGXHYNKAKBIJOA-GOSISDBHSA-N 1 0 429.495 -0.366 20 0 IBADRO CCOC(=O)c1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc(S(C)(=O)=O)c1 ZINC000504590138 1071752623 /nfs/dbraw/zinc/75/26/23/1071752623.db2.gz PGXHYNKAKBIJOA-SFHVURJKSA-N 1 0 429.495 -0.366 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)C2=O)cn1 ZINC000504590839 1071753071 /nfs/dbraw/zinc/75/30/71/1071753071.db2.gz GCKRGYWIQAEHHJ-MOPGFXCFSA-N 1 0 440.504 -0.475 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)C2=O)cn1 ZINC000504590840 1071753195 /nfs/dbraw/zinc/75/31/95/1071753195.db2.gz GCKRGYWIQAEHHJ-OALUTQOASA-N 1 0 440.504 -0.475 20 0 IBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)C2=O)cn1 ZINC000504590841 1071753135 /nfs/dbraw/zinc/75/31/35/1071753135.db2.gz GCKRGYWIQAEHHJ-RBUKOAKNSA-N 1 0 440.504 -0.475 20 0 IBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)C2=O)cn1 ZINC000504590842 1071753015 /nfs/dbraw/zinc/75/30/15/1071753015.db2.gz GCKRGYWIQAEHHJ-RTBURBONSA-N 1 0 440.504 -0.475 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2=O)cn1 ZINC000504591128 1071753092 /nfs/dbraw/zinc/75/30/92/1071753092.db2.gz GVADBJPZAMXPEM-INIZCTEOSA-N 1 0 429.481 -0.707 20 0 IBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C2=O)cn1 ZINC000504591129 1071753186 /nfs/dbraw/zinc/75/31/86/1071753186.db2.gz GVADBJPZAMXPEM-MRXNPFEDSA-N 1 0 429.481 -0.707 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)C2=O)cn1 ZINC000504591162 1071752703 /nfs/dbraw/zinc/75/27/03/1071752703.db2.gz HKPCWGFPBRRRFC-IBGZPJMESA-N 1 0 446.552 -0.007 20 0 IBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)C2=O)cn1 ZINC000504591163 1071752603 /nfs/dbraw/zinc/75/26/03/1071752603.db2.gz HKPCWGFPBRRRFC-LJQANCHMSA-N 1 0 446.552 -0.007 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000504596904 1071751647 /nfs/dbraw/zinc/75/16/47/1071751647.db2.gz GEJHTGRIEAGHGI-JOCHJYFZSA-N 1 0 445.520 -0.133 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000504596909 1071751609 /nfs/dbraw/zinc/75/16/09/1071751609.db2.gz GEJHTGRIEAGHGI-QFIPXVFZSA-N 1 0 445.520 -0.133 20 0 IBADRO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000504597262 1071751693 /nfs/dbraw/zinc/75/16/93/1071751693.db2.gz KFAAMQGDMCZNKD-GOSISDBHSA-N 1 0 432.525 -0.255 20 0 IBADRO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)C2=O)cn1 ZINC000504597265 1071751657 /nfs/dbraw/zinc/75/16/57/1071751657.db2.gz KFAAMQGDMCZNKD-SFHVURJKSA-N 1 0 432.525 -0.255 20 0 IBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)CC1 ZINC000504598942 1071752189 /nfs/dbraw/zinc/75/21/89/1071752189.db2.gz SUIYILFSIXAWSV-IBGZPJMESA-N 1 0 445.568 -0.341 20 0 IBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)CC1 ZINC000504598944 1071752023 /nfs/dbraw/zinc/75/20/23/1071752023.db2.gz SUIYILFSIXAWSV-LJQANCHMSA-N 1 0 445.568 -0.341 20 0 IBADRO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504599232 1071751669 /nfs/dbraw/zinc/75/16/69/1071751669.db2.gz ROXLSXLBOXDGFV-ACJLOTCBSA-N 1 0 430.527 -0.633 20 0 IBADRO COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504599235 1071751632 /nfs/dbraw/zinc/75/16/32/1071751632.db2.gz ROXLSXLBOXDGFV-FZKQIMNGSA-N 1 0 430.527 -0.633 20 0 IBADRO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504599236 1071752153 /nfs/dbraw/zinc/75/21/53/1071752153.db2.gz ROXLSXLBOXDGFV-SCLBCKFNSA-N 1 0 430.527 -0.633 20 0 IBADRO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504599237 1071752146 /nfs/dbraw/zinc/75/21/46/1071752146.db2.gz ROXLSXLBOXDGFV-UGSOOPFHSA-N 1 0 430.527 -0.633 20 0 IBADRO CCOc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000504607126 1071754668 /nfs/dbraw/zinc/75/46/68/1071754668.db2.gz OIUWBOXFCJYSDL-GOSISDBHSA-N 1 0 430.527 -0.297 20 0 IBADRO CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000504607128 1071754699 /nfs/dbraw/zinc/75/46/99/1071754699.db2.gz OIUWBOXFCJYSDL-SFHVURJKSA-N 1 0 430.527 -0.297 20 0 IBADRO COCC[N@H+](C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000504618682 1071754223 /nfs/dbraw/zinc/75/42/23/1071754223.db2.gz BIOYSMVWPFEHOA-UHFFFAOYSA-N 1 0 431.515 -0.637 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)n1 ZINC000504722462 1073307716 /nfs/dbraw/zinc/30/77/16/1073307716.db2.gz IGUNBRGUZUGWPB-UHFFFAOYSA-N 1 0 446.533 -0.014 20 0 IBADRO 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C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000511449999 1071302147 /nfs/dbraw/zinc/30/21/47/1071302147.db2.gz QFNLESIUQZPBAY-UHFFFAOYSA-N 1 0 425.511 -0.798 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000511455088 1071302661 /nfs/dbraw/zinc/30/26/61/1071302661.db2.gz RAHKGSHJTOBBHJ-GOSISDBHSA-N 1 0 438.550 -0.308 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000511455089 1071302690 /nfs/dbraw/zinc/30/26/90/1071302690.db2.gz RAHKGSHJTOBBHJ-SFHVURJKSA-N 1 0 438.550 -0.308 20 0 IBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000511467873 1071304714 /nfs/dbraw/zinc/30/47/14/1071304714.db2.gz ADYQMLJODOLKOZ-UHFFFAOYSA-N 1 0 427.509 -0.239 20 0 IBADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@H](C)O1 ZINC000511469083 1071304536 /nfs/dbraw/zinc/30/45/36/1071304536.db2.gz LMUMWUDECCGPMF-BETUJISGSA-N 1 0 432.481 -0.814 20 0 IBADRO 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CN1CCN(S(=O)(=O)c2ccc(NCCCC[NH+]3CCN(CCO)CC3)nc2)CC1 ZINC000511692223 1071399551 /nfs/dbraw/zinc/39/95/51/1071399551.db2.gz PXMQRNSSPRBMMW-UHFFFAOYSA-N 1 0 440.614 -0.180 20 0 IBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC000511720160 1071402998 /nfs/dbraw/zinc/40/29/98/1071402998.db2.gz PJZDCPPMPIPNPL-UHFFFAOYSA-N 1 0 441.554 -0.326 20 0 IBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000511720258 1071402903 /nfs/dbraw/zinc/40/29/03/1071402903.db2.gz COZGXUSKKPQDKA-HDICACEKSA-N 1 0 445.630 -0.053 20 0 IBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000511720263 1071403002 /nfs/dbraw/zinc/40/30/02/1071403002.db2.gz COZGXUSKKPQDKA-QZTJIDSGSA-N 1 0 445.630 -0.053 20 0 IBADRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000511720265 1071402933 /nfs/dbraw/zinc/40/29/33/1071402933.db2.gz COZGXUSKKPQDKA-ROUUACIJSA-N 1 0 445.630 -0.053 20 0 IBADRO 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O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000511966586 1071439917 /nfs/dbraw/zinc/43/99/17/1071439917.db2.gz YNVDLKWXEQHBKB-ABHNRTSZSA-N 1 0 442.582 -0.228 20 0 IBADRO O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000511966587 1071440056 /nfs/dbraw/zinc/44/00/56/1071440056.db2.gz YNVDLKWXEQHBKB-DAWZGUTISA-N 1 0 442.582 -0.228 20 0 IBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511973138 1071442971 /nfs/dbraw/zinc/44/29/71/1071442971.db2.gz OEMYFCLJVVZBTL-LMDPOFIKSA-N 1 0 435.569 -0.489 20 0 IBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511973139 1071443013 /nfs/dbraw/zinc/44/30/13/1071443013.db2.gz OEMYFCLJVVZBTL-VIQWUECVSA-N 1 0 435.569 -0.489 20 0 IBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511973146 1071443021 /nfs/dbraw/zinc/44/30/21/1071443021.db2.gz OGPDYDWFNNKDTN-LMDPOFIKSA-N 1 0 437.585 -0.195 20 0 IBADRO 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ZINC000518060440 1072024039 /nfs/dbraw/zinc/02/40/39/1072024039.db2.gz MXIPNVLDMYUUCX-QFBILLFUSA-N 1 0 429.521 -0.235 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@H](C(=O)NC)Oc4ccccc43)C2)CC1 ZINC000518060441 1072023952 /nfs/dbraw/zinc/02/39/52/1072023952.db2.gz MXIPNVLDMYUUCX-VQIMIIECSA-N 1 0 429.521 -0.235 20 0 IBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000518061733 1072024592 /nfs/dbraw/zinc/02/45/92/1072024592.db2.gz HCWCKDBEXDOJCL-HNNXBMFYSA-N 1 0 426.539 -0.122 20 0 IBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000518061735 1072024419 /nfs/dbraw/zinc/02/44/19/1072024419.db2.gz HCWCKDBEXDOJCL-OAHLLOKOSA-N 1 0 426.539 -0.122 20 0 IBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000518078350 1072026196 /nfs/dbraw/zinc/02/61/96/1072026196.db2.gz GHMWLUXSOFRJQN-INIZCTEOSA-N 1 0 440.570 -0.117 20 0 IBADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000518078351 1072026083 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Cn1cnc(S(=O)(=O)NCC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000531534130 1072844168 /nfs/dbraw/zinc/84/41/68/1072844168.db2.gz RGJWASCZMZZHOT-QGZVFWFLSA-N 1 0 448.549 -0.288 20 0 IBADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000531603507 1072845824 /nfs/dbraw/zinc/84/58/24/1072845824.db2.gz KKBNBRLWQQWWMR-UHFFFAOYSA-N 1 0 439.582 -0.190 20 0 IBADRO CCS(=O)(=O)N1CCN(c2cc(N3CCN(S(=O)(=O)CC)CC3)[nH+]c(C)n2)CC1 ZINC000531679869 1072846723 /nfs/dbraw/zinc/84/67/23/1072846723.db2.gz HICHQEOFWOIUJA-UHFFFAOYSA-N 1 0 446.599 -0.272 20 0 IBADRO Cc1c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cccc1-n1cnnn1 ZINC000531722251 1072847213 /nfs/dbraw/zinc/84/72/13/1072847213.db2.gz NSXVLSNMXQVVMQ-KRWDZBQOSA-N 1 0 426.481 -0.326 20 0 IBADRO Cc1c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cccc1-n1cnnn1 ZINC000531722252 1072847253 /nfs/dbraw/zinc/84/72/53/1072847253.db2.gz NSXVLSNMXQVVMQ-QGZVFWFLSA-N 1 0 426.481 -0.326 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000531730255 1072847433 /nfs/dbraw/zinc/84/74/33/1072847433.db2.gz HEUAFKBUQIPLAI-GOSISDBHSA-N 1 0 436.534 -0.240 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000531730263 1072847338 /nfs/dbraw/zinc/84/73/38/1072847338.db2.gz HEUAFKBUQIPLAI-SFHVURJKSA-N 1 0 436.534 -0.240 20 0 IBADRO Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)C2)cn1 ZINC000531762976 1072848042 /nfs/dbraw/zinc/84/80/42/1072848042.db2.gz XMQUHFIKAWOEEC-HNNXBMFYSA-N 1 0 430.513 -0.676 20 0 IBADRO Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)C2)cn1 ZINC000531762977 1072848054 /nfs/dbraw/zinc/84/80/54/1072848054.db2.gz XMQUHFIKAWOEEC-OAHLLOKOSA-N 1 0 430.513 -0.676 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)cn1 ZINC000531762988 1072848018 /nfs/dbraw/zinc/84/80/18/1072848018.db2.gz AXTWTIWYKXIQJE-AWEZNQCLSA-N 1 0 446.487 -0.571 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)cn1 ZINC000531762989 1072847918 /nfs/dbraw/zinc/84/79/18/1072847918.db2.gz AXTWTIWYKXIQJE-CQSZACIVSA-N 1 0 446.487 -0.571 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cn1 ZINC000531763808 1072847997 /nfs/dbraw/zinc/84/79/97/1072847997.db2.gz KYTLQNYOJNRZBG-GFCCVEGCSA-N 1 0 433.435 -0.748 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cn1 ZINC000531763809 1072847809 /nfs/dbraw/zinc/84/78/09/1072847809.db2.gz KYTLQNYOJNRZBG-LBPRGKRZSA-N 1 0 433.435 -0.748 20 0 IBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000531900617 1072850449 /nfs/dbraw/zinc/85/04/49/1072850449.db2.gz NFWSXJVJYSNKSS-HNNXBMFYSA-N 1 0 425.555 -0.404 20 0 IBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000531900618 1072850255 /nfs/dbraw/zinc/85/02/55/1072850255.db2.gz NFWSXJVJYSNKSS-OAHLLOKOSA-N 1 0 425.555 -0.404 20 0 IBADRO Cc1nc(N2CCCN(S(C)(=O)=O)CC2)cc(N2CCCN(S(C)(=O)=O)CC2)[nH+]1 ZINC000531934911 1072851478 /nfs/dbraw/zinc/85/14/78/1072851478.db2.gz UDYGEGGTKLHAGG-UHFFFAOYSA-N 1 0 446.599 -0.272 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)cn1 ZINC000532020744 1072852579 /nfs/dbraw/zinc/85/25/79/1072852579.db2.gz SLMMKTLQJSJYNA-UHFFFAOYSA-N 1 0 428.493 -0.855 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2ccc3c(c2)OCO3)cn1 ZINC000532021676 1072852641 /nfs/dbraw/zinc/85/26/41/1072852641.db2.gz WTKWMCVFGNZILJ-UHFFFAOYSA-N 1 0 430.465 -0.413 20 0 IBADRO Cn1c(=O)c2cc(C(=O)N(CCC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)cnc2n(C)c1=O ZINC000532080826 1072853369 /nfs/dbraw/zinc/85/33/69/1072853369.db2.gz FEROPPAARYKDSP-AWEZNQCLSA-N 1 0 437.522 -0.787 20 0 IBADRO Cn1c(=O)c2cc(C(=O)N(CCC[NH+](C)C)[C@@H]3CCS(=O)(=O)C3)cnc2n(C)c1=O ZINC000532080827 1072853727 /nfs/dbraw/zinc/85/37/27/1072853727.db2.gz FEROPPAARYKDSP-CQSZACIVSA-N 1 0 437.522 -0.787 20 0 IBADRO Cn1c(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000532080883 1072853827 /nfs/dbraw/zinc/85/38/27/1072853827.db2.gz DFPFSPXIQIVFJR-CYBMUJFWSA-N 1 0 439.538 -0.843 20 0 IBADRO Cn1c(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000532080885 1072853317 /nfs/dbraw/zinc/85/33/17/1072853317.db2.gz DFPFSPXIQIVFJR-ZDUSSCGKSA-N 1 0 439.538 -0.843 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000532089081 1072853490 /nfs/dbraw/zinc/85/34/90/1072853490.db2.gz XURZFFYUPYCGFI-KRWDZBQOSA-N 1 0 431.603 -0.553 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000532089084 1072291957 /nfs/dbraw/zinc/29/19/57/1072291957.db2.gz XURZFFYUPYCGFI-QGZVFWFLSA-N 1 0 431.603 -0.553 20 0 IBADRO CC(C)[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)C2)CC1 ZINC000532094498 1072853610 /nfs/dbraw/zinc/85/36/10/1072853610.db2.gz ZCWYOWGKGPODRT-AWEZNQCLSA-N 1 0 436.538 -0.177 20 0 IBADRO CC(C)[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)C2)CC1 ZINC000532094499 1072853404 /nfs/dbraw/zinc/85/34/04/1072853404.db2.gz ZCWYOWGKGPODRT-CQSZACIVSA-N 1 0 436.538 -0.177 20 0 IBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000532142968 1072855731 /nfs/dbraw/zinc/85/57/31/1072855731.db2.gz ICUMOTDHFWZHJR-UHFFFAOYSA-N 1 0 438.573 -0.885 20 0 IBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)cn1C ZINC000532213628 1072856595 /nfs/dbraw/zinc/85/65/95/1072856595.db2.gz MMFTUXNTGVOGEB-UHFFFAOYSA-N 1 0 441.602 -0.228 20 0 IBADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1-n1cnnn1 ZINC000532233100 1072857162 /nfs/dbraw/zinc/85/71/62/1072857162.db2.gz LFCKFNZKDDUYCY-KRWDZBQOSA-N 1 0 426.481 -0.326 20 0 IBADRO Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1-n1cnnn1 ZINC000532233101 1072857067 /nfs/dbraw/zinc/85/70/67/1072857067.db2.gz LFCKFNZKDDUYCY-QGZVFWFLSA-N 1 0 426.481 -0.326 20 0 IBADRO CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000532275750 1072857621 /nfs/dbraw/zinc/85/76/21/1072857621.db2.gz XTQPPXPTIZAHMD-UHFFFAOYSA-N 1 0 444.492 -0.071 20 0 IBADRO Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000532298782 1072858083 /nfs/dbraw/zinc/85/80/83/1072858083.db2.gz NWTWXOKSWDZLCQ-UHFFFAOYSA-N 1 0 448.549 -0.160 20 0 IBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000532348423 1072859471 /nfs/dbraw/zinc/85/94/71/1072859471.db2.gz VBSZXCXQCGOFGR-INIZCTEOSA-N 1 0 431.541 -0.549 20 0 IBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000532348424 1072859609 /nfs/dbraw/zinc/85/96/09/1072859609.db2.gz VBSZXCXQCGOFGR-MRXNPFEDSA-N 1 0 431.541 -0.549 20 0 IBADRO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000532352072 1072859701 /nfs/dbraw/zinc/85/97/01/1072859701.db2.gz ICLOVNNXCLIXRK-UHFFFAOYSA-N 1 0 436.534 -0.238 20 0 IBADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cnc(N4CCN(C)CC4)nc3)CC2)cn1 ZINC000532393563 1072870921 /nfs/dbraw/zinc/87/09/21/1072870921.db2.gz RDUGURLQXYBYLH-UHFFFAOYSA-N 1 0 434.570 -0.095 20 0 IBADRO CN1CCN(c2ncc(C[NH2+]C3CCN(S(=O)(=O)N4CCOCC4)CC3)cn2)CC1 ZINC000532393672 1072871074 /nfs/dbraw/zinc/87/10/74/1072871074.db2.gz BXNBNCMRJCQEGH-UHFFFAOYSA-N 1 0 439.586 -0.641 20 0 IBADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000532519883 1072879971 /nfs/dbraw/zinc/87/99/71/1072879971.db2.gz VHTOAPFOCOJOPS-GOSISDBHSA-N 1 0 438.550 -0.294 20 0 IBADRO NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000532519884 1072879701 /nfs/dbraw/zinc/87/97/01/1072879701.db2.gz VHTOAPFOCOJOPS-SFHVURJKSA-N 1 0 438.550 -0.294 20 0 IBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c2ccccc2O1 ZINC000532520181 1072879904 /nfs/dbraw/zinc/87/99/04/1072879904.db2.gz WBEOURYRZPXKKP-AEFFLSMTSA-N 1 0 444.488 -0.281 20 0 IBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c2ccccc2O1 ZINC000532520182 1072879794 /nfs/dbraw/zinc/87/97/94/1072879794.db2.gz WBEOURYRZPXKKP-FUHWJXTLSA-N 1 0 444.488 -0.281 20 0 IBADRO COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c2ccccc2O1 ZINC000532520183 1072879733 /nfs/dbraw/zinc/87/97/33/1072879733.db2.gz WBEOURYRZPXKKP-SJLPKXTDSA-N 1 0 444.488 -0.281 20 0 IBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c2ccccc2O1 ZINC000532520184 1072880025 /nfs/dbraw/zinc/88/00/25/1072880025.db2.gz WBEOURYRZPXKKP-WMZOPIPTSA-N 1 0 444.488 -0.281 20 0 IBADRO Cc1nc(C[C@H]2CCCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)no1 ZINC000532539683 1072879671 /nfs/dbraw/zinc/87/96/71/1072879671.db2.gz LMONHOSZMPUXGN-GOSISDBHSA-N 1 0 434.541 -0.364 20 0 IBADRO Cc1nc(C[C@@H]2CCCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)no1 ZINC000532539684 1072879854 /nfs/dbraw/zinc/87/98/54/1072879854.db2.gz LMONHOSZMPUXGN-SFHVURJKSA-N 1 0 434.541 -0.364 20 0 IBADRO O=C(CN(CCO)CCO)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000532540572 1072879821 /nfs/dbraw/zinc/87/98/21/1072879821.db2.gz SMQHUNBRQJFROZ-UHFFFAOYSA-N 1 0 425.551 -0.315 20 0 IBADRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000532551949 1072880313 /nfs/dbraw/zinc/88/03/13/1072880313.db2.gz KEICWOXHQFFMKA-KRWDZBQOSA-N 1 0 438.550 -0.218 20 0 IBADRO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000532551950 1072880572 /nfs/dbraw/zinc/88/05/72/1072880572.db2.gz KEICWOXHQFFMKA-QGZVFWFLSA-N 1 0 438.550 -0.218 20 0 IBADRO CCCCNC(=O)C1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000532556976 1072881575 /nfs/dbraw/zinc/88/15/75/1072881575.db2.gz RGLCESPUCUWRSS-UHFFFAOYSA-N 1 0 437.585 -0.382 20 0 IBADRO O=C(C[NH2+]C1(CO)CCOCC1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000532558729 1072881062 /nfs/dbraw/zinc/88/10/62/1072881062.db2.gz KCBRAWHQLVZYFO-UHFFFAOYSA-N 1 0 433.477 -0.071 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)n1 ZINC000532598285 1073307779 /nfs/dbraw/zinc/30/77/79/1073307779.db2.gz JOLHEPZEIZBMIO-UHFFFAOYSA-N 1 0 433.557 -0.024 20 0 IBADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)c1 ZINC000532598396 1072883323 /nfs/dbraw/zinc/88/33/23/1072883323.db2.gz VGDDANIGKGOBOZ-UHFFFAOYSA-N 1 0 443.508 -0.094 20 0 IBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000532599806 1072883840 /nfs/dbraw/zinc/88/38/40/1072883840.db2.gz MJGAOTLLVUCLBC-IBGZPJMESA-N 1 0 447.584 -0.218 20 0 IBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000532599807 1072883595 /nfs/dbraw/zinc/88/35/95/1072883595.db2.gz MJGAOTLLVUCLBC-LJQANCHMSA-N 1 0 447.584 -0.218 20 0 IBADRO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000532610326 1072884916 /nfs/dbraw/zinc/88/49/16/1072884916.db2.gz JKUMWBFVKIMCBQ-UHFFFAOYSA-N 1 0 434.541 -0.275 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)cn1 ZINC000532636024 1072885315 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C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000552777690 1073227678 /nfs/dbraw/zinc/22/76/78/1073227678.db2.gz FQYCAULJECYTLI-QGZVFWFLSA-N 1 0 438.550 -0.370 20 0 IBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)c1 ZINC000552777699 1073227773 /nfs/dbraw/zinc/22/77/73/1073227773.db2.gz FVPDGEAPODCIAE-UHFFFAOYSA-N 1 0 441.536 -0.338 20 0 IBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)c1 ZINC000552778221 1073227751 /nfs/dbraw/zinc/22/77/51/1073227751.db2.gz PORKQGYVFMVVOR-KRWDZBQOSA-N 1 0 429.521 -0.088 20 0 IBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)c1 ZINC000552778222 1073227714 /nfs/dbraw/zinc/22/77/14/1073227714.db2.gz PORKQGYVFMVVOR-QGZVFWFLSA-N 1 0 429.521 -0.088 20 0 IBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000552782898 1073228233 /nfs/dbraw/zinc/22/82/33/1073228233.db2.gz ODGVBBRKKJGYCH-LMDPOFIKSA-N 1 0 437.585 -0.386 20 0 IBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000552782899 1073228275 /nfs/dbraw/zinc/22/82/75/1073228275.db2.gz ODGVBBRKKJGYCH-VIQWUECVSA-N 1 0 437.585 -0.386 20 0 IBADRO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)n(C)n1 ZINC000552801442 1073229375 /nfs/dbraw/zinc/22/93/75/1073229375.db2.gz GPPVIZMGHWYBGB-MSOLQXFVSA-N 1 0 447.584 -0.128 20 0 IBADRO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)n(C)n1 ZINC000552801443 1073229416 /nfs/dbraw/zinc/22/94/16/1073229416.db2.gz GPPVIZMGHWYBGB-QZTJIDSGSA-N 1 0 447.584 -0.128 20 0 IBADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)n(C)n1 ZINC000552801444 1073229541 /nfs/dbraw/zinc/22/95/41/1073229541.db2.gz GPPVIZMGHWYBGB-ROUUACIJSA-N 1 0 447.584 -0.128 20 0 IBADRO Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)n(C)n1 ZINC000552801445 1073229552 /nfs/dbraw/zinc/22/95/52/1073229552.db2.gz GPPVIZMGHWYBGB-ZWKOTPCHSA-N 1 0 447.584 -0.128 20 0 IBADRO Cc1cc(N2CCC(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)n[nH]1 ZINC000552802112 1073229819 /nfs/dbraw/zinc/22/98/19/1073229819.db2.gz YOPKNKVGWPMLKD-KRWDZBQOSA-N 1 0 433.557 -0.138 20 0 IBADRO Cc1cc(N2CCC(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)n[nH]1 ZINC000552802113 1073230000 /nfs/dbraw/zinc/23/00/00/1073230000.db2.gz YOPKNKVGWPMLKD-QGZVFWFLSA-N 1 0 433.557 -0.138 20 0 IBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000552802560 1073230051 /nfs/dbraw/zinc/23/00/51/1073230051.db2.gz ABEULVIAAOTDRK-IBGZPJMESA-N 1 0 430.553 -0.215 20 0 IBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000552802561 1073229899 /nfs/dbraw/zinc/22/98/99/1073229899.db2.gz ABEULVIAAOTDRK-LJQANCHMSA-N 1 0 430.553 -0.215 20 0 IBADRO CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1c1ncc[nH]1 ZINC000552802883 1073229951 /nfs/dbraw/zinc/22/99/51/1073229951.db2.gz IDKVQXUGHQHPQH-DLBZAZTESA-N 1 0 433.557 -0.326 20 0 IBADRO CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1c1ncc[nH]1 ZINC000552802884 1073230611 /nfs/dbraw/zinc/23/06/11/1073230611.db2.gz IDKVQXUGHQHPQH-IAGOWNOFSA-N 1 0 433.557 -0.326 20 0 IBADRO CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1c1ncc[nH]1 ZINC000552802885 1073230559 /nfs/dbraw/zinc/23/05/59/1073230559.db2.gz IDKVQXUGHQHPQH-IRXDYDNUSA-N 1 0 433.557 -0.326 20 0 IBADRO CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1c1ncc[nH]1 ZINC000552802886 1073230405 /nfs/dbraw/zinc/23/04/05/1073230405.db2.gz IDKVQXUGHQHPQH-SJORKVTESA-N 1 0 433.557 -0.326 20 0 IBADRO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000552803120 1073230019 /nfs/dbraw/zinc/23/00/19/1073230019.db2.gz NGYFNFKMGFPMMP-DOTOQJQBSA-N 1 0 442.524 -0.102 20 0 IBADRO C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000552803121 1073229924 /nfs/dbraw/zinc/22/99/24/1073229924.db2.gz NGYFNFKMGFPMMP-NVXWUHKLSA-N 1 0 442.524 -0.102 20 0 IBADRO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000552803122 1073229865 /nfs/dbraw/zinc/22/98/65/1073229865.db2.gz NGYFNFKMGFPMMP-RDJZCZTQSA-N 1 0 442.524 -0.102 20 0 IBADRO C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000552803123 1073229968 /nfs/dbraw/zinc/22/99/68/1073229968.db2.gz NGYFNFKMGFPMMP-WBVHZDCISA-N 1 0 442.524 -0.102 20 0 IBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803812 1073230465 /nfs/dbraw/zinc/23/04/65/1073230465.db2.gz WKKKEZYYCIJGBL-FGTMMUONSA-N 1 0 425.574 -0.387 20 0 IBADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803813 1073230350 /nfs/dbraw/zinc/23/03/50/1073230350.db2.gz WKKKEZYYCIJGBL-KSZLIROESA-N 1 0 425.574 -0.387 20 0 IBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000552804489 1073228279 /nfs/dbraw/zinc/22/82/79/1073228279.db2.gz GQVPJBKZHUGKTL-KBPBESRZSA-N 1 0 449.474 -0.285 20 0 IBADRO 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CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)CC2)CC1 ZINC000552861968 1073232680 /nfs/dbraw/zinc/23/26/80/1073232680.db2.gz XCYCKADXIQYRSL-UHFFFAOYSA-N 1 0 433.532 -0.061 20 0 IBADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)CC1 ZINC000552862816 1073232912 /nfs/dbraw/zinc/23/29/12/1073232912.db2.gz FVRXIIZADMSAIZ-UHFFFAOYSA-N 1 0 434.585 -0.916 20 0 IBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000552863223 1073232716 /nfs/dbraw/zinc/23/27/16/1073232716.db2.gz PIHPEXNIFXUJPG-UHFFFAOYSA-N 1 0 436.601 -0.670 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000552863590 1073232795 /nfs/dbraw/zinc/23/27/95/1073232795.db2.gz ZRYHHMSNILXHRI-IBGZPJMESA-N 1 0 443.548 -0.084 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000552863591 1073232771 /nfs/dbraw/zinc/23/27/71/1073232771.db2.gz ZRYHHMSNILXHRI-LJQANCHMSA-N 1 0 443.548 -0.084 20 0 IBADRO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000552864322 1073232825 /nfs/dbraw/zinc/23/28/25/1073232825.db2.gz CJZKLPXAMGMIOX-KRWDZBQOSA-N 1 0 448.612 -0.528 20 0 IBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000552864323 1073233235 /nfs/dbraw/zinc/23/32/35/1073233235.db2.gz CJZKLPXAMGMIOX-QGZVFWFLSA-N 1 0 448.612 -0.528 20 0 IBADRO COc1cc(N2CCN(C(=O)C(=O)NC3CC[NH+](C4CCN(C)CC4)CC3)CC2)ncn1 ZINC000552864771 1073232753 /nfs/dbraw/zinc/23/27/53/1073232753.db2.gz PJOWGVUPOMGBLI-UHFFFAOYSA-N 1 0 445.568 -0.191 20 0 IBADRO CCN1CCC([NH+]2CCC(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)CC1 ZINC000552867844 1073233392 /nfs/dbraw/zinc/23/33/92/1073233392.db2.gz MIUATKIVAJRRHA-UHFFFAOYSA-N 1 0 449.596 -0.288 20 0 IBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CCO1 ZINC000552878575 1073234879 /nfs/dbraw/zinc/23/48/79/1073234879.db2.gz DXNXROWPOVDBJS-KBXCAEBGSA-N 1 0 435.500 -0.272 20 0 IBADRO 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O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000554775257 1073341249 /nfs/dbraw/zinc/34/12/49/1073341249.db2.gz HDGVONDRFRMHAM-UHFFFAOYSA-N 1 0 449.533 -0.055 20 0 IBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000554810727 1073342697 /nfs/dbraw/zinc/34/26/97/1073342697.db2.gz XHERHLUGPVLVPH-AEFFLSMTSA-N 1 0 443.552 -0.439 20 0 IBADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000554810728 1073342729 /nfs/dbraw/zinc/34/27/29/1073342729.db2.gz XHERHLUGPVLVPH-FUHWJXTLSA-N 1 0 443.552 -0.439 20 0 IBADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000554810729 1073342572 /nfs/dbraw/zinc/34/25/72/1073342572.db2.gz XHERHLUGPVLVPH-SJLPKXTDSA-N 1 0 443.552 -0.439 20 0 IBADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000554810730 1073342432 /nfs/dbraw/zinc/34/24/32/1073342432.db2.gz XHERHLUGPVLVPH-WMZOPIPTSA-N 1 0 443.552 -0.439 20 0 IBADRO 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COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CCC2 ZINC000554873631 1073344982 /nfs/dbraw/zinc/34/49/82/1073344982.db2.gz OFNGBNFRJYIPNJ-GOSISDBHSA-N 1 0 446.552 -0.210 20 0 IBADRO COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]3CCCC3)CC1)CCC2 ZINC000554873632 1073344959 /nfs/dbraw/zinc/34/49/59/1073344959.db2.gz OFNGBNFRJYIPNJ-SFHVURJKSA-N 1 0 446.552 -0.210 20 0 IBADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000554889607 1073345869 /nfs/dbraw/zinc/34/58/69/1073345869.db2.gz PZOVJTVIQXTPFK-UHFFFAOYSA-N 1 0 445.564 -0.590 20 0 IBADRO CCOC1CC(CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)(N2CCOCC2)C1 ZINC000554891530 1073346215 /nfs/dbraw/zinc/34/62/15/1073346215.db2.gz BENLUPUWORINSW-BXRCABCMSA-N 1 0 440.585 -0.012 20 0 IBADRO CCOC1CC(CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)(N2CCOCC2)C1 ZINC000554891531 1073346243 /nfs/dbraw/zinc/34/62/43/1073346243.db2.gz BENLUPUWORINSW-HQHQBECKSA-N 1 0 440.585 -0.012 20 0 IBADRO CCOC1CC(CNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)(N2CCOCC2)C1 ZINC000554891532 1073346094 /nfs/dbraw/zinc/34/60/94/1073346094.db2.gz BENLUPUWORINSW-JREAUHRESA-N 1 0 440.585 -0.012 20 0 IBADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 ZINC000554904679 1073346488 /nfs/dbraw/zinc/34/64/88/1073346488.db2.gz FBJXGAITDIIUBR-BJZITVGISA-N 1 0 432.525 -0.432 20 0 IBADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000554968099 1073349343 /nfs/dbraw/zinc/34/93/43/1073349343.db2.gz JSSCNODJIVHNSB-HOTGVXAUSA-N 1 0 426.605 -0.370 20 0 IBADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000554968100 1073349326 /nfs/dbraw/zinc/34/93/26/1073349326.db2.gz JSSCNODJIVHNSB-HZPDHXFCSA-N 1 0 426.605 -0.370 20 0 IBADRO CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000554968101 1073349443 /nfs/dbraw/zinc/34/94/43/1073349443.db2.gz JSSCNODJIVHNSB-IYBDPMFKSA-N 1 0 426.605 -0.370 20 0 IBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000555047137 1073352102 /nfs/dbraw/zinc/35/21/02/1073352102.db2.gz RASJCLVMCSXNPM-UHFFFAOYSA-N 1 0 441.554 -0.094 20 0 IBADRO CSC1(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[NH+](C)CC1 ZINC000555163011 1073356840 /nfs/dbraw/zinc/35/68/40/1073356840.db2.gz FUXAEFQYBBBQDN-UHFFFAOYSA-N 1 0 435.616 -0.282 20 0 IBADRO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000555288948 1073333771 /nfs/dbraw/zinc/33/37/71/1073333771.db2.gz HSWGZKIZYLKZAT-GOSISDBHSA-N 1 0 434.541 -0.275 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)n1 ZINC000555304754 1073308168 /nfs/dbraw/zinc/30/81/68/1073308168.db2.gz RMKCLMFLAHIUPY-INIZCTEOSA-N 1 0 428.493 0.179 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)n1 ZINC000555304755 1073307789 /nfs/dbraw/zinc/30/77/89/1073307789.db2.gz RMKCLMFLAHIUPY-MRXNPFEDSA-N 1 0 428.493 0.179 20 0 IBADRO O=C(CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CC[NH2+]CC1 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/nfs/dbraw/zinc/37/00/58/1073370058.db2.gz OZTGSNKTCGZVEE-RDJZCZTQSA-N 1 0 426.558 -0.272 20 0 IBADRO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000555590010 1073370041 /nfs/dbraw/zinc/37/00/41/1073370041.db2.gz OZTGSNKTCGZVEE-WBVHZDCISA-N 1 0 426.558 -0.272 20 0 IBADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1 ZINC000555613346 1073371903 /nfs/dbraw/zinc/37/19/03/1073371903.db2.gz WBLIZXHXHKIVGF-UHFFFAOYSA-N 1 0 439.601 -0.233 20 0 IBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)no1 ZINC000555613413 1073328570 /nfs/dbraw/zinc/32/85/70/1073328570.db2.gz DBARJFBKICMEOD-UHFFFAOYSA-N 1 0 434.541 0.491 20 0 IBADRO O=C(NCCCN1CCCC1=O)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000555621592 1073372614 /nfs/dbraw/zinc/37/26/14/1073372614.db2.gz JCQOWEORMPMYFF-UHFFFAOYSA-N 1 0 435.569 -0.044 20 0 IBADRO O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000555625788 1073371895 /nfs/dbraw/zinc/37/18/95/1073371895.db2.gz AEBOXNQPUZVCBR-UHFFFAOYSA-N 1 0 449.533 -0.009 20 0 IBADRO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000555643470 1073373472 /nfs/dbraw/zinc/37/34/72/1073373472.db2.gz PAZLYCKBYNSLJU-GOSISDBHSA-N 1 0 437.585 -0.241 20 0 IBADRO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000555643471 1073373343 /nfs/dbraw/zinc/37/33/43/1073373343.db2.gz PAZLYCKBYNSLJU-SFHVURJKSA-N 1 0 437.585 -0.241 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000555648127 1073373415 /nfs/dbraw/zinc/37/34/15/1073373415.db2.gz INUAAHMUAGAAKX-IBGZPJMESA-N 1 0 449.596 -0.097 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000555648129 1073373619 /nfs/dbraw/zinc/37/36/19/1073373619.db2.gz INUAAHMUAGAAKX-LJQANCHMSA-N 1 0 449.596 -0.097 20 0 IBADRO CC[NH+](CC)CCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000555648601 1073373331 /nfs/dbraw/zinc/37/33/31/1073373331.db2.gz XBNWJEPJHWAEIH-UHFFFAOYSA-N 1 0 426.539 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CC(C)[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000555667445 1073374897 /nfs/dbraw/zinc/37/48/97/1073374897.db2.gz ICBCXYXKDFFUTR-UHFFFAOYSA-N 1 0 431.541 -0.380 20 0 IBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000555674816 1073374376 /nfs/dbraw/zinc/37/43/76/1073374376.db2.gz UKELEEXTZXLMAS-KRWDZBQOSA-N 1 0 425.574 -0.339 20 0 IBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000555674817 1073374603 /nfs/dbraw/zinc/37/46/03/1073374603.db2.gz UKELEEXTZXLMAS-QGZVFWFLSA-N 1 0 425.574 -0.339 20 0 IBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)c1cccs1 ZINC000555676644 1073374874 /nfs/dbraw/zinc/37/48/74/1073374874.db2.gz BSWJLTRCOPNXFY-CYBMUJFWSA-N 1 0 429.524 -0.309 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1)c1cccs1 ZINC000555676645 1073374767 /nfs/dbraw/zinc/37/47/67/1073374767.db2.gz BSWJLTRCOPNXFY-ZDUSSCGKSA-N 1 0 429.524 -0.309 20 0 IBADRO 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C[NH+](C)[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)c1cccs1 ZINC000555681512 1073375619 /nfs/dbraw/zinc/37/56/19/1073375619.db2.gz LKMJHCKXHJKZQT-CYBMUJFWSA-N 1 0 434.609 -0.038 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)c1cccs1 ZINC000555681513 1073375683 /nfs/dbraw/zinc/37/56/83/1073375683.db2.gz LKMJHCKXHJKZQT-ZDUSSCGKSA-N 1 0 434.609 -0.038 20 0 IBADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000555690453 1073375224 /nfs/dbraw/zinc/37/52/24/1073375224.db2.gz IPNJYVZGXZBIHJ-HNNXBMFYSA-N 1 0 446.537 -0.641 20 0 IBADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000555690458 1073375298 /nfs/dbraw/zinc/37/52/98/1073375298.db2.gz IPNJYVZGXZBIHJ-OAHLLOKOSA-N 1 0 446.537 -0.641 20 0 IBADRO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000555692676 1073376177 /nfs/dbraw/zinc/37/61/77/1073376177.db2.gz BDUNXPJTQAFRFT-DLBZAZTESA-N 1 0 426.539 -0.046 20 0 IBADRO 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O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC1(N2CCOCC2)CC1 ZINC000555694459 1073376006 /nfs/dbraw/zinc/37/60/06/1073376006.db2.gz WLLBDBLPEHHFJF-UHFFFAOYSA-N 1 0 429.565 -0.099 20 0 IBADRO CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000555695752 1073376240 /nfs/dbraw/zinc/37/62/40/1073376240.db2.gz IOZZHQDQYNFTTF-IBGZPJMESA-N 1 0 436.578 -0.044 20 0 IBADRO CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000555695753 1073376105 /nfs/dbraw/zinc/37/61/05/1073376105.db2.gz IOZZHQDQYNFTTF-LJQANCHMSA-N 1 0 436.578 -0.044 20 0 IBADRO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000555696316 1073376053 /nfs/dbraw/zinc/37/60/53/1073376053.db2.gz OVFAXOOKWMGNQY-IBGZPJMESA-N 1 0 430.553 -0.173 20 0 IBADRO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000555696317 1073375956 /nfs/dbraw/zinc/37/59/56/1073375956.db2.gz OVFAXOOKWMGNQY-LJQANCHMSA-N 1 0 430.553 -0.173 20 0 IBADRO 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CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000556059681 1072812725 /nfs/dbraw/zinc/81/27/25/1072812725.db2.gz VQVHNJAKIWTCEV-UHFFFAOYSA-N 1 0 430.553 -0.169 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1 ZINC000556070401 1072813945 /nfs/dbraw/zinc/81/39/45/1072813945.db2.gz IYIRMLQRLIVYDM-KRWDZBQOSA-N 1 0 433.484 -0.506 20 0 IBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1 ZINC000556070418 1072813845 /nfs/dbraw/zinc/81/38/45/1072813845.db2.gz IYIRMLQRLIVYDM-QGZVFWFLSA-N 1 0 433.484 -0.506 20 0 IBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](CNC(N)=O)C3)cn2)CC1 ZINC000556076027 1072814964 /nfs/dbraw/zinc/81/49/64/1072814964.db2.gz LRYMWMFKXOJVEI-KRWDZBQOSA-N 1 0 431.541 -0.253 20 0 IBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](CNC(N)=O)C3)cn2)CC1 ZINC000556076028 1072814982 /nfs/dbraw/zinc/81/49/82/1072814982.db2.gz LRYMWMFKXOJVEI-QGZVFWFLSA-N 1 0 431.541 -0.253 20 0 IBADRO 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O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000556108464 1072820458 /nfs/dbraw/zinc/82/04/58/1072820458.db2.gz SCMWGYVKWRGDRM-SFHVURJKSA-N 1 0 440.508 -0.703 20 0 IBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556110671 1072821159 /nfs/dbraw/zinc/82/11/59/1072821159.db2.gz OFKOOSATXQICMO-GOSISDBHSA-N 1 0 431.537 -0.180 20 0 IBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556110676 1072821083 /nfs/dbraw/zinc/82/10/83/1072821083.db2.gz OFKOOSATXQICMO-SFHVURJKSA-N 1 0 431.537 -0.180 20 0 IBADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000556112363 1072821606 /nfs/dbraw/zinc/82/16/06/1072821606.db2.gz GPKGYPDIMOHWDK-GOSISDBHSA-N 1 0 445.568 -0.048 20 0 IBADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000556112366 1072821579 /nfs/dbraw/zinc/82/15/79/1072821579.db2.gz GPKGYPDIMOHWDK-SFHVURJKSA-N 1 0 445.568 -0.048 20 0 IBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000556112694 1072821658 /nfs/dbraw/zinc/82/16/58/1072821658.db2.gz ICHJMRXNKAIDAN-MSOLQXFVSA-N 1 0 425.574 -0.338 20 0 IBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000556112695 1072821559 /nfs/dbraw/zinc/82/15/59/1072821559.db2.gz ICHJMRXNKAIDAN-QZTJIDSGSA-N 1 0 425.574 -0.338 20 0 IBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000556112698 1072821818 /nfs/dbraw/zinc/82/18/18/1072821818.db2.gz ICHJMRXNKAIDAN-ROUUACIJSA-N 1 0 425.574 -0.338 20 0 IBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000556112701 1072821720 /nfs/dbraw/zinc/82/17/20/1072821720.db2.gz ICHJMRXNKAIDAN-ZWKOTPCHSA-N 1 0 425.574 -0.338 20 0 IBADRO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000556113408 1072821802 /nfs/dbraw/zinc/82/18/02/1072821802.db2.gz PQYCKLITRQQMDL-UHFFFAOYSA-N 1 0 429.521 -0.472 20 0 IBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000556114370 1072820640 /nfs/dbraw/zinc/82/06/40/1072820640.db2.gz WPVYQSATVCOIQB-OAHLLOKOSA-N 1 0 438.550 -0.077 20 0 IBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000556114886 1072820038 /nfs/dbraw/zinc/82/00/38/1072820038.db2.gz ASTRPNAPGGIGIG-UHFFFAOYSA-N 1 0 438.550 -0.218 20 0 IBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000556114976 1072819967 /nfs/dbraw/zinc/81/99/67/1072819967.db2.gz NUJOJTYOKUVYMY-GASCZTMLSA-N 1 0 426.539 -0.174 20 0 IBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000556114981 1072819956 /nfs/dbraw/zinc/81/99/56/1072819956.db2.gz NUJOJTYOKUVYMY-GJZGRUSLSA-N 1 0 426.539 -0.174 20 0 IBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000556114982 1072820016 /nfs/dbraw/zinc/82/00/16/1072820016.db2.gz NUJOJTYOKUVYMY-HUUCEWRRSA-N 1 0 426.539 -0.174 20 0 IBADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCCNC(=O)c1cnccn1 ZINC000556115037 1072819980 /nfs/dbraw/zinc/81/99/80/1072819980.db2.gz CMCIRJFPUMWQPT-UHFFFAOYSA-N 1 0 439.520 -0.349 20 0 IBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CCO1 ZINC000556115040 1072819728 /nfs/dbraw/zinc/81/97/28/1072819728.db2.gz OSGLUMIYDQSLLT-MOPGFXCFSA-N 1 0 431.537 -0.545 20 0 IBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CCO1 ZINC000556115041 1072819991 /nfs/dbraw/zinc/81/99/91/1072819991.db2.gz OSGLUMIYDQSLLT-OALUTQOASA-N 1 0 431.537 -0.545 20 0 IBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CCO1 ZINC000556115042 1072819677 /nfs/dbraw/zinc/81/96/77/1072819677.db2.gz OSGLUMIYDQSLLT-RBUKOAKNSA-N 1 0 431.537 -0.545 20 0 IBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CCO1 ZINC000556115043 1072819867 /nfs/dbraw/zinc/81/98/67/1072819867.db2.gz OSGLUMIYDQSLLT-RTBURBONSA-N 1 0 431.537 -0.545 20 0 IBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000556115690 1072822342 /nfs/dbraw/zinc/82/23/42/1072822342.db2.gz UCFSLCZALNFTBT-UHFFFAOYSA-N 1 0 426.539 -0.220 20 0 IBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000556115975 1072822153 /nfs/dbraw/zinc/82/21/53/1072822153.db2.gz NQTUKNNHEIDUNJ-UHFFFAOYSA-N 1 0 438.550 -0.218 20 0 IBADRO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000556118378 1072823004 /nfs/dbraw/zinc/82/30/04/1072823004.db2.gz ZLWSQZMIMWYZHT-IBGZPJMESA-N 1 0 430.553 -0.160 20 0 IBADRO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000556118383 1072822813 /nfs/dbraw/zinc/82/28/13/1072822813.db2.gz ZLWSQZMIMWYZHT-LJQANCHMSA-N 1 0 430.553 -0.160 20 0 IBADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000556124382 1072822431 /nfs/dbraw/zinc/82/24/31/1072822431.db2.gz DZSKVOYLSAWMMV-KDURUIRLSA-N 1 0 437.585 -0.526 20 0 IBADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000556124383 1072822176 /nfs/dbraw/zinc/82/21/76/1072822176.db2.gz DZSKVOYLSAWMMV-OALUTQOASA-N 1 0 437.585 -0.526 20 0 IBADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000556124384 1072822298 /nfs/dbraw/zinc/82/22/98/1072822298.db2.gz DZSKVOYLSAWMMV-RTBURBONSA-N 1 0 437.585 -0.526 20 0 IBADRO C[N@H+](CCCNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCCCC1 ZINC000556124460 1072822360 /nfs/dbraw/zinc/82/23/60/1072822360.db2.gz HIDHRYJFLFCIAE-UHFFFAOYSA-N 1 0 437.585 -0.240 20 0 IBADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000556125173 1072822388 /nfs/dbraw/zinc/82/23/88/1072822388.db2.gz JUCSZCJHMNEGFN-UHFFFAOYSA-N 1 0 449.533 -0.225 20 0 IBADRO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000556126278 1072823572 /nfs/dbraw/zinc/82/35/72/1072823572.db2.gz HROVVMKUNIPVHB-UHFFFAOYSA-N 1 0 447.517 -0.037 20 0 IBADRO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000556133983 1072822650 /nfs/dbraw/zinc/82/26/50/1072822650.db2.gz ISRPMKDGDSBWFE-GOSISDBHSA-N 1 0 429.521 -0.230 20 0 IBADRO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000556133985 1072822762 /nfs/dbraw/zinc/82/27/62/1072822762.db2.gz ISRPMKDGDSBWFE-SFHVURJKSA-N 1 0 429.521 -0.230 20 0 IBADRO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000556136138 1072823500 /nfs/dbraw/zinc/82/35/00/1072823500.db2.gz HRDPCRFYCSVMDF-UHFFFAOYSA-N 1 0 429.521 -0.229 20 0 IBADRO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000556139492 1072823554 /nfs/dbraw/zinc/82/35/54/1072823554.db2.gz DIRCOSHALWMNKU-UHFFFAOYSA-N 1 0 449.556 -0.897 20 0 IBADRO COCCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000556151749 1072824603 /nfs/dbraw/zinc/82/46/03/1072824603.db2.gz WXJMUDNQWCDUDP-KRWDZBQOSA-N 1 0 433.509 -0.512 20 0 IBADRO COCCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000556151750 1072825206 /nfs/dbraw/zinc/82/52/06/1072825206.db2.gz WXJMUDNQWCDUDP-QGZVFWFLSA-N 1 0 433.509 -0.512 20 0 IBADRO O=C(CN1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1)Nc1ccccc1 ZINC000556167583 1072826145 /nfs/dbraw/zinc/82/61/45/1072826145.db2.gz NFPATGLODBIZDW-UHFFFAOYSA-N 1 0 431.537 -0.002 20 0 IBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000556168075 1072826165 /nfs/dbraw/zinc/82/61/65/1072826165.db2.gz DNWDVTKHAMSNDQ-KRWDZBQOSA-N 1 0 444.540 -0.315 20 0 IBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000556168076 1072826423 /nfs/dbraw/zinc/82/64/23/1072826423.db2.gz DNWDVTKHAMSNDQ-QGZVFWFLSA-N 1 0 444.540 -0.315 20 0 IBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000556168616 1072826187 /nfs/dbraw/zinc/82/61/87/1072826187.db2.gz UTIZCPZEDUYLIO-KRWDZBQOSA-N 1 0 431.603 -0.549 20 0 IBADRO CN1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000556168617 1072826442 /nfs/dbraw/zinc/82/64/42/1072826442.db2.gz UTIZCPZEDUYLIO-QGZVFWFLSA-N 1 0 431.603 -0.549 20 0 IBADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000556169393 1072826766 /nfs/dbraw/zinc/82/67/66/1072826766.db2.gz AVBHPFVMOATRNY-UHFFFAOYSA-N 1 0 426.539 -0.218 20 0 IBADRO O=C(NCCCC[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000556169961 1072826825 /nfs/dbraw/zinc/82/68/25/1072826825.db2.gz CJWUJOSPKHIENV-UHFFFAOYSA-N 1 0 446.957 -0.037 20 0 IBADRO C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CCN1c1nccn2cnnc12 ZINC000556170888 1072827219 /nfs/dbraw/zinc/82/72/19/1072827219.db2.gz LAHWYMVACARCBY-KRWDZBQOSA-N 1 0 443.556 -0.695 20 0 IBADRO C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CCN1c1nccn2cnnc12 ZINC000556170889 1072827462 /nfs/dbraw/zinc/82/74/62/1072827462.db2.gz LAHWYMVACARCBY-QGZVFWFLSA-N 1 0 443.556 -0.695 20 0 IBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000556175138 1072827825 /nfs/dbraw/zinc/82/78/25/1072827825.db2.gz KFBAISGIZWDNPP-KRWDZBQOSA-N 1 0 431.603 -0.551 20 0 IBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000556175139 1072827990 /nfs/dbraw/zinc/82/79/90/1072827990.db2.gz KFBAISGIZWDNPP-QGZVFWFLSA-N 1 0 431.603 -0.551 20 0 IBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000556175563 1072828030 /nfs/dbraw/zinc/82/80/30/1072828030.db2.gz YSXGHNNWJAJZPN-UHFFFAOYSA-N 1 0 436.601 -0.713 20 0 IBADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000556175978 1072828090 /nfs/dbraw/zinc/82/80/90/1072828090.db2.gz QXUVGEIFUHRPMW-UHFFFAOYSA-N 1 0 449.643 -0.985 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)n1 ZINC000556181497 1073308262 /nfs/dbraw/zinc/30/82/62/1073308262.db2.gz WESQWNQDOVRHLO-UHFFFAOYSA-N 1 0 444.492 0.260 20 0 IBADRO COCC(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000556182451 1072830496 /nfs/dbraw/zinc/83/04/96/1072830496.db2.gz XGZKTLHKMLOOJR-UHFFFAOYSA-N 1 0 445.564 -0.059 20 0 IBADRO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000556187650 1072829860 /nfs/dbraw/zinc/82/98/60/1072829860.db2.gz JWWUXQZKDQTNTQ-UHFFFAOYSA-N 1 0 438.617 -0.422 20 0 IBADRO CNC(=O)CN1CCC(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000556188097 1072829057 /nfs/dbraw/zinc/82/90/57/1072829057.db2.gz ZZFDFOZRKWUDAJ-KDURUIRLSA-N 1 0 427.549 -0.097 20 0 IBADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)C2)CC1 ZINC000556192677 1072831084 /nfs/dbraw/zinc/83/10/84/1072831084.db2.gz CNHANLQYBVISRG-IBGZPJMESA-N 1 0 429.569 -0.095 20 0 IBADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)C2)CC1 ZINC000556192678 1072831303 /nfs/dbraw/zinc/83/13/03/1072831303.db2.gz CNHANLQYBVISRG-LJQANCHMSA-N 1 0 429.569 -0.095 20 0 IBADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000556193349 1072831878 /nfs/dbraw/zinc/83/18/78/1072831878.db2.gz HJBWAWIUFHUFKH-UHFFFAOYSA-N 1 0 429.525 -0.102 20 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ZINC000559686296 1072208310 /nfs/dbraw/zinc/20/83/10/1072208310.db2.gz RGVMWIDVDVRGQA-UHFFFAOYSA-N 1 0 429.525 -0.142 20 0 IBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)ccn2)CC1 ZINC000559687254 1072208211 /nfs/dbraw/zinc/20/82/11/1072208211.db2.gz ZITQMQMIHBHNOE-AWEZNQCLSA-N 1 0 442.442 -0.271 20 0 IBADRO C[NH+]1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)ccn2)CC1 ZINC000559687257 1072208250 /nfs/dbraw/zinc/20/82/50/1072208250.db2.gz ZITQMQMIHBHNOE-CQSZACIVSA-N 1 0 442.442 -0.271 20 0 IBADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000559701813 1072209371 /nfs/dbraw/zinc/20/93/71/1072209371.db2.gz YCLYWLJAAOTROT-UHFFFAOYSA-N 1 0 436.557 -0.501 20 0 IBADRO Nc1nsc(N2CCN(C(=O)C(=O)NC3CC[NH+](Cc4ccccn4)CC3)CC2)n1 ZINC000559703187 1072209478 /nfs/dbraw/zinc/20/94/78/1072209478.db2.gz OBQPEMIZXVZJCS-UHFFFAOYSA-N 1 0 430.538 -0.055 20 0 IBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCc3cnc(N(C)C)n3C)cn2)CC1 ZINC000559731657 1072210032 /nfs/dbraw/zinc/21/00/32/1072210032.db2.gz DCROMLXRNIIYRK-UHFFFAOYSA-N 1 0 428.541 -0.044 20 0 IBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(c4cnccn4)CC3)cn2)CC1 ZINC000559732371 1072209912 /nfs/dbraw/zinc/20/99/12/1072209912.db2.gz ALPPEROTAYXYHQ-UHFFFAOYSA-N 1 0 438.536 -0.022 20 0 IBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)CC1 ZINC000559732643 1072209963 /nfs/dbraw/zinc/20/99/63/1072209963.db2.gz JAUQDQBRUKCYDD-IBGZPJMESA-N 1 0 431.537 -0.586 20 0 IBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC000559732645 1072209988 /nfs/dbraw/zinc/20/99/88/1072209988.db2.gz JAUQDQBRUKCYDD-LJQANCHMSA-N 1 0 431.537 -0.586 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCN(C(=O)COC)CC3)cc2)CC1 ZINC000559733050 1072210544 /nfs/dbraw/zinc/21/05/44/1072210544.db2.gz QXHZOIBFAIVBGT-UHFFFAOYSA-N 1 0 445.564 -0.243 20 0 IBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)cn2)CC1 ZINC000559734189 1072210620 /nfs/dbraw/zinc/21/06/20/1072210620.db2.gz LDSUVLWRDQRGDJ-UHFFFAOYSA-N 1 0 440.552 -0.093 20 0 IBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H](C)CN3CCOCC3)cn2)CC1 ZINC000559734482 1072210524 /nfs/dbraw/zinc/21/05/24/1072210524.db2.gz RBSSHEVUFZEMRR-GOSISDBHSA-N 1 0 432.569 -0.076 20 0 IBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H](C)CN3CCOCC3)cn2)CC1 ZINC000559734486 1072210459 /nfs/dbraw/zinc/21/04/59/1072210459.db2.gz RBSSHEVUFZEMRR-SFHVURJKSA-N 1 0 432.569 -0.076 20 0 IBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC000559734518 1072210587 /nfs/dbraw/zinc/21/05/87/1072210587.db2.gz RPGBFBBAGBELEM-NRFANRHFSA-N 1 0 445.564 -0.196 20 0 IBADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC000559734519 1072210434 /nfs/dbraw/zinc/21/04/34/1072210434.db2.gz RPGBFBBAGBELEM-OAQYLSRUSA-N 1 0 445.564 -0.196 20 0 IBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCCN(CCOC)C(=O)C3)cn2)CC1 ZINC000559734806 1072210633 /nfs/dbraw/zinc/21/06/33/1072210633.db2.gz WJYXYMVSHMXDQK-UHFFFAOYSA-N 1 0 446.552 -0.453 20 0 IBADRO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[NH+]1CCC(C)CC1 ZINC000559742317 1072210676 /nfs/dbraw/zinc/21/06/76/1072210676.db2.gz ZMDHMDQFVLAVIQ-KRWDZBQOSA-N 1 0 434.545 -0.783 20 0 IBADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)[NH+]1CCC(C)CC1 ZINC000559742318 1072210476 /nfs/dbraw/zinc/21/04/76/1072210476.db2.gz ZMDHMDQFVLAVIQ-QGZVFWFLSA-N 1 0 434.545 -0.783 20 0 IBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000559743348 1072210653 /nfs/dbraw/zinc/21/06/53/1072210653.db2.gz NCCCCHAKXGFTHI-DLBZAZTESA-N 1 0 430.571 -0.513 20 0 IBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000559743350 1072210385 /nfs/dbraw/zinc/21/03/85/1072210385.db2.gz NCCCCHAKXGFTHI-IAGOWNOFSA-N 1 0 430.571 -0.513 20 0 IBADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000559743351 1072210499 /nfs/dbraw/zinc/21/04/99/1072210499.db2.gz NCCCCHAKXGFTHI-IRXDYDNUSA-N 1 0 430.571 -0.513 20 0 IBADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000559743352 1072211084 /nfs/dbraw/zinc/21/10/84/1072211084.db2.gz NCCCCHAKXGFTHI-SJORKVTESA-N 1 0 430.571 -0.513 20 0 IBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000559745317 1072211004 /nfs/dbraw/zinc/21/10/04/1072211004.db2.gz YBBOICDGLLWEFW-KRWDZBQOSA-N 1 0 432.587 -0.267 20 0 IBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000559745320 1072211019 /nfs/dbraw/zinc/21/10/19/1072211019.db2.gz YBBOICDGLLWEFW-QGZVFWFLSA-N 1 0 432.587 -0.267 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000559746631 1072211129 /nfs/dbraw/zinc/21/11/29/1072211129.db2.gz HBRILOJDRXONNU-IBGZPJMESA-N 1 0 449.527 -0.452 20 0 IBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000559746632 1072211040 /nfs/dbraw/zinc/21/10/40/1072211040.db2.gz HBRILOJDRXONNU-LJQANCHMSA-N 1 0 449.527 -0.452 20 0 IBADRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC(=O)N3CCN(C)CC3)cn2)CC1 ZINC000559751084 1072211213 /nfs/dbraw/zinc/21/12/13/1072211213.db2.gz LDPLJHOLYRODLT-UHFFFAOYSA-N 1 0 445.568 -0.880 20 0 IBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000559753295 1072210991 /nfs/dbraw/zinc/21/09/91/1072210991.db2.gz QYRSWPXDZYAZNX-UHFFFAOYSA-N 1 0 425.555 -0.050 20 0 IBADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)CC1 ZINC000559761504 1072211777 /nfs/dbraw/zinc/21/17/77/1072211777.db2.gz BWSVCKPDYNHKGQ-UHFFFAOYSA-N 1 0 430.553 -0.196 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000559762728 1072212457 /nfs/dbraw/zinc/21/24/57/1072212457.db2.gz NZRFRYTZVJSGLP-FQEVSTJZSA-N 1 0 427.549 -0.074 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000559762731 1072212502 /nfs/dbraw/zinc/21/25/02/1072212502.db2.gz NZRFRYTZVJSGLP-HXUWFJFHSA-N 1 0 427.549 -0.074 20 0 IBADRO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000559763821 1072212225 /nfs/dbraw/zinc/21/22/25/1072212225.db2.gz LZGXQVLINZGKRD-AWEZNQCLSA-N 1 0 427.513 -0.272 20 0 IBADRO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000559763822 1072212251 /nfs/dbraw/zinc/21/22/51/1072212251.db2.gz LZGXQVLINZGKRD-CQSZACIVSA-N 1 0 427.513 -0.272 20 0 IBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000559769550 1072213017 /nfs/dbraw/zinc/21/30/17/1072213017.db2.gz PGVUCRZLRVYJDD-UHFFFAOYSA-N 1 0 436.601 -0.667 20 0 IBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000559769869 1072213737 /nfs/dbraw/zinc/21/37/37/1072213737.db2.gz AOALNQQWUBJCGP-UHFFFAOYSA-N 1 0 445.564 -0.460 20 0 IBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000559771008 1072213610 /nfs/dbraw/zinc/21/36/10/1072213610.db2.gz OPQMQZPUPFOMJU-FQEVSTJZSA-N 1 0 444.580 -0.628 20 0 IBADRO CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000559771010 1072213786 /nfs/dbraw/zinc/21/37/86/1072213786.db2.gz OPQMQZPUPFOMJU-HXUWFJFHSA-N 1 0 444.580 -0.628 20 0 IBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000559771243 1072213532 /nfs/dbraw/zinc/21/35/32/1072213532.db2.gz AWCRHDZEXYHFLE-PMACEKPBSA-N 1 0 431.537 -0.545 20 0 IBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000559771244 1072213662 /nfs/dbraw/zinc/21/36/62/1072213662.db2.gz AWCRHDZEXYHFLE-UXHICEINSA-N 1 0 431.537 -0.545 20 0 IBADRO CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000559771245 1072213801 /nfs/dbraw/zinc/21/38/01/1072213801.db2.gz AWCRHDZEXYHFLE-VQTJNVASSA-N 1 0 431.537 -0.545 20 0 IBADRO CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCO1 ZINC000559771246 1072213758 /nfs/dbraw/zinc/21/37/58/1072213758.db2.gz AWCRHDZEXYHFLE-WOJBJXKFSA-N 1 0 431.537 -0.545 20 0 IBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559772291 1072214268 /nfs/dbraw/zinc/21/42/68/1072214268.db2.gz HIBFBCQXFJVRSU-FQEVSTJZSA-N 1 0 445.564 -0.326 20 0 IBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000559772292 1072214451 /nfs/dbraw/zinc/21/44/51/1072214451.db2.gz HIBFBCQXFJVRSU-HXUWFJFHSA-N 1 0 445.564 -0.326 20 0 IBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000559772397 1072213726 /nfs/dbraw/zinc/21/37/26/1072213726.db2.gz OZJPESBYYDJZLX-UHFFFAOYSA-N 1 0 436.601 -0.716 20 0 IBADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000559772405 1072213766 /nfs/dbraw/zinc/21/37/66/1072213766.db2.gz PGWNVONGIZIVED-HDICACEKSA-N 1 0 437.585 -0.386 20 0 IBADRO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000559772406 1072213554 /nfs/dbraw/zinc/21/35/54/1072213554.db2.gz PGWNVONGIZIVED-QZTJIDSGSA-N 1 0 437.585 -0.386 20 0 IBADRO 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COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000559925085 1072225870 /nfs/dbraw/zinc/22/58/70/1072225870.db2.gz JJIGPOHTJXDFDN-UHFFFAOYSA-N 1 0 425.574 -0.526 20 0 IBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000559925452 1072225746 /nfs/dbraw/zinc/22/57/46/1072225746.db2.gz WRBFKVOFKGOMRI-UHFFFAOYSA-N 1 0 445.630 -0.350 20 0 IBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000559925537 1072225973 /nfs/dbraw/zinc/22/59/73/1072225973.db2.gz OSORISKSJLGLLK-GOSISDBHSA-N 1 0 425.574 -0.384 20 0 IBADRO COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000559925541 1072225761 /nfs/dbraw/zinc/22/57/61/1072225761.db2.gz OSORISKSJLGLLK-SFHVURJKSA-N 1 0 425.574 -0.384 20 0 IBADRO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000559925803 1072225714 /nfs/dbraw/zinc/22/57/14/1072225714.db2.gz VBDDSDRXDLKVIK-KRWDZBQOSA-N 1 0 431.603 -0.599 20 0 IBADRO 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O=C(CN1CCN(C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1)NC1CC1 ZINC000559961872 1072227073 /nfs/dbraw/zinc/22/70/73/1072227073.db2.gz KEVBIIRZEYFGAI-UHFFFAOYSA-N 1 0 437.610 -0.113 20 0 IBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000559965000 1072227050 /nfs/dbraw/zinc/22/70/50/1072227050.db2.gz SNQPPKWRPNUFAX-KRWDZBQOSA-N 1 0 428.599 -0.384 20 0 IBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000559965001 1072226991 /nfs/dbraw/zinc/22/69/91/1072226991.db2.gz SNQPPKWRPNUFAX-QGZVFWFLSA-N 1 0 428.599 -0.384 20 0 IBADRO C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C[NH+](C)C ZINC000559972687 1072227150 /nfs/dbraw/zinc/22/71/50/1072227150.db2.gz VXQVXRFFWISEPC-CYBMUJFWSA-N 1 0 425.511 -0.941 20 0 IBADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C[NH+](C)C ZINC000559972688 1072227096 /nfs/dbraw/zinc/22/70/96/1072227096.db2.gz VXQVXRFFWISEPC-ZDUSSCGKSA-N 1 0 425.511 -0.941 20 0 IBADRO COc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000559973868 1072227314 /nfs/dbraw/zinc/22/73/14/1072227314.db2.gz DUBROJOLEFBJEA-AWEZNQCLSA-N 1 0 442.538 -0.032 20 0 IBADRO COc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000559973871 1072227503 /nfs/dbraw/zinc/22/75/03/1072227503.db2.gz DUBROJOLEFBJEA-CQSZACIVSA-N 1 0 442.538 -0.032 20 0 IBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560008648 1072228591 /nfs/dbraw/zinc/22/85/91/1072228591.db2.gz VWQMYHTUKANEKH-DYESRHJHSA-N 1 0 426.558 -0.196 20 0 IBADRO CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560008649 1072228465 /nfs/dbraw/zinc/22/84/65/1072228465.db2.gz VWQMYHTUKANEKH-LAUBAEHRSA-N 1 0 426.558 -0.196 20 0 IBADRO CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560008650 1072228524 /nfs/dbraw/zinc/22/85/24/1072228524.db2.gz VWQMYHTUKANEKH-UTKZUKDTSA-N 1 0 426.558 -0.196 20 0 IBADRO CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000560008651 1072228388 /nfs/dbraw/zinc/22/83/88/1072228388.db2.gz VWQMYHTUKANEKH-UWJYYQICSA-N 1 0 426.558 -0.196 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000560013099 1071089660 /nfs/dbraw/zinc/08/96/60/1071089660.db2.gz ITBVGWZVJVTRIT-DLBZAZTESA-N 1 0 433.557 -0.579 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000560013107 1072229010 /nfs/dbraw/zinc/22/90/10/1072229010.db2.gz ITBVGWZVJVTRIT-IAGOWNOFSA-N 1 0 433.557 -0.579 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000560013109 1072228940 /nfs/dbraw/zinc/22/89/40/1072228940.db2.gz ITBVGWZVJVTRIT-IRXDYDNUSA-N 1 0 433.557 -0.579 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000560013111 1071089602 /nfs/dbraw/zinc/08/96/02/1071089602.db2.gz ITBVGWZVJVTRIT-SJORKVTESA-N 1 0 433.557 -0.579 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000560014160 1072229314 /nfs/dbraw/zinc/22/93/14/1072229314.db2.gz SJFNWLXIUQFROU-IBGZPJMESA-N 1 0 436.601 -0.857 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000560014161 1072229159 /nfs/dbraw/zinc/22/91/59/1072229159.db2.gz SJFNWLXIUQFROU-LJQANCHMSA-N 1 0 436.601 -0.857 20 0 IBADRO C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000560015692 1072229096 /nfs/dbraw/zinc/22/90/96/1072229096.db2.gz OYRVXMPSQRYVFW-KRWDZBQOSA-N 1 0 431.541 -0.520 20 0 IBADRO C[C@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000560015696 1072229086 /nfs/dbraw/zinc/22/90/86/1072229086.db2.gz OYRVXMPSQRYVFW-QGZVFWFLSA-N 1 0 431.541 -0.520 20 0 IBADRO C[C@@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)C[NH+]1CCN(C)CC1 ZINC000560015756 1072229333 /nfs/dbraw/zinc/22/93/33/1072229333.db2.gz JPLWODZUIGKZNI-FXAWDEMLSA-N 1 0 427.615 -0.690 20 0 IBADRO C[C@@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C[NH+]1CCN(C)CC1 ZINC000560015768 1072229119 /nfs/dbraw/zinc/22/91/19/1072229119.db2.gz JPLWODZUIGKZNI-PXNSSMCTSA-N 1 0 427.615 -0.690 20 0 IBADRO C[C@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)C[NH+]1CCN(C)CC1 ZINC000560015770 1072229187 /nfs/dbraw/zinc/22/91/87/1072229187.db2.gz JPLWODZUIGKZNI-XLIONFOSSA-N 1 0 427.615 -0.690 20 0 IBADRO C[C@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)C[NH+]1CCN(C)CC1 ZINC000560015772 1072229254 /nfs/dbraw/zinc/22/92/54/1072229254.db2.gz JPLWODZUIGKZNI-YLJYHZDGSA-N 1 0 427.615 -0.690 20 0 IBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C[NH+]1CCCC1 ZINC000560016135 1071090595 /nfs/dbraw/zinc/09/05/95/1071090595.db2.gz MERUCCKVSNMLPO-DLBZAZTESA-N 1 0 430.571 -0.513 20 0 IBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C[NH+]1CCCC1 ZINC000560016136 1071090801 /nfs/dbraw/zinc/09/08/01/1071090801.db2.gz MERUCCKVSNMLPO-IAGOWNOFSA-N 1 0 430.571 -0.513 20 0 IBADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C[NH+]1CCCC1 ZINC000560016137 1072229740 /nfs/dbraw/zinc/22/97/40/1072229740.db2.gz MERUCCKVSNMLPO-IRXDYDNUSA-N 1 0 430.571 -0.513 20 0 IBADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C[NH+]1CCCC1 ZINC000560016138 1072229715 /nfs/dbraw/zinc/22/97/15/1072229715.db2.gz MERUCCKVSNMLPO-SJORKVTESA-N 1 0 430.571 -0.513 20 0 IBADRO COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000560016174 1072229865 /nfs/dbraw/zinc/22/98/65/1072229865.db2.gz RGCHZMXBLMKIHW-FXAWDEMLSA-N 1 0 445.564 -0.088 20 0 IBADRO COc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000560016177 1072229683 /nfs/dbraw/zinc/22/96/83/1072229683.db2.gz RGCHZMXBLMKIHW-PXNSSMCTSA-N 1 0 445.564 -0.088 20 0 IBADRO COc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000560016179 1072229841 /nfs/dbraw/zinc/22/98/41/1072229841.db2.gz RGCHZMXBLMKIHW-XLIONFOSSA-N 1 0 445.564 -0.088 20 0 IBADRO COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000560016181 1071090677 /nfs/dbraw/zinc/09/06/77/1071090677.db2.gz RGCHZMXBLMKIHW-YLJYHZDGSA-N 1 0 445.564 -0.088 20 0 IBADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C[NH+]1CCCC1 ZINC000560016720 1072229803 /nfs/dbraw/zinc/22/98/03/1072229803.db2.gz VHKOJDRDDUNOIO-INIZCTEOSA-N 1 0 429.521 -0.277 20 0 IBADRO C[C@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C[NH+]1CCCC1 ZINC000560016721 1072229813 /nfs/dbraw/zinc/22/98/13/1072229813.db2.gz VHKOJDRDDUNOIO-MRXNPFEDSA-N 1 0 429.521 -0.277 20 0 IBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000560017461 1072229729 /nfs/dbraw/zinc/22/97/29/1072229729.db2.gz VHZVQEHCZCPKHW-KRWDZBQOSA-N 1 0 432.587 -0.267 20 0 IBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000560017462 1072229764 /nfs/dbraw/zinc/22/97/64/1072229764.db2.gz VHZVQEHCZCPKHW-QGZVFWFLSA-N 1 0 432.587 -0.267 20 0 IBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560030172 1072230485 /nfs/dbraw/zinc/23/04/85/1072230485.db2.gz XRCATDGBUSXQEQ-MSOLQXFVSA-N 1 0 427.505 -0.382 20 0 IBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560030173 1072230455 /nfs/dbraw/zinc/23/04/55/1072230455.db2.gz XRCATDGBUSXQEQ-QZTJIDSGSA-N 1 0 427.505 -0.382 20 0 IBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560030174 1072230194 /nfs/dbraw/zinc/23/01/94/1072230194.db2.gz XRCATDGBUSXQEQ-ROUUACIJSA-N 1 0 427.505 -0.382 20 0 IBADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000560030175 1072230239 /nfs/dbraw/zinc/23/02/39/1072230239.db2.gz XRCATDGBUSXQEQ-ZWKOTPCHSA-N 1 0 427.505 -0.382 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000560031165 1072230795 /nfs/dbraw/zinc/23/07/95/1072230795.db2.gz QFLFQQDCYSYPAB-DLBZAZTESA-N 1 0 431.603 -0.836 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000560031166 1072230933 /nfs/dbraw/zinc/23/09/33/1072230933.db2.gz QFLFQQDCYSYPAB-IAGOWNOFSA-N 1 0 431.603 -0.836 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000560031167 1072231054 /nfs/dbraw/zinc/23/10/54/1072231054.db2.gz QFLFQQDCYSYPAB-IRXDYDNUSA-N 1 0 431.603 -0.836 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000560031168 1072231039 /nfs/dbraw/zinc/23/10/39/1072231039.db2.gz QFLFQQDCYSYPAB-SJORKVTESA-N 1 0 431.603 -0.836 20 0 IBADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000560031299 1072231082 /nfs/dbraw/zinc/23/10/82/1072231082.db2.gz VBOQBZOPBQWDRM-MOPGFXCFSA-N 1 0 436.601 -0.859 20 0 IBADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000560031300 1072230989 /nfs/dbraw/zinc/23/09/89/1072230989.db2.gz VBOQBZOPBQWDRM-OALUTQOASA-N 1 0 436.601 -0.859 20 0 IBADRO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000560031301 1072230825 /nfs/dbraw/zinc/23/08/25/1072230825.db2.gz VBOQBZOPBQWDRM-RBUKOAKNSA-N 1 0 436.601 -0.859 20 0 IBADRO C[C@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000560031302 1072231012 /nfs/dbraw/zinc/23/10/12/1072231012.db2.gz VBOQBZOPBQWDRM-RTBURBONSA-N 1 0 436.601 -0.859 20 0 IBADRO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C[NH+]1CCN(C)CC1 ZINC000560031556 1072230428 /nfs/dbraw/zinc/23/04/28/1072230428.db2.gz BCDALJJCRVPOSL-DLBZAZTESA-N 1 0 431.603 -0.694 20 0 IBADRO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C[NH+]1CCN(C)CC1 ZINC000560031557 1072230257 /nfs/dbraw/zinc/23/02/57/1072230257.db2.gz BCDALJJCRVPOSL-IAGOWNOFSA-N 1 0 431.603 -0.694 20 0 IBADRO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C[NH+]1CCN(C)CC1 ZINC000560031558 1072230380 /nfs/dbraw/zinc/23/03/80/1072230380.db2.gz BCDALJJCRVPOSL-IRXDYDNUSA-N 1 0 431.603 -0.694 20 0 IBADRO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C[NH+]1CCN(C)CC1 ZINC000560031559 1072230749 /nfs/dbraw/zinc/23/07/49/1072230749.db2.gz BCDALJJCRVPOSL-SJORKVTESA-N 1 0 431.603 -0.694 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000560034499 1072230964 /nfs/dbraw/zinc/23/09/64/1072230964.db2.gz SELMONSZQBYBET-MSOLQXFVSA-N 1 0 443.614 -0.597 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000560034500 1072231066 /nfs/dbraw/zinc/23/10/66/1072231066.db2.gz SELMONSZQBYBET-QZTJIDSGSA-N 1 0 443.614 -0.597 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000560034501 1072230854 /nfs/dbraw/zinc/23/08/54/1072230854.db2.gz SELMONSZQBYBET-ROUUACIJSA-N 1 0 443.614 -0.597 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000560034502 1072231629 /nfs/dbraw/zinc/23/16/29/1072231629.db2.gz SELMONSZQBYBET-ZWKOTPCHSA-N 1 0 443.614 -0.597 20 0 IBADRO 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O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000561355542 1072274689 /nfs/dbraw/zinc/27/46/89/1072274689.db2.gz CRGUEAJTLUTLMH-KRWDZBQOSA-N 1 0 442.582 -0.226 20 0 IBADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000561355543 1072274472 /nfs/dbraw/zinc/27/44/72/1072274472.db2.gz CRGUEAJTLUTLMH-QGZVFWFLSA-N 1 0 442.582 -0.226 20 0 IBADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000561356952 1072274392 /nfs/dbraw/zinc/27/43/92/1072274392.db2.gz JUIOEZXJSFLAFI-AWEZNQCLSA-N 1 0 425.448 -0.118 20 0 IBADRO CN1CCN(C(=O)C2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)CC1 ZINC000561357251 1072274607 /nfs/dbraw/zinc/27/46/07/1072274607.db2.gz XJLDBNXUAQUHAL-UHFFFAOYSA-N 1 0 449.596 -0.240 20 0 IBADRO COc1cc(N2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)ncn1 ZINC000561358428 1072275087 /nfs/dbraw/zinc/27/50/87/1072275087.db2.gz AOUSVOVJSWZSRT-UHFFFAOYSA-N 1 0 432.525 -0.105 20 0 IBADRO C[C@H]1c2nncn2CCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000561360848 1072275141 /nfs/dbraw/zinc/27/51/41/1072275141.db2.gz FHJCHIBTZGFCQE-INIZCTEOSA-N 1 0 427.513 -0.310 20 0 IBADRO C[C@@H]1c2nncn2CCN1C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000561360849 1072275048 /nfs/dbraw/zinc/27/50/48/1072275048.db2.gz FHJCHIBTZGFCQE-MRXNPFEDSA-N 1 0 427.513 -0.310 20 0 IBADRO C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H](C)N1CCOCC1 ZINC000561360967 1072275099 /nfs/dbraw/zinc/27/50/99/1072275099.db2.gz IZMRCIHUCPLEIV-MOPGFXCFSA-N 1 0 447.584 -0.280 20 0 IBADRO C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H](C)N1CCOCC1 ZINC000561360968 1072275127 /nfs/dbraw/zinc/27/51/27/1072275127.db2.gz IZMRCIHUCPLEIV-OALUTQOASA-N 1 0 447.584 -0.280 20 0 IBADRO C[C@H]([C@H](C)NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCOCC1 ZINC000561360969 1072275110 /nfs/dbraw/zinc/27/51/10/1072275110.db2.gz IZMRCIHUCPLEIV-RBUKOAKNSA-N 1 0 447.584 -0.280 20 0 IBADRO C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H](C)N1CCOCC1 ZINC000561360970 1072275159 /nfs/dbraw/zinc/27/51/59/1072275159.db2.gz IZMRCIHUCPLEIV-RTBURBONSA-N 1 0 447.584 -0.280 20 0 IBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000561362213 1072275209 /nfs/dbraw/zinc/27/52/09/1072275209.db2.gz FENFQVIZHNSLDR-JOCHJYFZSA-N 1 0 443.552 -0.376 20 0 IBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000561362214 1072274967 /nfs/dbraw/zinc/27/49/67/1072274967.db2.gz FENFQVIZHNSLDR-QFIPXVFZSA-N 1 0 443.552 -0.376 20 0 IBADRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000561362245 1072274997 /nfs/dbraw/zinc/27/49/97/1072274997.db2.gz GHHGSTVIRBBFIZ-DLBZAZTESA-N 1 0 431.541 -0.474 20 0 IBADRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000561362246 1072275177 /nfs/dbraw/zinc/27/51/77/1072275177.db2.gz GHHGSTVIRBBFIZ-IAGOWNOFSA-N 1 0 431.541 -0.474 20 0 IBADRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000561362247 1072275227 /nfs/dbraw/zinc/27/52/27/1072275227.db2.gz GHHGSTVIRBBFIZ-IRXDYDNUSA-N 1 0 431.541 -0.474 20 0 IBADRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000561362248 1072275027 /nfs/dbraw/zinc/27/50/27/1072275027.db2.gz GHHGSTVIRBBFIZ-SJORKVTESA-N 1 0 431.541 -0.474 20 0 IBADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCCC[NH+]1CCN(c3ncccn3)CC1)CCO2 ZINC000561362553 1072275071 /nfs/dbraw/zinc/27/50/71/1072275071.db2.gz JQGWRAYKZNAWSZ-AVRDEDQJSA-N 1 0 446.552 -0.099 20 0 IBADRO C[C@H]1OCC[C@]12CN(C(=O)C(=O)NCCCC[NH+]1CCN(c3ncccn3)CC1)CCO2 ZINC000561362554 1072275011 /nfs/dbraw/zinc/27/50/11/1072275011.db2.gz JQGWRAYKZNAWSZ-GCJKJVERSA-N 1 0 446.552 -0.099 20 0 IBADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCCC[NH+]1CCN(c3ncccn3)CC1)CCO2 ZINC000561362555 1072275253 /nfs/dbraw/zinc/27/52/53/1072275253.db2.gz JQGWRAYKZNAWSZ-PGRDOPGGSA-N 1 0 446.552 -0.099 20 0 IBADRO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NCCCC[NH+]1CCN(c3ncccn3)CC1)CCO2 ZINC000561362557 1072274981 /nfs/dbraw/zinc/27/49/81/1072274981.db2.gz JQGWRAYKZNAWSZ-XMSQKQJNSA-N 1 0 446.552 -0.099 20 0 IBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000561363500 1072275831 /nfs/dbraw/zinc/27/58/31/1072275831.db2.gz RMFLPZMPGFXRTL-UHFFFAOYSA-N 1 0 446.552 -0.097 20 0 IBADRO NC(=O)c1ccc(CNC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000561363641 1072275644 /nfs/dbraw/zinc/27/56/44/1072275644.db2.gz XIHFEAXISKKJIB-UHFFFAOYSA-N 1 0 439.520 -0.090 20 0 IBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000561363946 1072275764 /nfs/dbraw/zinc/27/57/64/1072275764.db2.gz RPRVTROHXVYJLN-IAGOWNOFSA-N 1 0 429.525 -0.768 20 0 IBADRO CC(=O)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000561364008 1072275727 /nfs/dbraw/zinc/27/57/27/1072275727.db2.gz WNSNJFBIEBDUCB-KRWDZBQOSA-N 1 0 431.541 -0.426 20 0 IBADRO CC(=O)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000561364011 1072275749 /nfs/dbraw/zinc/27/57/49/1072275749.db2.gz WNSNJFBIEBDUCB-QGZVFWFLSA-N 1 0 431.541 -0.426 20 0 IBADRO CC1(C)CN(CCNC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000561364286 1072275665 /nfs/dbraw/zinc/27/56/65/1072275665.db2.gz XOWGLVKELCOUIX-UHFFFAOYSA-N 1 0 447.584 -0.278 20 0 IBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000561365657 1072275599 /nfs/dbraw/zinc/27/55/99/1072275599.db2.gz NEVCUHVMCXLFKZ-MSOLQXFVSA-N 1 0 443.552 -0.235 20 0 IBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000561365660 1072275619 /nfs/dbraw/zinc/27/56/19/1072275619.db2.gz NEVCUHVMCXLFKZ-QZTJIDSGSA-N 1 0 443.552 -0.235 20 0 IBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000561365661 1072275518 /nfs/dbraw/zinc/27/55/18/1072275518.db2.gz NEVCUHVMCXLFKZ-ROUUACIJSA-N 1 0 443.552 -0.235 20 0 IBADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000561365662 1072275570 /nfs/dbraw/zinc/27/55/70/1072275570.db2.gz NEVCUHVMCXLFKZ-ZWKOTPCHSA-N 1 0 443.552 -0.235 20 0 IBADRO Cc1nc2n(n1)CCN(C(=O)C(=O)NCCCC[NH+]1CCN(c3ncccn3)CC1)C2 ZINC000561365889 1072275541 /nfs/dbraw/zinc/27/55/41/1072275541.db2.gz OWQMJZQOHLICEX-UHFFFAOYSA-N 1 0 427.513 -0.563 20 0 IBADRO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000561366180 1072275795 /nfs/dbraw/zinc/27/57/95/1072275795.db2.gz WDCHQORXZHWSOS-KRWDZBQOSA-N 1 0 431.541 -0.378 20 0 IBADRO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000561366181 1072275778 /nfs/dbraw/zinc/27/57/78/1072275778.db2.gz WDCHQORXZHWSOS-QGZVFWFLSA-N 1 0 431.541 -0.378 20 0 IBADRO C[C@H]([C@H](C)NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)N1CCOCC1 ZINC000561368329 1072276351 /nfs/dbraw/zinc/27/63/51/1072276351.db2.gz PVMMCDZGHSEJIX-DLBZAZTESA-N 1 0 439.601 -0.045 20 0 IBADRO C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H](C)N1CCOCC1 ZINC000561368333 1072276198 /nfs/dbraw/zinc/27/61/98/1072276198.db2.gz PVMMCDZGHSEJIX-IAGOWNOFSA-N 1 0 439.601 -0.045 20 0 IBADRO C[C@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H](C)N1CCOCC1 ZINC000561368335 1072276098 /nfs/dbraw/zinc/27/60/98/1072276098.db2.gz PVMMCDZGHSEJIX-IRXDYDNUSA-N 1 0 439.601 -0.045 20 0 IBADRO C[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H](C)N1CCOCC1 ZINC000561368337 1072276330 /nfs/dbraw/zinc/27/63/30/1072276330.db2.gz PVMMCDZGHSEJIX-SJORKVTESA-N 1 0 439.601 -0.045 20 0 IBADRO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)C2=O)n(C)n1 ZINC000561372389 1072276879 /nfs/dbraw/zinc/27/68/79/1072276879.db2.gz DIBLRHOOSLOQIQ-GOSISDBHSA-N 1 0 445.568 -0.564 20 0 IBADRO Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)C2=O)n(C)n1 ZINC000561372390 1072276750 /nfs/dbraw/zinc/27/67/50/1072276750.db2.gz DIBLRHOOSLOQIQ-SFHVURJKSA-N 1 0 445.568 -0.564 20 0 IBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000561377807 1072276778 /nfs/dbraw/zinc/27/67/78/1072276778.db2.gz ATRREYFNQGLRLM-INIZCTEOSA-N 1 0 432.529 -0.507 20 0 IBADRO COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000561377808 1071156427 /nfs/dbraw/zinc/15/64/27/1071156427.db2.gz ATRREYFNQGLRLM-MRXNPFEDSA-N 1 0 432.529 -0.507 20 0 IBADRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000561380159 1072276830 /nfs/dbraw/zinc/27/68/30/1072276830.db2.gz CRQPXJIPRQNCBV-UHFFFAOYSA-N 1 0 448.611 -0.131 20 0 IBADRO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000561387148 1072276888 /nfs/dbraw/zinc/27/68/88/1072276888.db2.gz SLEHOJBZVCQVMG-GOSISDBHSA-N 1 0 438.550 -0.291 20 0 IBADRO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000561387153 1072276924 /nfs/dbraw/zinc/27/69/24/1072276924.db2.gz SLEHOJBZVCQVMG-SFHVURJKSA-N 1 0 438.550 -0.291 20 0 IBADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000561398600 1072277415 /nfs/dbraw/zinc/27/74/15/1072277415.db2.gz ZIGKNXHMFFGECZ-QGZVFWFLSA-N 1 0 433.557 -0.192 20 0 IBADRO COc1ccc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000561403670 1072277281 /nfs/dbraw/zinc/27/72/81/1072277281.db2.gz TZXDLQCRCZTKLS-AWEZNQCLSA-N 1 0 442.538 -0.314 20 0 IBADRO COc1ccc(S(=O)(=O)NCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000561403672 1072277316 /nfs/dbraw/zinc/27/73/16/1072277316.db2.gz TZXDLQCRCZTKLS-CQSZACIVSA-N 1 0 442.538 -0.314 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC(C(=O)NC(CC)(CC)C(N)=O)C2)CC1=O ZINC000561416915 1072277783 /nfs/dbraw/zinc/27/77/83/1072277783.db2.gz DCPZRKXDIZBZGE-DOTOQJQBSA-N 1 0 435.569 -0.062 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC(C(=O)NC(CC)(CC)C(N)=O)C2)CC1=O ZINC000561416918 1072277832 /nfs/dbraw/zinc/27/78/32/1072277832.db2.gz DCPZRKXDIZBZGE-NVXWUHKLSA-N 1 0 435.569 -0.062 20 0 IBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC(C(=O)NC(CC)(CC)C(N)=O)C2)CC1=O ZINC000561416919 1072277865 /nfs/dbraw/zinc/27/78/65/1072277865.db2.gz DCPZRKXDIZBZGE-RDJZCZTQSA-N 1 0 435.569 -0.062 20 0 IBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC(C(=O)NC(CC)(CC)C(N)=O)C2)CC1=O ZINC000561416920 1072277900 /nfs/dbraw/zinc/27/79/00/1072277900.db2.gz DCPZRKXDIZBZGE-WBVHZDCISA-N 1 0 435.569 -0.062 20 0 IBADRO C[N@H+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C1CCCC1 ZINC000561423270 1072278455 /nfs/dbraw/zinc/27/84/55/1072278455.db2.gz AEJYQRVTHRZZLL-UHFFFAOYSA-N 1 0 427.527 -0.361 20 0 IBADRO C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CCCC1 ZINC000561423354 1072278536 /nfs/dbraw/zinc/27/85/36/1072278536.db2.gz DFWBCVDQWBORSA-KRWDZBQOSA-N 1 0 430.571 -0.370 20 0 IBADRO C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CCCC1 ZINC000561423355 1072278441 /nfs/dbraw/zinc/27/84/41/1072278441.db2.gz DFWBCVDQWBORSA-QGZVFWFLSA-N 1 0 430.571 -0.370 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000561439121 1072278856 /nfs/dbraw/zinc/27/88/56/1072278856.db2.gz GPYLSZQMWJEQDM-INIZCTEOSA-N 1 0 436.534 -0.573 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000561439122 1072278993 /nfs/dbraw/zinc/27/89/93/1072278993.db2.gz GPYLSZQMWJEQDM-MRXNPFEDSA-N 1 0 436.534 -0.573 20 0 IBADRO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](CCOC)C3)CC2)CC1 ZINC000561440728 1072279150 /nfs/dbraw/zinc/27/91/50/1072279150.db2.gz MEBZYMYIZWKYLP-IBGZPJMESA-N 1 0 437.585 -0.384 20 0 IBADRO CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](CCOC)C3)CC2)CC1 ZINC000561440729 1072279099 /nfs/dbraw/zinc/27/90/99/1072279099.db2.gz MEBZYMYIZWKYLP-LJQANCHMSA-N 1 0 437.585 -0.384 20 0 IBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000561448056 1072278973 /nfs/dbraw/zinc/27/89/73/1072278973.db2.gz AERDWAFMOMQZEP-QGZVFWFLSA-N 1 0 439.586 -0.097 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000561450420 1072278946 /nfs/dbraw/zinc/27/89/46/1072278946.db2.gz JOMJLPNGJZONAC-IBGZPJMESA-N 1 0 437.585 -0.336 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000561450421 1072279289 /nfs/dbraw/zinc/27/92/89/1072279289.db2.gz JOMJLPNGJZONAC-LJQANCHMSA-N 1 0 437.585 -0.336 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)C1 ZINC000561450918 1072279239 /nfs/dbraw/zinc/27/92/39/1072279239.db2.gz WIPUONWNAUZYKS-CVEARBPZSA-N 1 0 438.529 -0.352 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)C1 ZINC000561450919 1072279200 /nfs/dbraw/zinc/27/92/00/1072279200.db2.gz WIPUONWNAUZYKS-HOTGVXAUSA-N 1 0 438.529 -0.352 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)C1 ZINC000561450920 1072278912 /nfs/dbraw/zinc/27/89/12/1072278912.db2.gz WIPUONWNAUZYKS-HZPDHXFCSA-N 1 0 438.529 -0.352 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)C1 ZINC000561450921 1072279042 /nfs/dbraw/zinc/27/90/42/1072279042.db2.gz WIPUONWNAUZYKS-JKSUJKDBSA-N 1 0 438.529 -0.352 20 0 IBADRO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000561459300 1072279646 /nfs/dbraw/zinc/27/96/46/1072279646.db2.gz NTMPFAVMULFSAM-UHFFFAOYSA-N 1 0 432.612 -0.042 20 0 IBADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000561459318 1072279836 /nfs/dbraw/zinc/27/98/36/1072279836.db2.gz ORJROFMWDZDVCX-INIZCTEOSA-N 1 0 434.628 -0.035 20 0 IBADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000561459319 1072279620 /nfs/dbraw/zinc/27/96/20/1072279620.db2.gz ORJROFMWDZDVCX-MRXNPFEDSA-N 1 0 434.628 -0.035 20 0 IBADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561459330 1072279779 /nfs/dbraw/zinc/27/97/79/1072279779.db2.gz IWOGETBOHYYEJR-UHFFFAOYSA-N 1 0 432.568 -0.335 20 0 IBADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000561460288 1072280337 /nfs/dbraw/zinc/28/03/37/1072280337.db2.gz YOCKKPOYHLJXQQ-UHFFFAOYSA-N 1 0 436.600 -0.950 20 0 IBADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000561474048 1072280767 /nfs/dbraw/zinc/28/07/67/1072280767.db2.gz MGZNCYUOTPTWGG-IBGZPJMESA-N 1 0 436.601 -0.811 20 0 IBADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000561474049 1072280913 /nfs/dbraw/zinc/28/09/13/1072280913.db2.gz MGZNCYUOTPTWGG-LJQANCHMSA-N 1 0 436.601 -0.811 20 0 IBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000561476635 1072281411 /nfs/dbraw/zinc/28/14/11/1072281411.db2.gz WMBMGRYKLAKINU-UHFFFAOYSA-N 1 0 440.566 -0.319 20 0 IBADRO CC[NH+]1CCC(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000561487839 1072281666 /nfs/dbraw/zinc/28/16/66/1072281666.db2.gz AWIFJLFVJIYFEP-UHFFFAOYSA-N 1 0 431.541 -0.520 20 0 IBADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 ZINC000561488284 1072281481 /nfs/dbraw/zinc/28/14/81/1072281481.db2.gz MDLHEZZXVUUGKO-UHFFFAOYSA-N 1 0 432.587 -0.267 20 0 IBADRO CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000561497957 1072281884 /nfs/dbraw/zinc/28/18/84/1072281884.db2.gz ISFQJFFBXDWUCD-QGZVFWFLSA-N 1 0 439.586 -0.097 20 0 IBADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000561554135 1072284248 /nfs/dbraw/zinc/28/42/48/1072284248.db2.gz HANMTGYJUCKXFU-UHFFFAOYSA-N 1 0 428.497 -0.174 20 0 IBADRO C[NH+]1CCN(CCCNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000561556904 1072284052 /nfs/dbraw/zinc/28/40/52/1072284052.db2.gz ZJKNQRNRRGHNCT-UHFFFAOYSA-N 1 0 426.539 -0.120 20 0 IBADRO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)C1 ZINC000561571487 1072284762 /nfs/dbraw/zinc/28/47/62/1072284762.db2.gz AZGJBWSRLRXZQM-HSALFYBXSA-N 1 0 438.569 -0.354 20 0 IBADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)C1 ZINC000561571490 1072284646 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ZINC000561967829 1072301119 /nfs/dbraw/zinc/30/11/19/1072301119.db2.gz IXFKLXHYXDWZLY-DOTOQJQBSA-N 1 0 430.571 -0.348 20 0 IBADRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000561967834 1072301190 /nfs/dbraw/zinc/30/11/90/1072301190.db2.gz IXFKLXHYXDWZLY-NVXWUHKLSA-N 1 0 430.571 -0.348 20 0 IBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000561967836 1072301010 /nfs/dbraw/zinc/30/10/10/1072301010.db2.gz IXFKLXHYXDWZLY-RDJZCZTQSA-N 1 0 430.571 -0.348 20 0 IBADRO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000561967838 1072301041 /nfs/dbraw/zinc/30/10/41/1072301041.db2.gz IXFKLXHYXDWZLY-WBVHZDCISA-N 1 0 430.571 -0.348 20 0 IBADRO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000561972396 1072301169 /nfs/dbraw/zinc/30/11/69/1072301169.db2.gz PIBYWYREFMLOSP-INIZCTEOSA-N 1 0 429.521 -0.428 20 0 IBADRO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000561972397 1072300987 /nfs/dbraw/zinc/30/09/87/1072300987.db2.gz PIBYWYREFMLOSP-MRXNPFEDSA-N 1 0 429.521 -0.428 20 0 IBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000561994809 1072301801 /nfs/dbraw/zinc/30/18/01/1072301801.db2.gz TVMORZLEXKSHGI-HKUYNNGSSA-N 1 0 437.585 -0.195 20 0 IBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000561994810 1072302362 /nfs/dbraw/zinc/30/23/62/1072302362.db2.gz TVMORZLEXKSHGI-IEBWSBKVSA-N 1 0 437.585 -0.195 20 0 IBADRO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000561994811 1072302408 /nfs/dbraw/zinc/30/24/08/1072302408.db2.gz TVMORZLEXKSHGI-MJGOQNOKSA-N 1 0 437.585 -0.195 20 0 IBADRO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000561994812 1072302120 /nfs/dbraw/zinc/30/21/20/1072302120.db2.gz TVMORZLEXKSHGI-PKOBYXMFSA-N 1 0 437.585 -0.195 20 0 IBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cn1C 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ZINC000562001135 1072302156 /nfs/dbraw/zinc/30/21/56/1072302156.db2.gz HBLVMVOYWRXWDS-GOEBONIOSA-N 1 0 426.539 -0.174 20 0 IBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000562001136 1072302259 /nfs/dbraw/zinc/30/22/59/1072302259.db2.gz HBLVMVOYWRXWDS-HOCLYGCPSA-N 1 0 426.539 -0.174 20 0 IBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000562001139 1072302281 /nfs/dbraw/zinc/30/22/81/1072302281.db2.gz HBLVMVOYWRXWDS-ZBFHGGJFSA-N 1 0 426.539 -0.174 20 0 IBADRO CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000562010187 1072303699 /nfs/dbraw/zinc/30/36/99/1072303699.db2.gz JGATWYUXPKDHAC-KRWDZBQOSA-N 1 0 439.582 -0.401 20 0 IBADRO CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000562010188 1072303761 /nfs/dbraw/zinc/30/37/61/1072303761.db2.gz JGATWYUXPKDHAC-QGZVFWFLSA-N 1 0 439.582 -0.401 20 0 IBADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000562010563 1072303426 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C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000577702887 1073307156 /nfs/dbraw/zinc/30/71/56/1073307156.db2.gz QLESAWAZDWPTCP-UHFFFAOYSA-N 1 0 429.525 0.139 20 0 IBADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1F ZINC000577716480 1072548541 /nfs/dbraw/zinc/54/85/41/1072548541.db2.gz YRSQQTDFEVBZTM-UHFFFAOYSA-N 1 0 433.484 -0.547 20 0 IBADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCCNC(=O)c2cnccn2)c2ccccc2)CC1 ZINC000577728797 1072548558 /nfs/dbraw/zinc/54/85/58/1072548558.db2.gz SABXCWXQGCFAQU-IBGZPJMESA-N 1 0 439.520 -0.573 20 0 IBADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCCNC(=O)c2cnccn2)c2ccccc2)CC1 ZINC000577728799 1072548649 /nfs/dbraw/zinc/54/86/49/1072548649.db2.gz SABXCWXQGCFAQU-LJQANCHMSA-N 1 0 439.520 -0.573 20 0 IBADRO CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000577739251 1072548590 /nfs/dbraw/zinc/54/85/90/1072548590.db2.gz AADCBVQTJXVBAB-UHFFFAOYSA-N 1 0 439.538 -0.590 20 0 IBADRO CC[N@H+](CCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000577753157 1072549506 /nfs/dbraw/zinc/54/95/06/1072549506.db2.gz QDEXKEMWFJDLJP-UHFFFAOYSA-N 1 0 438.550 -0.076 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2ccccc2F)cn1 ZINC000577787794 1072550426 /nfs/dbraw/zinc/55/04/26/1072550426.db2.gz DSSRGRUYSCFGFA-UHFFFAOYSA-N 1 0 426.474 -0.383 20 0 IBADRO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000577790372 1072550458 /nfs/dbraw/zinc/55/04/58/1072550458.db2.gz CSGZYSSRQIXWOV-UHFFFAOYSA-N 1 0 446.556 -0.494 20 0 IBADRO Cn1cnc(NC(=O)C(=O)N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000577873071 1073310402 /nfs/dbraw/zinc/31/04/02/1073310402.db2.gz NICYYCRRJRBEQW-UHFFFAOYSA-N 1 0 427.509 0.240 20 0 IBADRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000577875652 1072552166 /nfs/dbraw/zinc/55/21/66/1072552166.db2.gz SMJIWTHTVRBACL-GOSISDBHSA-N 1 0 431.537 -0.206 20 0 IBADRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000577875653 1072552207 /nfs/dbraw/zinc/55/22/07/1072552207.db2.gz SMJIWTHTVRBACL-SFHVURJKSA-N 1 0 431.537 -0.206 20 0 IBADRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000577900435 1072552865 /nfs/dbraw/zinc/55/28/65/1072552865.db2.gz VAYXUPNVXJZXCI-KRWDZBQOSA-N 1 0 431.541 -0.426 20 0 IBADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000577900436 1072552673 /nfs/dbraw/zinc/55/26/73/1072552673.db2.gz VAYXUPNVXJZXCI-QGZVFWFLSA-N 1 0 431.541 -0.426 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000577909676 1072553411 /nfs/dbraw/zinc/55/34/11/1072553411.db2.gz YKKLTDQQSLCYHF-INIZCTEOSA-N 1 0 447.540 -0.956 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000577909677 1072553145 /nfs/dbraw/zinc/55/31/45/1072553145.db2.gz YKKLTDQQSLCYHF-MRXNPFEDSA-N 1 0 447.540 -0.956 20 0 IBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1=O ZINC000577912919 1072553311 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CSFFZTSPNRFVQP-LJQANCHMSA-N 1 0 434.537 -0.197 20 0 IBADRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000577981279 1072554551 /nfs/dbraw/zinc/55/45/51/1072554551.db2.gz KUAWDRZQLMCUNH-HNNXBMFYSA-N 1 0 440.632 -0.234 20 0 IBADRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000577981280 1072554369 /nfs/dbraw/zinc/55/43/69/1072554369.db2.gz KUAWDRZQLMCUNH-OAHLLOKOSA-N 1 0 440.632 -0.234 20 0 IBADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)ncn1 ZINC000578000785 1072554995 /nfs/dbraw/zinc/55/49/95/1072554995.db2.gz HUBRXYVSXWBIRW-AEFFLSMTSA-N 1 0 445.568 -0.172 20 0 IBADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)C2)ncn1 ZINC000578000789 1072555102 /nfs/dbraw/zinc/55/51/02/1072555102.db2.gz HUBRXYVSXWBIRW-FUHWJXTLSA-N 1 0 445.568 -0.172 20 0 IBADRO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)C2)ncn1 ZINC000578000790 1072555081 /nfs/dbraw/zinc/55/50/81/1072555081.db2.gz 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-0.101 20 0 IBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)cn2)CC1 ZINC000578086980 1072556153 /nfs/dbraw/zinc/55/61/53/1072556153.db2.gz WRCNZNMEITVHLJ-KRWDZBQOSA-N 1 0 429.525 -0.488 20 0 IBADRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)cn2)CC1 ZINC000578086981 1072556203 /nfs/dbraw/zinc/55/62/03/1072556203.db2.gz WRCNZNMEITVHLJ-QGZVFWFLSA-N 1 0 429.525 -0.488 20 0 IBADRO Cn1cc(S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000578087029 1072556141 /nfs/dbraw/zinc/55/61/41/1072556141.db2.gz YTFWOOREJCPYSR-HNNXBMFYSA-N 1 0 430.571 -0.034 20 0 IBADRO Cn1cc(S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000578087030 1072556215 /nfs/dbraw/zinc/55/62/15/1072556215.db2.gz YTFWOOREJCPYSR-OAHLLOKOSA-N 1 0 430.571 -0.034 20 0 IBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000578087110 1072556297 /nfs/dbraw/zinc/55/62/97/1072556297.db2.gz BMHBKWFGJBBTJJ-IBGZPJMESA-N 1 0 431.537 -0.850 20 0 IBADRO CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000578087111 1072556177 /nfs/dbraw/zinc/55/61/77/1072556177.db2.gz BMHBKWFGJBBTJJ-LJQANCHMSA-N 1 0 431.537 -0.850 20 0 IBADRO CNC(=O)Cn1cnc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000578093723 1072556285 /nfs/dbraw/zinc/55/62/85/1072556285.db2.gz PUJYSCLOAYLRBO-UHFFFAOYSA-N 1 0 427.509 0.511 20 0 IBADRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C[C@H]2CO)cn1 ZINC000578095541 1072556759 /nfs/dbraw/zinc/55/67/59/1072556759.db2.gz TVADXDHRQRGNNZ-ROUUACIJSA-N 1 0 430.509 -0.394 20 0 IBADRO C[C@H]1CN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000578123439 1072556878 /nfs/dbraw/zinc/55/68/78/1072556878.db2.gz ATOFNSHBIPYGEV-AZUAARDMSA-N 1 0 444.580 -0.317 20 0 IBADRO C[C@H]1CN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000578123440 1072556718 /nfs/dbraw/zinc/55/67/18/1072556718.db2.gz ATOFNSHBIPYGEV-ICSRJNTNSA-N 1 0 444.580 -0.317 20 0 IBADRO C[C@@H]1CN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000578123441 1072556933 /nfs/dbraw/zinc/55/69/33/1072556933.db2.gz ATOFNSHBIPYGEV-QUCCMNQESA-N 1 0 444.580 -0.317 20 0 IBADRO C[C@@H]1CN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000578123442 1072556649 /nfs/dbraw/zinc/55/66/49/1072556649.db2.gz ATOFNSHBIPYGEV-UYAOXDASSA-N 1 0 444.580 -0.317 20 0 IBADRO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)s1 ZINC000578148252 1072557156 /nfs/dbraw/zinc/55/71/56/1072557156.db2.gz BTJIBMVUJDNDHI-UHFFFAOYSA-N 1 0 445.611 -0.405 20 0 IBADRO COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000578153553 1072557875 /nfs/dbraw/zinc/55/78/75/1072557875.db2.gz GCLMQNDHZNAUDK-UHFFFAOYSA-N 1 0 438.550 -0.004 20 0 IBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000578158681 1072557830 /nfs/dbraw/zinc/55/78/30/1072557830.db2.gz IDKLRYUIMKOERN-FQEVSTJZSA-N 1 0 445.564 -0.462 20 0 IBADRO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000578158682 1072557959 /nfs/dbraw/zinc/55/79/59/1072557959.db2.gz IDKLRYUIMKOERN-HXUWFJFHSA-N 1 0 445.564 -0.462 20 0 IBADRO O=C(CN1CCN(C(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1)NC1CC1 ZINC000578158983 1072557973 /nfs/dbraw/zinc/55/79/73/1072557973.db2.gz UBWHKQYAIHKMAN-UHFFFAOYSA-N 1 0 449.596 -0.192 20 0 IBADRO C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578159442 1072557735 /nfs/dbraw/zinc/55/77/35/1072557735.db2.gz GGCLQNVDISKQFC-MOPGFXCFSA-N 1 0 449.596 -0.241 20 0 IBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578159443 1072557991 /nfs/dbraw/zinc/55/79/91/1072557991.db2.gz GGCLQNVDISKQFC-OALUTQOASA-N 1 0 449.596 -0.241 20 0 IBADRO C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578159444 1072557918 /nfs/dbraw/zinc/55/79/18/1072557918.db2.gz GGCLQNVDISKQFC-RBUKOAKNSA-N 1 0 449.596 -0.241 20 0 IBADRO 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IBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000582214032 1071078385 /nfs/dbraw/zinc/07/83/85/1071078385.db2.gz PYAAXAFHHFVIPS-UHFFFAOYSA-N 1 0 432.591 -0.547 20 0 IBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000582247061 1071079178 /nfs/dbraw/zinc/07/91/78/1071079178.db2.gz AMLMRIGCFGQXOF-GOSISDBHSA-N 1 0 447.584 -0.174 20 0 IBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000582247062 1071078865 /nfs/dbraw/zinc/07/88/65/1071078865.db2.gz AMLMRIGCFGQXOF-SFHVURJKSA-N 1 0 447.584 -0.174 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2COc3ccc(F)cc3C2)cn1 ZINC000582265794 1071079535 /nfs/dbraw/zinc/07/95/35/1071079535.db2.gz QVERNWKMWYJTFF-HNNXBMFYSA-N 1 0 432.456 -0.242 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2COc3ccc(F)cc3C2)cn1 ZINC000582265795 1071079690 /nfs/dbraw/zinc/07/96/90/1071079690.db2.gz QVERNWKMWYJTFF-OAHLLOKOSA-N 1 0 432.456 -0.242 20 0 IBADRO 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IFQKUJTUVCJFGM-UHFFFAOYSA-N 1 0 437.570 0.173 20 0 IBADRO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000583328929 1071159866 /nfs/dbraw/zinc/15/98/66/1071159866.db2.gz MFPDEYAUFFJEFP-UHFFFAOYSA-N 1 0 443.501 -0.480 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000583339873 1071160394 /nfs/dbraw/zinc/16/03/94/1071160394.db2.gz IPDQDWSODITVJZ-GOSISDBHSA-N 1 0 427.505 -0.325 20 0 IBADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000583339874 1071160369 /nfs/dbraw/zinc/16/03/69/1071160369.db2.gz IPDQDWSODITVJZ-SFHVURJKSA-N 1 0 427.505 -0.325 20 0 IBADRO CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000583342265 1071160560 /nfs/dbraw/zinc/16/05/60/1071160560.db2.gz XRNCOHLAZOEXBZ-MSOLQXFVSA-N 1 0 429.521 -0.255 20 0 IBADRO CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000583342266 1071160517 /nfs/dbraw/zinc/16/05/17/1071160517.db2.gz XRNCOHLAZOEXBZ-QZTJIDSGSA-N 1 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IBADRO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000583408717 1071164015 /nfs/dbraw/zinc/16/40/15/1071164015.db2.gz KMNBKYFPBJWVDP-ROUUACIJSA-N 1 0 445.568 -0.247 20 0 IBADRO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000583408718 1071163815 /nfs/dbraw/zinc/16/38/15/1071163815.db2.gz KMNBKYFPBJWVDP-ZWKOTPCHSA-N 1 0 445.568 -0.247 20 0 IBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)CCN2C1=O ZINC000583451940 1071166299 /nfs/dbraw/zinc/16/62/99/1071166299.db2.gz NSBSOBGTKXBJJG-FRFSOERESA-N 1 0 426.477 -0.693 20 0 IBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)CCN2C1=O ZINC000583451941 1071166335 /nfs/dbraw/zinc/16/63/35/1071166335.db2.gz NSBSOBGTKXBJJG-LXZKKBNFSA-N 1 0 426.477 -0.693 20 0 IBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)CCN2C1=O ZINC000583451942 1071166324 /nfs/dbraw/zinc/16/63/24/1071166324.db2.gz NSBSOBGTKXBJJG-UNEWFSDZSA-N 1 0 426.477 -0.693 20 0 IBADRO [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)CCN2C1=O ZINC000583451943 1071165973 /nfs/dbraw/zinc/16/59/73/1071165973.db2.gz NSBSOBGTKXBJJG-YSVLISHTSA-N 1 0 426.477 -0.693 20 0 IBADRO C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C1=CC[N@H+](C)CC1 ZINC000583467539 1071168583 /nfs/dbraw/zinc/16/85/83/1071168583.db2.gz DUXDPVPWIMDRAN-AWEZNQCLSA-N 1 0 425.511 -0.585 20 0 IBADRO C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C1=CC[N@H+](C)CC1 ZINC000583467540 1071168744 /nfs/dbraw/zinc/16/87/44/1071168744.db2.gz DUXDPVPWIMDRAN-CQSZACIVSA-N 1 0 425.511 -0.585 20 0 IBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000583488341 1071168781 /nfs/dbraw/zinc/16/87/81/1071168781.db2.gz KNGPEXAPUHMIDQ-DLBZAZTESA-N 1 0 426.539 -0.046 20 0 IBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000583488342 1071168684 /nfs/dbraw/zinc/16/86/84/1071168684.db2.gz KNGPEXAPUHMIDQ-IAGOWNOFSA-N 1 0 426.539 -0.046 20 0 IBADRO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000583488343 1071169395 /nfs/dbraw/zinc/16/93/95/1071169395.db2.gz KNGPEXAPUHMIDQ-IRXDYDNUSA-N 1 0 426.539 -0.046 20 0 IBADRO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000583488344 1071169417 /nfs/dbraw/zinc/16/94/17/1071169417.db2.gz KNGPEXAPUHMIDQ-SJORKVTESA-N 1 0 426.539 -0.046 20 0 IBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000583506398 1072497150 /nfs/dbraw/zinc/49/71/50/1072497150.db2.gz AYNPGGRHHSEERL-FQEVSTJZSA-N 1 0 434.537 -0.202 20 0 IBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000583506399 1071170272 /nfs/dbraw/zinc/17/02/72/1071170272.db2.gz AYNPGGRHHSEERL-HXUWFJFHSA-N 1 0 434.537 -0.202 20 0 IBADRO Cn1c(CN2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)[C@@H]3CCCC[C@H]32)cc(=O)n(C)c1=O ZINC000583513773 1071170431 /nfs/dbraw/zinc/17/04/31/1071170431.db2.gz WIEQWUUGNHWGEP-QZTJIDSGSA-N 1 0 444.536 -0.890 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000583527444 1071171674 /nfs/dbraw/zinc/17/16/74/1071171674.db2.gz DCJBRLBELIPFPO-GOSISDBHSA-N 1 0 447.584 -0.174 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000583527445 1071171785 /nfs/dbraw/zinc/17/17/85/1071171785.db2.gz DCJBRLBELIPFPO-SFHVURJKSA-N 1 0 447.584 -0.174 20 0 IBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCc3ccncc3OCC[NH+](C)C)cnc21 ZINC000583569345 1071173598 /nfs/dbraw/zinc/17/35/98/1071173598.db2.gz WVMPNXMSGJBKTL-UHFFFAOYSA-N 1 0 434.478 -0.152 20 0 IBADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000583589394 1071174506 /nfs/dbraw/zinc/17/45/06/1071174506.db2.gz QZTUBPKTOWZQSM-UHFFFAOYSA-N 1 0 429.543 -0.209 20 0 IBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000583622260 1071180837 /nfs/dbraw/zinc/18/08/37/1071180837.db2.gz BONPXOFUBJEZPQ-AHRSYUTCSA-N 1 0 449.596 -0.318 20 0 IBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000583622261 1071180646 /nfs/dbraw/zinc/18/06/46/1071180646.db2.gz BONPXOFUBJEZPQ-LSTHTHJFSA-N 1 0 449.596 -0.318 20 0 IBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000583622262 1071180581 /nfs/dbraw/zinc/18/05/81/1071180581.db2.gz BONPXOFUBJEZPQ-NSISKUIASA-N 1 0 449.596 -0.318 20 0 IBADRO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000583622263 1071180496 /nfs/dbraw/zinc/18/04/96/1071180496.db2.gz BONPXOFUBJEZPQ-UXPWSPDFSA-N 1 0 449.596 -0.318 20 0 IBADRO C[C@H](Cn1cncn1)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000583634893 1071184938 /nfs/dbraw/zinc/18/49/38/1071184938.db2.gz LHMCCRDXQMMVJU-CRAIPNDOSA-N 1 0 427.509 -0.204 20 0 IBADRO C[C@@H](Cn1cncn1)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000583634894 1071184632 /nfs/dbraw/zinc/18/46/32/1071184632.db2.gz LHMCCRDXQMMVJU-MAUKXSAKSA-N 1 0 427.509 -0.204 20 0 IBADRO C[C@H](Cn1cncn1)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000583634895 1071184898 /nfs/dbraw/zinc/18/48/98/1071184898.db2.gz LHMCCRDXQMMVJU-QAPCUYQASA-N 1 0 427.509 -0.204 20 0 IBADRO C[C@@H](Cn1cncn1)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000583634896 1071184676 /nfs/dbraw/zinc/18/46/76/1071184676.db2.gz LHMCCRDXQMMVJU-YJBOKZPZSA-N 1 0 427.509 -0.204 20 0 IBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000583642134 1071186554 /nfs/dbraw/zinc/18/65/54/1071186554.db2.gz PWXYRGCVQROHAI-AEFFLSMTSA-N 1 0 435.550 -0.928 20 0 IBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000583642135 1071186601 /nfs/dbraw/zinc/18/66/01/1071186601.db2.gz PWXYRGCVQROHAI-FUHWJXTLSA-N 1 0 435.550 -0.928 20 0 IBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000583642136 1071186454 /nfs/dbraw/zinc/18/64/54/1071186454.db2.gz PWXYRGCVQROHAI-SJLPKXTDSA-N 1 0 435.550 -0.928 20 0 IBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000583642137 1071186490 /nfs/dbraw/zinc/18/64/90/1071186490.db2.gz PWXYRGCVQROHAI-WMZOPIPTSA-N 1 0 435.550 -0.928 20 0 IBADRO COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000583658334 1071195312 /nfs/dbraw/zinc/19/53/12/1071195312.db2.gz VLPQFUWNEMCLKD-IBGZPJMESA-N 1 0 437.585 -0.241 20 0 IBADRO COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000583658335 1071195361 /nfs/dbraw/zinc/19/53/61/1071195361.db2.gz VLPQFUWNEMCLKD-LJQANCHMSA-N 1 0 437.585 -0.241 20 0 IBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000583707584 1071197487 /nfs/dbraw/zinc/19/74/87/1071197487.db2.gz HXJMHZXQXKAYHE-IBGZPJMESA-N 1 0 432.554 -0.435 20 0 IBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000583707585 1071197353 /nfs/dbraw/zinc/19/73/53/1071197353.db2.gz HXJMHZXQXKAYHE-LJQANCHMSA-N 1 0 432.554 -0.435 20 0 IBADRO 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CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000583893037 1071206433 /nfs/dbraw/zinc/20/64/33/1071206433.db2.gz GQHRERJAPZGOSQ-QZTJIDSGSA-N 1 0 425.574 -0.338 20 0 IBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000583893038 1071206325 /nfs/dbraw/zinc/20/63/25/1071206325.db2.gz GQHRERJAPZGOSQ-ROUUACIJSA-N 1 0 425.574 -0.338 20 0 IBADRO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000583893039 1071206373 /nfs/dbraw/zinc/20/63/73/1071206373.db2.gz GQHRERJAPZGOSQ-ZWKOTPCHSA-N 1 0 425.574 -0.338 20 0 IBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000583894070 1071206274 /nfs/dbraw/zinc/20/62/74/1071206274.db2.gz CPIGEFXOXMZZJS-BZSNNMDCSA-N 1 0 444.598 -0.199 20 0 IBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000583894071 1071206514 /nfs/dbraw/zinc/20/65/14/1071206514.db2.gz CPIGEFXOXMZZJS-KSZLIROESA-N 1 0 444.598 -0.199 20 0 IBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000583894072 1071206398 /nfs/dbraw/zinc/20/63/98/1071206398.db2.gz CPIGEFXOXMZZJS-OKZBNKHCSA-N 1 0 444.598 -0.199 20 0 IBADRO CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000583894073 1071206239 /nfs/dbraw/zinc/20/62/39/1071206239.db2.gz CPIGEFXOXMZZJS-RCCFBDPRSA-N 1 0 444.598 -0.199 20 0 IBADRO CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000583902644 1071206919 /nfs/dbraw/zinc/20/69/19/1071206919.db2.gz JKAUAGSEMVVIQN-UHFFFAOYSA-N 1 0 441.554 -0.094 20 0 IBADRO CN(CCN1CCOCC1)C(=O)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000583952184 1071207984 /nfs/dbraw/zinc/20/79/84/1071207984.db2.gz KPFAWXZRDQLPTK-UHFFFAOYSA-N 1 0 433.557 -0.714 20 0 IBADRO Cn1cc(CN2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)CC2)cn1 ZINC000583956966 1071207682 /nfs/dbraw/zinc/20/76/82/1071207682.db2.gz DOMWAWZGFITHND-PMACEKPBSA-N 1 0 432.569 -0.052 20 0 IBADRO 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[NH3+][C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000584005024 1071210961 /nfs/dbraw/zinc/21/09/61/1071210961.db2.gz FSFFUAYHSIIONG-OCCSQVGLSA-N 1 0 445.339 -0.112 20 0 IBADRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000584005025 1071210932 /nfs/dbraw/zinc/21/09/32/1071210932.db2.gz FSFFUAYHSIIONG-TZMCWYRMSA-N 1 0 445.339 -0.112 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000584008425 1071211864 /nfs/dbraw/zinc/21/18/64/1071211864.db2.gz QUASLQRRVZZQPK-NRFANRHFSA-N 1 0 445.564 -0.196 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](CNC(C)=O)C3)cc2)CC1 ZINC000584008426 1071211807 /nfs/dbraw/zinc/21/18/07/1071211807.db2.gz QUASLQRRVZZQPK-OAQYLSRUSA-N 1 0 445.564 -0.196 20 0 IBADRO CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)C1=O ZINC000584015813 1071212002 /nfs/dbraw/zinc/21/20/02/1071212002.db2.gz YDLIKIMYIRCTBH-FOIQADDNSA-N 1 0 435.525 -0.587 20 0 IBADRO 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O=C(NC[C@]1(N2CCOCC2)CCSC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000584059164 1071214131 /nfs/dbraw/zinc/21/41/31/1071214131.db2.gz DLYVWGTVUSRNSF-WAOWUJCRSA-N 1 0 440.610 -0.196 20 0 IBADRO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)n1 ZINC000584060588 1071214245 /nfs/dbraw/zinc/21/42/45/1071214245.db2.gz UZZLIFBVBYTZBA-GOSISDBHSA-N 1 0 445.568 -0.199 20 0 IBADRO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC000584060589 1071214396 /nfs/dbraw/zinc/21/43/96/1071214396.db2.gz UZZLIFBVBYTZBA-SFHVURJKSA-N 1 0 445.568 -0.199 20 0 IBADRO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000584067273 1071214356 /nfs/dbraw/zinc/21/43/56/1071214356.db2.gz KKILNMQNERXQKZ-KRWDZBQOSA-N 1 0 428.555 -0.618 20 0 IBADRO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000584067274 1071214155 /nfs/dbraw/zinc/21/41/55/1071214155.db2.gz KKILNMQNERXQKZ-QGZVFWFLSA-N 1 0 428.555 -0.618 20 0 IBADRO 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COc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1-n1cnnn1 ZINC000608519697 1072398751 /nfs/dbraw/zinc/39/87/51/1072398751.db2.gz JQLVTECPJSTKDO-MRXNPFEDSA-N 1 0 428.497 -0.152 20 0 IBADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cn2)CC1 ZINC000608521270 1072398685 /nfs/dbraw/zinc/39/86/85/1072398685.db2.gz XXJHZMMWKFGIAU-HNNXBMFYSA-N 1 0 436.538 -0.545 20 0 IBADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cn2)CC1 ZINC000608521271 1072398822 /nfs/dbraw/zinc/39/88/22/1072398822.db2.gz XXJHZMMWKFGIAU-OAHLLOKOSA-N 1 0 436.538 -0.545 20 0 IBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)CC2 ZINC000608521887 1072398721 /nfs/dbraw/zinc/39/87/21/1072398721.db2.gz XAGKARYKUQYZBE-UHFFFAOYSA-N 1 0 437.566 -0.372 20 0 IBADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cn2)CC1 ZINC000608532377 1072397740 /nfs/dbraw/zinc/39/77/40/1072397740.db2.gz SZTSDUPSGUUMPU-KRWDZBQOSA-N 1 0 448.549 -0.426 20 0 IBADRO CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cn2)CC1 ZINC000608532381 1072397720 /nfs/dbraw/zinc/39/77/20/1072397720.db2.gz SZTSDUPSGUUMPU-QGZVFWFLSA-N 1 0 448.549 -0.426 20 0 IBADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000608628954 1072400949 /nfs/dbraw/zinc/40/09/49/1072400949.db2.gz BLTKLUVEBVXILT-UHFFFAOYSA-N 1 0 428.559 -0.142 20 0 IBADRO CN1CCC(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)([NH+]2CCCCC2)CC1 ZINC000608661063 1072401541 /nfs/dbraw/zinc/40/15/41/1072401541.db2.gz HHLBMDXBAJUMGU-UHFFFAOYSA-N 1 0 444.646 -0.187 20 0 IBADRO CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000608661184 1072401590 /nfs/dbraw/zinc/40/15/90/1072401590.db2.gz MULNDAJEZAQZKM-UHFFFAOYSA-N 1 0 431.603 -0.150 20 0 IBADRO COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(C(=O)OC)s1 ZINC000608834225 1072403878 /nfs/dbraw/zinc/40/38/78/1072403878.db2.gz OEPDRXUNYMKACN-UHFFFAOYSA-N 1 0 433.508 -0.284 20 0 IBADRO C[C@@H]1C[NH+](CC2CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)O1 ZINC000608864641 1072403847 /nfs/dbraw/zinc/40/38/47/1072403847.db2.gz RPJUJARWAGBKAJ-BFYDXBDKSA-N 1 0 430.571 -0.180 20 0 IBADRO C[C@@H]1C[N@@H+](CC2CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C[C@H](C)O1 ZINC000608864654 1072403836 /nfs/dbraw/zinc/40/38/36/1072403836.db2.gz RPJUJARWAGBKAJ-HLLBOEOZSA-N 1 0 430.571 -0.180 20 0 IBADRO C[C@@H]1C[NH+](CC2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)O1 ZINC000608864655 1072403907 /nfs/dbraw/zinc/40/39/07/1072403907.db2.gz RPJUJARWAGBKAJ-INMHGKMJSA-N 1 0 430.571 -0.180 20 0 IBADRO C[C@@H]1C[N@@H+](CC2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C[C@H](C)O1 ZINC000608864656 1072403919 /nfs/dbraw/zinc/40/39/19/1072403919.db2.gz RPJUJARWAGBKAJ-UXLLHSPISA-N 1 0 430.571 -0.180 20 0 IBADRO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cnc21 ZINC000609134456 1072551222 /nfs/dbraw/zinc/55/12/22/1072551222.db2.gz FTRXUFAIEWLZQT-UHFFFAOYSA-N 1 0 441.510 -0.072 20 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CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@H]2C[N@H+](C)CCN2C)o1 ZINC000609530558 1072967222 /nfs/dbraw/zinc/96/72/22/1072967222.db2.gz KEMHKIPGTKYMCD-LSDHHAIUSA-N 1 0 442.538 -0.029 20 0 IBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000609690368 1072971545 /nfs/dbraw/zinc/97/15/45/1072971545.db2.gz BRWATPAJNQEWNP-UHFFFAOYSA-N 1 0 434.493 -0.167 20 0 IBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000609690507 1072971617 /nfs/dbraw/zinc/97/16/17/1072971617.db2.gz NHNCJKZBSNVWCQ-GOSISDBHSA-N 1 0 445.520 -0.234 20 0 IBADRO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000609690508 1072971597 /nfs/dbraw/zinc/97/15/97/1072971597.db2.gz NHNCJKZBSNVWCQ-SFHVURJKSA-N 1 0 445.520 -0.234 20 0 IBADRO COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)C1 ZINC000609811758 1072975746 /nfs/dbraw/zinc/97/57/46/1072975746.db2.gz RSFBZAFOLCUQGF-AWEZNQCLSA-N 1 0 440.522 -0.123 20 0 IBADRO COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)C1 ZINC000609811759 1072975786 /nfs/dbraw/zinc/97/57/86/1072975786.db2.gz RSFBZAFOLCUQGF-CQSZACIVSA-N 1 0 440.522 -0.123 20 0 IBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2O1 ZINC000609848550 1072976209 /nfs/dbraw/zinc/97/62/09/1072976209.db2.gz COERHJXBFUEKFB-PBHICJAKSA-N 1 0 432.477 -0.343 20 0 IBADRO COC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2O1 ZINC000609848551 1072976344 /nfs/dbraw/zinc/97/63/44/1072976344.db2.gz COERHJXBFUEKFB-RHSMWYFYSA-N 1 0 432.477 -0.343 20 0 IBADRO COC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2O1 ZINC000609848552 1072976279 /nfs/dbraw/zinc/97/62/79/1072976279.db2.gz COERHJXBFUEKFB-WMLDXEAASA-N 1 0 432.477 -0.343 20 0 IBADRO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2O1 ZINC000609848553 1072976294 /nfs/dbraw/zinc/97/62/94/1072976294.db2.gz COERHJXBFUEKFB-YOEHRIQHSA-N 1 0 432.477 -0.343 20 0 IBADRO 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CS(=O)(=O)NC1CC(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000669859140 1072481896 /nfs/dbraw/zinc/48/18/96/1072481896.db2.gz XXFKVRLBVUJINP-UHFFFAOYSA-N 1 0 425.559 -0.242 20 0 IBADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000670017611 1072607172 /nfs/dbraw/zinc/60/71/72/1072607172.db2.gz DUGMAUMZHGOQPF-KRWDZBQOSA-N 1 0 429.587 -0.398 20 0 IBADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000670017612 1072607119 /nfs/dbraw/zinc/60/71/19/1072607119.db2.gz DUGMAUMZHGOQPF-QGZVFWFLSA-N 1 0 429.587 -0.398 20 0 IBADRO CS(=O)(=O)NC1CC(NC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)C1 ZINC000670149560 1072676139 /nfs/dbraw/zinc/67/61/39/1072676139.db2.gz WDYAMEHJQGLWKB-FOIPXRHGSA-N 1 0 435.550 -0.035 20 0 IBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670178225 1072689868 /nfs/dbraw/zinc/68/98/68/1072689868.db2.gz FWIZMQZYWRASKM-JCYILVPMSA-N 1 0 425.555 -0.345 20 0 IBADRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)ccc2oc1=O ZINC000670228302 1072718032 /nfs/dbraw/zinc/71/80/32/1072718032.db2.gz PMHJGKMEBSASEJ-UHFFFAOYSA-N 1 0 439.494 -0.709 20 0 IBADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)cc2)CC1 ZINC000670228560 1072718045 /nfs/dbraw/zinc/71/80/45/1072718045.db2.gz HHEWYQIVTVCQQF-UHFFFAOYSA-N 1 0 437.566 -0.041 20 0 IBADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1 ZINC000670228925 1072717581 /nfs/dbraw/zinc/71/75/81/1072717581.db2.gz GRQAYSXEEJMWGN-UHFFFAOYSA-N 1 0 425.511 -0.288 20 0 IBADRO COc1ccc2c(c1)OCCN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C2 ZINC000670248013 1073043938 /nfs/dbraw/zinc/04/39/38/1073043938.db2.gz WVDAYMILNKVXAR-UHFFFAOYSA-N 1 0 444.492 -0.071 20 0 IBADRO O=C(NC[C@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC(=O)N1 ZINC000670400497 1072785433 /nfs/dbraw/zinc/78/54/33/1072785433.db2.gz GMIKSUAUUVTNPF-DRSNIGMVSA-N 1 0 427.505 -0.579 20 0 IBADRO O=C(NC[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC(=O)N1 ZINC000670400498 1072785389 /nfs/dbraw/zinc/78/53/89/1072785389.db2.gz GMIKSUAUUVTNPF-HYFFOGBASA-N 1 0 427.505 -0.579 20 0 IBADRO O=C(NC[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC(=O)N1 ZINC000670400499 1072785161 /nfs/dbraw/zinc/78/51/61/1072785161.db2.gz GMIKSUAUUVTNPF-JLHGSKIFSA-N 1 0 427.505 -0.579 20 0 IBADRO O=C(NC[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC(=O)N1 ZINC000670400500 1072785226 /nfs/dbraw/zinc/78/52/26/1072785226.db2.gz GMIKSUAUUVTNPF-YVHKJVDXSA-N 1 0 427.505 -0.579 20 0 IBADRO CC(=O)N(C)CC(=O)NC[C@]1(NC(=O)CN(C)C(C)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000670400667 1072785963 /nfs/dbraw/zinc/78/59/63/1072785963.db2.gz KSUPDERJODFWNQ-JOCHJYFZSA-N 1 0 431.537 -0.180 20 0 IBADRO CC(=O)N(C)CC(=O)NC[C@@]1(NC(=O)CN(C)C(C)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000670400668 1072785895 /nfs/dbraw/zinc/78/58/95/1072785895.db2.gz KSUPDERJODFWNQ-QFIPXVFZSA-N 1 0 431.537 -0.180 20 0 IBADRO CC(=O)N[C@H](C)C(=O)NC[C@@]1(NC(=O)[C@@H](C)NC(C)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000670401055 1072786108 /nfs/dbraw/zinc/78/61/08/1072786108.db2.gz UMBHFAOINJQHGG-MCFFVMPBSA-N 1 0 431.537 -0.087 20 0 IBADRO CC(=O)N[C@H](C)C(=O)NC[C@@]1(NC(=O)[C@H](C)NC(C)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000670401056 1072786178 /nfs/dbraw/zinc/78/61/78/1072786178.db2.gz UMBHFAOINJQHGG-VVBPWWLESA-N 1 0 431.537 -0.087 20 0 IBADRO CC(=O)N[C@H](C)C(=O)NC[C@]1(NC(=O)[C@@H](C)NC(C)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000670401057 1072786079 /nfs/dbraw/zinc/78/60/79/1072786079.db2.gz UMBHFAOINJQHGG-XCGNWRKASA-N 1 0 431.537 -0.087 20 0 IBADRO CC(=O)N[C@H](C)C(=O)NC[C@]1(NC(=O)[C@H](C)NC(C)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000670401058 1072786043 /nfs/dbraw/zinc/78/60/43/1072786043.db2.gz UMBHFAOINJQHGG-ZMPRRUGASA-N 1 0 431.537 -0.087 20 0 IBADRO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1OC ZINC000670406514 1073225341 /nfs/dbraw/zinc/22/53/41/1073225341.db2.gz UMXNVKTYLWROGH-HNNXBMFYSA-N 1 0 426.539 -0.122 20 0 IBADRO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1OC ZINC000670406515 1072787719 /nfs/dbraw/zinc/78/77/19/1072787719.db2.gz UMXNVKTYLWROGH-OAHLLOKOSA-N 1 0 426.539 -0.122 20 0 IBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000670407775 1072789390 /nfs/dbraw/zinc/78/93/90/1072789390.db2.gz ZJVLTTGJJVCALM-IBGZPJMESA-N 1 0 435.594 -0.193 20 0 IBADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000670407776 1072789263 /nfs/dbraw/zinc/78/92/63/1072789263.db2.gz ZJVLTTGJJVCALM-LJQANCHMSA-N 1 0 435.594 -0.193 20 0 IBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670446723 1072803442 /nfs/dbraw/zinc/80/34/42/1072803442.db2.gz DLHANZKMDCPRNW-INIZCTEOSA-N 1 0 438.550 -0.164 20 0 IBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670446724 1072803181 /nfs/dbraw/zinc/80/31/81/1072803181.db2.gz DLHANZKMDCPRNW-MRXNPFEDSA-N 1 0 438.550 -0.164 20 0 IBADRO COc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000670447477 1072804847 /nfs/dbraw/zinc/80/48/47/1072804847.db2.gz ZKFHVBAPHJXEOE-KRWDZBQOSA-N 1 0 438.550 -0.164 20 0 IBADRO COc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1S(=O)(=O)N1CCOCC1 ZINC000670447478 1072805357 /nfs/dbraw/zinc/80/53/57/1072805357.db2.gz ZKFHVBAPHJXEOE-QGZVFWFLSA-N 1 0 438.550 -0.164 20 0 IBADRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000670471279 1072820026 /nfs/dbraw/zinc/82/00/26/1072820026.db2.gz HEOKWSUIGBDWHR-UHFFFAOYSA-N 1 0 436.538 -0.146 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000670503460 1073278188 /nfs/dbraw/zinc/27/81/88/1073278188.db2.gz ARYCFAVISXMSQO-KRWDZBQOSA-N 1 0 425.555 -0.901 20 0 IBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000670503461 1073278134 /nfs/dbraw/zinc/27/81/34/1073278134.db2.gz ARYCFAVISXMSQO-QGZVFWFLSA-N 1 0 425.555 -0.901 20 0 IBADRO COc1ccc([C@@H](CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[NH+]2CCCC2)cc1 ZINC000670510086 1072837076 /nfs/dbraw/zinc/83/70/76/1072837076.db2.gz FVHZPDIBXSRVCA-GOSISDBHSA-N 1 0 438.550 -0.044 20 0 IBADRO COc1ccc([C@H](CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[NH+]2CCCC2)cc1 ZINC000670510087 1072837213 /nfs/dbraw/zinc/83/72/13/1072837213.db2.gz FVHZPDIBXSRVCA-SFHVURJKSA-N 1 0 438.550 -0.044 20 0 IBADRO COc1ccc([C@H](CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[NH+](C)C)cc1OC ZINC000670533516 1072851560 /nfs/dbraw/zinc/85/15/60/1072851560.db2.gz JALWYZBZOVDNBN-HNNXBMFYSA-N 1 0 442.538 -0.570 20 0 IBADRO COc1ccc([C@@H](CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[NH+](C)C)cc1OC ZINC000670533517 1072851321 /nfs/dbraw/zinc/85/13/21/1072851321.db2.gz JALWYZBZOVDNBN-OAHLLOKOSA-N 1 0 442.538 -0.570 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000670535253 1072851406 /nfs/dbraw/zinc/85/14/06/1072851406.db2.gz DWDAHUDBPQTYBO-AWEZNQCLSA-N 1 0 431.584 -0.840 20 0 IBADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1cccs1 ZINC000670535254 1072851441 /nfs/dbraw/zinc/85/14/41/1072851441.db2.gz DWDAHUDBPQTYBO-CQSZACIVSA-N 1 0 431.584 -0.840 20 0 IBADRO COc1ccccc1[C@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000670605638 1072904117 /nfs/dbraw/zinc/90/41/17/1072904117.db2.gz KZSRYBMUWHVFCY-KRWDZBQOSA-N 1 0 438.550 -0.044 20 0 IBADRO COc1ccccc1[C@@H](CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000670605639 1072904176 /nfs/dbraw/zinc/90/41/76/1072904176.db2.gz KZSRYBMUWHVFCY-QGZVFWFLSA-N 1 0 438.550 -0.044 20 0 IBADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670629234 1072926413 /nfs/dbraw/zinc/92/64/13/1072926413.db2.gz VUYKTORNVUBFIP-GOSISDBHSA-N 1 0 437.566 -0.930 20 0 IBADRO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000670629235 1072926337 /nfs/dbraw/zinc/92/63/37/1072926337.db2.gz VUYKTORNVUBFIP-SFHVURJKSA-N 1 0 437.566 -0.930 20 0 IBADRO COc1cccc([C@@H](CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[NH+]2CCCC2)c1 ZINC000670632750 1072928462 /nfs/dbraw/zinc/92/84/62/1072928462.db2.gz UEPLVQHLFPMING-GOSISDBHSA-N 1 0 438.550 -0.044 20 0 IBADRO COc1cccc([C@H](CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)[NH+]2CCCC2)c1 ZINC000670632751 1072928489 /nfs/dbraw/zinc/92/84/89/1072928489.db2.gz UEPLVQHLFPMING-SFHVURJKSA-N 1 0 438.550 -0.044 20 0 IBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000670640491 1070998740 /nfs/dbraw/zinc/99/87/40/1070998740.db2.gz FVJXLFCNXOBGFS-INIZCTEOSA-N 1 0 448.568 -0.358 20 0 IBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000670640492 1072934231 /nfs/dbraw/zinc/93/42/31/1072934231.db2.gz FVJXLFCNXOBGFS-MRXNPFEDSA-N 1 0 448.568 -0.358 20 0 IBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000670640706 1072935924 /nfs/dbraw/zinc/93/59/24/1072935924.db2.gz IVCQFNPDUOMIPX-KRWDZBQOSA-N 1 0 448.568 -0.404 20 0 IBADRO 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C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672642962 1073181275 /nfs/dbraw/zinc/18/12/75/1073181275.db2.gz YQWANULXCPOPIF-UKRRQHHQSA-N 1 0 433.475 -0.059 20 0 IBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000672642964 1073181375 /nfs/dbraw/zinc/18/13/75/1073181375.db2.gz YQWANULXCPOPIF-ZFWWWQNUSA-N 1 0 433.475 -0.059 20 0 IBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643004 1073181541 /nfs/dbraw/zinc/18/15/41/1073181541.db2.gz ZYWGLFBMEMKGFV-AEFFLSMTSA-N 1 0 443.614 -0.409 20 0 IBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643008 1073181413 /nfs/dbraw/zinc/18/14/13/1073181413.db2.gz ZYWGLFBMEMKGFV-FUHWJXTLSA-N 1 0 443.614 -0.409 20 0 IBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643009 1073181351 /nfs/dbraw/zinc/18/13/51/1073181351.db2.gz ZYWGLFBMEMKGFV-SJLPKXTDSA-N 1 0 443.614 -0.409 20 0 IBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)C2)CC1 ZINC000672643011 1073182117 /nfs/dbraw/zinc/18/21/17/1073182117.db2.gz ZYWGLFBMEMKGFV-WMZOPIPTSA-N 1 0 443.614 -0.409 20 0 IBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000672643092 1073181636 /nfs/dbraw/zinc/18/16/36/1073181636.db2.gz PBTQETFPAGMKKY-KRWDZBQOSA-N 1 0 428.537 -0.349 20 0 IBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000672643093 1073181497 /nfs/dbraw/zinc/18/14/97/1073181497.db2.gz PBTQETFPAGMKKY-QGZVFWFLSA-N 1 0 428.537 -0.349 20 0 IBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000672647460 1073182578 /nfs/dbraw/zinc/18/25/78/1073182578.db2.gz XWGYHXHZSKJOTA-MOPGFXCFSA-N 1 0 439.601 -0.138 20 0 IBADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000672647462 1073182619 /nfs/dbraw/zinc/18/26/19/1073182619.db2.gz XWGYHXHZSKJOTA-OALUTQOASA-N 1 0 439.601 -0.138 20 0 IBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000672647464 1073182750 /nfs/dbraw/zinc/18/27/50/1073182750.db2.gz XWGYHXHZSKJOTA-RBUKOAKNSA-N 1 0 439.601 -0.138 20 0 IBADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000672647465 1073182641 /nfs/dbraw/zinc/18/26/41/1073182641.db2.gz XWGYHXHZSKJOTA-RTBURBONSA-N 1 0 439.601 -0.138 20 0 IBADRO CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000672650428 1073182699 /nfs/dbraw/zinc/18/26/99/1073182699.db2.gz AUKHDLBPEXYQDD-GOSISDBHSA-N 1 0 439.601 -0.354 20 0 IBADRO CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000672650429 1073182601 /nfs/dbraw/zinc/18/26/01/1073182601.db2.gz AUKHDLBPEXYQDD-SFHVURJKSA-N 1 0 439.601 -0.354 20 0 IBADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000672650431 1073182707 /nfs/dbraw/zinc/18/27/07/1073182707.db2.gz CJXDCXNTKPDSQO-UHFFFAOYSA-N 1 0 437.507 -0.411 20 0 IBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000672650467 1073182630 /nfs/dbraw/zinc/18/26/30/1073182630.db2.gz VRLOBAPCQIYILA-AZUAARDMSA-N 1 0 445.564 -0.197 20 0 IBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000672650474 1073182663 /nfs/dbraw/zinc/18/26/63/1073182663.db2.gz VRLOBAPCQIYILA-ICSRJNTNSA-N 1 0 445.564 -0.197 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000672650475 1073182737 /nfs/dbraw/zinc/18/27/37/1073182737.db2.gz VRLOBAPCQIYILA-QUCCMNQESA-N 1 0 445.564 -0.197 20 0 IBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000672650476 1073182671 /nfs/dbraw/zinc/18/26/71/1073182671.db2.gz VRLOBAPCQIYILA-UYAOXDASSA-N 1 0 445.564 -0.197 20 0 IBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000672662468 1073182000 /nfs/dbraw/zinc/18/20/00/1073182000.db2.gz PDIHFFUHEXFEKU-DLBZAZTESA-N 1 0 431.541 -0.391 20 0 IBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000672662469 1073182153 /nfs/dbraw/zinc/18/21/53/1073182153.db2.gz PDIHFFUHEXFEKU-IAGOWNOFSA-N 1 0 431.541 -0.391 20 0 IBADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000672662470 1073182139 /nfs/dbraw/zinc/18/21/39/1073182139.db2.gz PDIHFFUHEXFEKU-IRXDYDNUSA-N 1 0 431.541 -0.391 20 0 IBADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000672662471 1073182763 /nfs/dbraw/zinc/18/27/63/1073182763.db2.gz PDIHFFUHEXFEKU-SJORKVTESA-N 1 0 431.541 -0.391 20 0 IBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000672689891 1073184276 /nfs/dbraw/zinc/18/42/76/1073184276.db2.gz FQARPIGDCCJZHK-GOSISDBHSA-N 1 0 445.568 -0.048 20 0 IBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000672689892 1073184232 /nfs/dbraw/zinc/18/42/32/1073184232.db2.gz FQARPIGDCCJZHK-SFHVURJKSA-N 1 0 445.568 -0.048 20 0 IBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000672692675 1073184316 /nfs/dbraw/zinc/18/43/16/1073184316.db2.gz IBCWCWUCRWFCIP-HNNXBMFYSA-N 1 0 427.527 -0.361 20 0 IBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000672692676 1073184068 /nfs/dbraw/zinc/18/40/68/1073184068.db2.gz IBCWCWUCRWFCIP-OAHLLOKOSA-N 1 0 427.527 -0.361 20 0 IBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000672695020 1073183107 /nfs/dbraw/zinc/18/31/07/1073183107.db2.gz DGTJKEFKBLCBML-KRWDZBQOSA-N 1 0 432.587 -0.124 20 0 IBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000672695022 1073183220 /nfs/dbraw/zinc/18/32/20/1073183220.db2.gz DGTJKEFKBLCBML-QGZVFWFLSA-N 1 0 432.587 -0.124 20 0 IBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000672695170 1073183145 /nfs/dbraw/zinc/18/31/45/1073183145.db2.gz MACWICYFUCLIKE-DLBZAZTESA-N 1 0 432.587 -0.124 20 0 IBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000672695171 1073183198 /nfs/dbraw/zinc/18/31/98/1073183198.db2.gz MACWICYFUCLIKE-IAGOWNOFSA-N 1 0 432.587 -0.124 20 0 IBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000672695172 1073183140 /nfs/dbraw/zinc/18/31/40/1073183140.db2.gz MACWICYFUCLIKE-IRXDYDNUSA-N 1 0 432.587 -0.124 20 0 IBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000672695173 1073183131 /nfs/dbraw/zinc/18/31/31/1073183131.db2.gz MACWICYFUCLIKE-SJORKVTESA-N 1 0 432.587 -0.124 20 0 IBADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000672695979 1073183667 /nfs/dbraw/zinc/18/36/67/1073183667.db2.gz PYPLCNPQIRNUAG-INIZCTEOSA-N 1 0 440.570 -0.448 20 0 IBADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000672695980 1073183658 /nfs/dbraw/zinc/18/36/58/1073183658.db2.gz PYPLCNPQIRNUAG-MRXNPFEDSA-N 1 0 440.570 -0.448 20 0 IBADRO 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/nfs/dbraw/zinc/27/58/79/1073275879.db2.gz VIIQILSHXBRJIL-UHFFFAOYSA-N 1 0 438.580 -0.607 20 0 IBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1)N1CCOCC1 ZINC000675207850 1073276797 /nfs/dbraw/zinc/27/67/97/1073276797.db2.gz CIQVHAGPUQYIGB-UHFFFAOYSA-N 1 0 427.465 -0.576 20 0 IBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1)N1CCOCC1 ZINC000675208298 1073276807 /nfs/dbraw/zinc/27/68/07/1073276807.db2.gz RJLIGHJOVUSLTO-KRWDZBQOSA-N 1 0 448.524 -0.606 20 0 IBADRO O=C(Cn1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1)N1CCOCC1 ZINC000675208301 1073276669 /nfs/dbraw/zinc/27/66/69/1073276669.db2.gz RJLIGHJOVUSLTO-QGZVFWFLSA-N 1 0 448.524 -0.606 20 0 IBADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000675320927 1073278158 /nfs/dbraw/zinc/27/81/58/1073278158.db2.gz WCUZWAQKEHLKDE-GOSISDBHSA-N 1 0 436.534 -0.064 20 0 IBADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000675320934 1073278120 /nfs/dbraw/zinc/27/81/20/1073278120.db2.gz WCUZWAQKEHLKDE-SFHVURJKSA-N 1 0 436.534 -0.064 20 0 IBADRO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675329698 1073278085 /nfs/dbraw/zinc/27/80/85/1073278085.db2.gz OGZIDHXNAGPPMM-GOSISDBHSA-N 1 0 438.550 -0.482 20 0 IBADRO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675329699 1073278146 /nfs/dbraw/zinc/27/81/46/1073278146.db2.gz OGZIDHXNAGPPMM-SFHVURJKSA-N 1 0 438.550 -0.482 20 0 IBADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000675538817 1073280861 /nfs/dbraw/zinc/28/08/61/1073280861.db2.gz PCTJORSGBIBVCU-KRWDZBQOSA-N 1 0 436.534 -0.210 20 0 IBADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000675538819 1073280721 /nfs/dbraw/zinc/28/07/21/1073280721.db2.gz PCTJORSGBIBVCU-QGZVFWFLSA-N 1 0 436.534 -0.210 20 0 IBADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000675538842 1073280822 /nfs/dbraw/zinc/28/08/22/1073280822.db2.gz QAWPDJJHDYZTNJ-KRWDZBQOSA-N 1 0 436.534 -0.210 20 0 IBADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000675538843 1073280772 /nfs/dbraw/zinc/28/07/72/1073280772.db2.gz QAWPDJJHDYZTNJ-QGZVFWFLSA-N 1 0 436.534 -0.210 20 0 IBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000675587554 1073281197 /nfs/dbraw/zinc/28/11/97/1073281197.db2.gz BVPFMNKUBXSGAG-KRWDZBQOSA-N 1 0 436.513 -0.703 20 0 IBADRO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000675587555 1073281272 /nfs/dbraw/zinc/28/12/72/1073281272.db2.gz BVPFMNKUBXSGAG-QGZVFWFLSA-N 1 0 436.513 -0.703 20 0 IBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cn1)N1CCOCC1 ZINC000675587989 1073282179 /nfs/dbraw/zinc/28/21/79/1073282179.db2.gz ODQMAMQKAYAYEG-GOSISDBHSA-N 1 0 448.524 -0.606 20 0 IBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1)N1CCOCC1 ZINC000675587993 1073282122 /nfs/dbraw/zinc/28/21/22/1073282122.db2.gz ODQMAMQKAYAYEG-SFHVURJKSA-N 1 0 448.524 -0.606 20 0 IBADRO O=C(Cn1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1)N1CCOCC1 ZINC000675588061 1073282111 /nfs/dbraw/zinc/28/21/11/1073282111.db2.gz WZMOOCPHMKMUAR-UHFFFAOYSA-N 1 0 427.465 -0.576 20 0 IBADRO CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)CCN2C1=O ZINC000675600294 1073283634 /nfs/dbraw/zinc/28/36/34/1073283634.db2.gz KCWAXVRKBLPCCS-GOSISDBHSA-N 1 0 442.520 -0.133 20 0 IBADRO CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)CCN2C1=O ZINC000675600302 1073283330 /nfs/dbraw/zinc/28/33/30/1073283330.db2.gz KCWAXVRKBLPCCS-SFHVURJKSA-N 1 0 442.520 -0.133 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc3[nH]c(=O)ccc3c2)cn1 ZINC000675603702 1073281758 /nfs/dbraw/zinc/28/17/58/1073281758.db2.gz AXERJDHEQAYMBK-UHFFFAOYSA-N 1 0 425.449 -0.020 20 0 IBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000675622522 1073284836 /nfs/dbraw/zinc/28/48/36/1073284836.db2.gz RQMSKRJSABAECI-DOTOQJQBSA-N 1 0 437.566 -0.309 20 0 IBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000675622526 1073284808 /nfs/dbraw/zinc/28/48/08/1073284808.db2.gz RQMSKRJSABAECI-NVXWUHKLSA-N 1 0 437.566 -0.309 20 0 IBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000675622528 1073284668 /nfs/dbraw/zinc/28/46/68/1073284668.db2.gz RQMSKRJSABAECI-RDJZCZTQSA-N 1 0 437.566 -0.309 20 0 IBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000675622529 1073284735 /nfs/dbraw/zinc/28/47/35/1073284735.db2.gz RQMSKRJSABAECI-WBVHZDCISA-N 1 0 437.566 -0.309 20 0 IBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675623164 1073284745 /nfs/dbraw/zinc/28/47/45/1073284745.db2.gz MANPXKNJNCFUHQ-GDBMZVCRSA-N 1 0 437.566 -0.263 20 0 IBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675623170 1073284772 /nfs/dbraw/zinc/28/47/72/1073284772.db2.gz MANPXKNJNCFUHQ-GOEBONIOSA-N 1 0 437.566 -0.263 20 0 IBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675623171 1073284677 /nfs/dbraw/zinc/28/46/77/1073284677.db2.gz MANPXKNJNCFUHQ-HOCLYGCPSA-N 1 0 437.566 -0.263 20 0 IBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675623172 1073284706 /nfs/dbraw/zinc/28/47/06/1073284706.db2.gz MANPXKNJNCFUHQ-ZBFHGGJFSA-N 1 0 437.566 -0.263 20 0 IBADRO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000675623755 1073285220 /nfs/dbraw/zinc/28/52/20/1073285220.db2.gz WXLHXWIFNZWZLH-HNNXBMFYSA-N 1 0 425.555 -0.404 20 0 IBADRO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000675623760 1073285132 /nfs/dbraw/zinc/28/51/32/1073285132.db2.gz WXLHXWIFNZWZLH-OAHLLOKOSA-N 1 0 425.555 -0.404 20 0 IBADRO CS(=O)(=O)N1CCC([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000675762821 1073285569 /nfs/dbraw/zinc/28/55/69/1073285569.db2.gz YWISVQSQIMUYEJ-UHFFFAOYSA-N 1 0 431.584 -0.453 20 0 IBADRO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675799866 1073286071 /nfs/dbraw/zinc/28/60/71/1073286071.db2.gz PXIFYILVBGMYSL-IBGZPJMESA-N 1 0 445.568 -0.572 20 0 IBADRO O=C(CCC(=O)N1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675799867 1073286093 /nfs/dbraw/zinc/28/60/93/1073286093.db2.gz PXIFYILVBGMYSL-LJQANCHMSA-N 1 0 445.568 -0.572 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000675916679 1073286558 /nfs/dbraw/zinc/28/65/58/1073286558.db2.gz LQSWVSPXEQIXOV-HNNXBMFYSA-N 1 0 440.522 -0.321 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000675916691 1073286655 /nfs/dbraw/zinc/28/66/55/1073286655.db2.gz LQSWVSPXEQIXOV-OAHLLOKOSA-N 1 0 440.522 -0.321 20 0 IBADRO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1C ZINC000675921489 1073286641 /nfs/dbraw/zinc/28/66/41/1073286641.db2.gz LTEYRGQJXSCDSL-UHFFFAOYSA-N 1 0 425.555 -0.016 20 0 IBADRO CC(C)[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000675940956 1073287409 /nfs/dbraw/zinc/28/74/09/1073287409.db2.gz NVGGTSOKTFDHQT-UHFFFAOYSA-N 1 0 427.523 -0.007 20 0 IBADRO CCC[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000675940985 1073287370 /nfs/dbraw/zinc/28/73/70/1073287370.db2.gz QKGYGNPYWUKEGG-UHFFFAOYSA-N 1 0 427.523 -0.005 20 0 IBADRO Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)CC2)cn1C ZINC000675953376 1073287947 /nfs/dbraw/zinc/28/79/47/1073287947.db2.gz QUQCSOCTYFCQKO-UHFFFAOYSA-N 1 0 441.602 -0.230 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000675988855 1073287831 /nfs/dbraw/zinc/28/78/31/1073287831.db2.gz MGNYDABUCSXXAC-INIZCTEOSA-N 1 0 427.502 -0.079 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000675988861 1073287894 /nfs/dbraw/zinc/28/78/94/1073287894.db2.gz MGNYDABUCSXXAC-MRXNPFEDSA-N 1 0 427.502 -0.079 20 0 IBADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(Cl)cc1 ZINC000675989087 1073287939 /nfs/dbraw/zinc/28/79/39/1073287939.db2.gz IMXFSOZVUOEHIF-INIZCTEOSA-N 1 0 448.915 -0.584 20 0 IBADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(Cl)cc1 ZINC000675989091 1073287877 /nfs/dbraw/zinc/28/78/77/1073287877.db2.gz IMXFSOZVUOEHIF-MRXNPFEDSA-N 1 0 448.915 -0.584 20 0 IBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000676047532 1073288297 /nfs/dbraw/zinc/28/82/97/1073288297.db2.gz JSUVWDVJKYOFTQ-MSOLQXFVSA-N 1 0 431.603 -0.369 20 0 IBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000676047533 1073288426 /nfs/dbraw/zinc/28/84/26/1073288426.db2.gz JSUVWDVJKYOFTQ-QZTJIDSGSA-N 1 0 431.603 -0.369 20 0 IBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000676047534 1073288283 /nfs/dbraw/zinc/28/82/83/1073288283.db2.gz JSUVWDVJKYOFTQ-ROUUACIJSA-N 1 0 431.603 -0.369 20 0 IBADRO CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000676047535 1073288420 /nfs/dbraw/zinc/28/84/20/1073288420.db2.gz JSUVWDVJKYOFTQ-ZWKOTPCHSA-N 1 0 431.603 -0.369 20 0 IBADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000676090078 1073289597 /nfs/dbraw/zinc/28/95/97/1073289597.db2.gz RIQAWPMDRCUXSJ-UHFFFAOYSA-N 1 0 425.449 -0.501 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)cn1 ZINC000676090669 1073289740 /nfs/dbraw/zinc/28/97/40/1073289740.db2.gz XZIORMLMLJOAKW-UHFFFAOYSA-N 1 0 429.529 -0.498 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 ZINC000676090974 1073289697 /nfs/dbraw/zinc/28/96/97/1073289697.db2.gz QZLDHFXSGBGHKT-UHFFFAOYSA-N 1 0 434.522 -0.084 20 0 IBADRO CN(CC(=O)N(C)C1CCCCC1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000676091148 1073289976 /nfs/dbraw/zinc/28/99/76/1073289976.db2.gz BIICJXRIFACCMY-UHFFFAOYSA-N 1 0 449.556 -0.251 20 0 IBADRO CCC(CC)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000676091294 1073290027 /nfs/dbraw/zinc/29/00/27/1073290027.db2.gz IOESRJYSIXAVKE-UHFFFAOYSA-N 1 0 449.556 -0.394 20 0 IBADRO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676091495 1073290196 /nfs/dbraw/zinc/29/01/96/1073290196.db2.gz BGOHESHPWFMGOB-UHFFFAOYSA-N 1 0 427.465 -0.791 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cn1 ZINC000676091676 1073290153 /nfs/dbraw/zinc/29/01/53/1073290153.db2.gz FPFLJTCXWSNURZ-UHFFFAOYSA-N 1 0 449.556 -0.394 20 0 IBADRO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)no1 ZINC000676091715 1073290210 /nfs/dbraw/zinc/29/02/10/1073290210.db2.gz HTLQUHMIEULKOZ-UHFFFAOYSA-N 1 0 432.485 -0.537 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cn1 ZINC000676091749 1073290017 /nfs/dbraw/zinc/29/00/17/1073290017.db2.gz KGWAIXHFZONKKB-GOSISDBHSA-N 1 0 427.509 -0.246 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cn1 ZINC000676091750 1073290144 /nfs/dbraw/zinc/29/01/44/1073290144.db2.gz KGWAIXHFZONKKB-SFHVURJKSA-N 1 0 427.509 -0.246 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cn1 ZINC000676091762 1073290054 /nfs/dbraw/zinc/29/00/54/1073290054.db2.gz KYXBXPVQBCJRAN-UHFFFAOYSA-N 1 0 441.536 -0.156 20 0 IBADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676091863 1073290064 /nfs/dbraw/zinc/29/00/64/1073290064.db2.gz YIPCCGRMAUNCNV-KRWDZBQOSA-N 1 0 433.557 -0.072 20 0 IBADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676091865 1073290034 /nfs/dbraw/zinc/29/00/34/1073290034.db2.gz YIPCCGRMAUNCNV-QGZVFWFLSA-N 1 0 433.557 -0.072 20 0 IBADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676091886 1073290090 /nfs/dbraw/zinc/29/00/90/1073290090.db2.gz MEUMGJXWSTYDOP-UHFFFAOYSA-N 1 0 426.485 -0.591 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cn1 ZINC000676092024 1073288810 /nfs/dbraw/zinc/28/88/10/1073288810.db2.gz SOWACDFMSREIJF-UHFFFAOYSA-N 1 0 433.557 -0.070 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cn1 ZINC000676092043 1073288891 /nfs/dbraw/zinc/28/88/91/1073288891.db2.gz UEIGMNYKWRTFKH-UHFFFAOYSA-N 1 0 449.537 -0.621 20 0 IBADRO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676093314 1073288785 /nfs/dbraw/zinc/28/87/85/1073288785.db2.gz QROURMBWOMSJMV-UHFFFAOYSA-N 1 0 439.432 -0.974 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cn1 ZINC000676094251 1073289172 /nfs/dbraw/zinc/28/91/72/1073289172.db2.gz GIGOZMJYMPAJDQ-UHFFFAOYSA-N 1 0 433.557 -0.024 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCCN2Cc3ccccc3C2)cn1 ZINC000676094555 1073289113 /nfs/dbraw/zinc/28/91/13/1073289113.db2.gz WGGLVRKFWZVVLT-UHFFFAOYSA-N 1 0 427.509 -0.369 20 0 IBADRO COc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C2 ZINC000676094714 1073288865 /nfs/dbraw/zinc/28/88/65/1073288865.db2.gz NSJFGJGNXCDWHB-HNNXBMFYSA-N 1 0 444.492 -0.372 20 0 IBADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)C2 ZINC000676094715 1073289132 /nfs/dbraw/zinc/28/91/32/1073289132.db2.gz NSJFGJGNXCDWHB-OAHLLOKOSA-N 1 0 444.492 -0.372 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2OCCc3ccccc32)cn1 ZINC000676094916 1073288970 /nfs/dbraw/zinc/28/89/70/1073288970.db2.gz AIHWUPAZGVIPLV-GOSISDBHSA-N 1 0 428.493 -0.070 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2OCCc3ccccc32)cn1 ZINC000676094917 1073288851 /nfs/dbraw/zinc/28/88/51/1073288851.db2.gz AIHWUPAZGVIPLV-SFHVURJKSA-N 1 0 428.493 -0.070 20 0 IBADRO CN1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)CC1 ZINC000676095023 1073289236 /nfs/dbraw/zinc/28/92/36/1073289236.db2.gz DVOHBZIHZCFYQN-UHFFFAOYSA-N 1 0 433.557 -0.214 20 0 IBADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676095028 1073289223 /nfs/dbraw/zinc/28/92/23/1073289223.db2.gz XVXJHMNUYFSMAE-INIZCTEOSA-N 1 0 433.557 -0.025 20 0 IBADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676095029 1073289282 /nfs/dbraw/zinc/28/92/82/1073289282.db2.gz XVXJHMNUYFSMAE-MRXNPFEDSA-N 1 0 433.557 -0.025 20 0 IBADRO O=C(CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)N1CCN(c2ncccn2)CC1 ZINC000676095416 1073289287 /nfs/dbraw/zinc/28/92/87/1073289287.db2.gz HLNVTPYPMJLRJI-UHFFFAOYSA-N 1 0 449.475 -0.149 20 0 IBADRO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095712 1073289248 /nfs/dbraw/zinc/28/92/48/1073289248.db2.gz UIRKFOMHDCLULS-INIZCTEOSA-N 1 0 436.494 -0.190 20 0 IBADRO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095716 1073289303 /nfs/dbraw/zinc/28/93/03/1073289303.db2.gz UIRKFOMHDCLULS-MRXNPFEDSA-N 1 0 436.494 -0.190 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cn1 ZINC000676096028 1073289185 /nfs/dbraw/zinc/28/91/85/1073289185.db2.gz OQBHRUPDVKNZBZ-UHFFFAOYSA-N 1 0 442.524 -0.367 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cn1 ZINC000676096082 1073289103 /nfs/dbraw/zinc/28/91/03/1073289103.db2.gz RZFUBIUYCYAMLG-UHFFFAOYSA-N 1 0 427.509 -0.152 20 0 IBADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H](C(F)(F)F)O1 ZINC000676096556 1073289333 /nfs/dbraw/zinc/28/93/33/1073289333.db2.gz AMNXRVCJLDPQOD-AAEUAGOBSA-N 1 0 434.419 -0.322 20 0 IBADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H](C(F)(F)F)O1 ZINC000676096557 1073289327 /nfs/dbraw/zinc/28/93/27/1073289327.db2.gz AMNXRVCJLDPQOD-DGCLKSJQSA-N 1 0 434.419 -0.322 20 0 IBADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H](C(F)(F)F)O1 ZINC000676096558 1073289219 /nfs/dbraw/zinc/28/92/19/1073289219.db2.gz AMNXRVCJLDPQOD-WCQYABFASA-N 1 0 434.419 -0.322 20 0 IBADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H](C(F)(F)F)O1 ZINC000676096559 1073289208 /nfs/dbraw/zinc/28/92/08/1073289208.db2.gz AMNXRVCJLDPQOD-YPMHNXCESA-N 1 0 434.419 -0.322 20 0 IBADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676097154 1073289314 /nfs/dbraw/zinc/28/93/14/1073289314.db2.gz IZBFZOUGTUERMV-UHFFFAOYSA-N 1 0 444.558 -0.718 20 0 IBADRO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)nc12 ZINC000676097224 1073289749 /nfs/dbraw/zinc/28/97/49/1073289749.db2.gz KMZPFSMDNMGAME-UHFFFAOYSA-N 1 0 440.508 -0.186 20 0 IBADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000676097804 1073289140 /nfs/dbraw/zinc/28/91/40/1073289140.db2.gz VEQLLPXHMKXEAD-UHFFFAOYSA-N 1 0 445.461 -0.132 20 0 IBADRO Cn1cc(C(=O)NCC2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)cn1 ZINC000676098287 1073289721 /nfs/dbraw/zinc/28/97/21/1073289721.db2.gz GTFFEFQZVBTRQB-UHFFFAOYSA-N 1 0 430.513 -0.215 20 0 IBADRO 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Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc2)c1=O ZINC000682269661 1072797355 /nfs/dbraw/zinc/79/73/55/1072797355.db2.gz BBASZGVSLUXIIH-MRXNPFEDSA-N 1 0 427.509 -0.206 20 0 IBADRO COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000682269672 1072797157 /nfs/dbraw/zinc/79/71/57/1072797157.db2.gz BOHGOTXUWOTXSJ-HNNXBMFYSA-N 1 0 428.497 -0.106 20 0 IBADRO COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1-n1cnnn1 ZINC000682269673 1072797430 /nfs/dbraw/zinc/79/74/30/1072797430.db2.gz BOHGOTXUWOTXSJ-OAHLLOKOSA-N 1 0 428.497 -0.106 20 0 IBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000682269966 1072797469 /nfs/dbraw/zinc/79/74/69/1072797469.db2.gz FMNFJQUXWGUJNH-CYBMUJFWSA-N 1 0 427.502 -0.304 20 0 IBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000682269967 1072797323 /nfs/dbraw/zinc/79/73/23/1072797323.db2.gz FMNFJQUXWGUJNH-ZDUSSCGKSA-N 1 0 427.502 -0.304 20 0 IBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C2)CC1 ZINC000682270141 1072798054 /nfs/dbraw/zinc/79/80/54/1072798054.db2.gz SAXYWIJGVXUBGM-KRWDZBQOSA-N 1 0 442.520 -0.038 20 0 IBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)C2)CC1 ZINC000682270142 1072797941 /nfs/dbraw/zinc/79/79/41/1072797941.db2.gz SAXYWIJGVXUBGM-QGZVFWFLSA-N 1 0 442.520 -0.038 20 0 IBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270489 1072797796 /nfs/dbraw/zinc/79/77/96/1072797796.db2.gz WPKICYZCVFHYSW-BEFAXECRSA-N 1 0 429.521 -0.189 20 0 IBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270491 1072798101 /nfs/dbraw/zinc/79/81/01/1072798101.db2.gz WPKICYZCVFHYSW-DNVCBOLYSA-N 1 0 429.521 -0.189 20 0 IBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270493 1072797974 /nfs/dbraw/zinc/79/79/74/1072797974.db2.gz WPKICYZCVFHYSW-HNAYVOBHSA-N 1 0 429.521 -0.189 20 0 IBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2O1 ZINC000682270494 1072798265 /nfs/dbraw/zinc/79/82/65/1072798265.db2.gz WPKICYZCVFHYSW-KXBFYZLASA-N 1 0 429.521 -0.189 20 0 IBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000682270691 1072797909 /nfs/dbraw/zinc/79/79/09/1072797909.db2.gz YAEZOHKZINFENS-INIZCTEOSA-N 1 0 449.577 -0.232 20 0 IBADRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000682270696 1072798020 /nfs/dbraw/zinc/79/80/20/1072798020.db2.gz YAEZOHKZINFENS-MRXNPFEDSA-N 1 0 449.577 -0.232 20 0 IBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc2O1 ZINC000682272111 1072798127 /nfs/dbraw/zinc/79/81/27/1072798127.db2.gz IAENRGUYIVGIMK-APWZRJJASA-N 1 0 445.520 -0.951 20 0 IBADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc2O1 ZINC000682272112 1072797847 /nfs/dbraw/zinc/79/78/47/1072797847.db2.gz IAENRGUYIVGIMK-LPHOPBHVSA-N 1 0 445.520 -0.951 20 0 IBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc2O1 ZINC000682272113 1072798176 /nfs/dbraw/zinc/79/81/76/1072798176.db2.gz IAENRGUYIVGIMK-QFBILLFUSA-N 1 0 445.520 -0.951 20 0 IBADRO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc2O1 ZINC000682272114 1072798001 /nfs/dbraw/zinc/79/80/01/1072798001.db2.gz IAENRGUYIVGIMK-VQIMIIECSA-N 1 0 445.520 -0.951 20 0 IBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)CC1 ZINC000682273416 1072798224 /nfs/dbraw/zinc/79/82/24/1072798224.db2.gz GDSGOXPQEBSERM-KRWDZBQOSA-N 1 0 442.520 -0.038 20 0 IBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)C2)CC1 ZINC000682273417 1072798082 /nfs/dbraw/zinc/79/80/82/1072798082.db2.gz GDSGOXPQEBSERM-QGZVFWFLSA-N 1 0 442.520 -0.038 20 0 IBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000682273791 1072798197 /nfs/dbraw/zinc/79/81/97/1072798197.db2.gz UZRNVKKMIUTCHI-GOSISDBHSA-N 1 0 442.524 -0.179 20 0 IBADRO CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000682273792 1072798143 /nfs/dbraw/zinc/79/81/43/1072798143.db2.gz UZRNVKKMIUTCHI-SFHVURJKSA-N 1 0 442.524 -0.179 20 0 IBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)C2)CC1 ZINC000682275411 1072798835 /nfs/dbraw/zinc/79/88/35/1072798835.db2.gz ROYONARURXAAKR-KRWDZBQOSA-N 1 0 437.566 -0.041 20 0 IBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)C2)CC1 ZINC000682275412 1072798918 /nfs/dbraw/zinc/79/89/18/1072798918.db2.gz ROYONARURXAAKR-QGZVFWFLSA-N 1 0 437.566 -0.041 20 0 IBADRO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000682276023 1072798660 /nfs/dbraw/zinc/79/86/60/1072798660.db2.gz FAPMVGLJSHONQZ-AWEZNQCLSA-N 1 0 432.460 -0.737 20 0 IBADRO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000682276032 1072798728 /nfs/dbraw/zinc/79/87/28/1072798728.db2.gz FAPMVGLJSHONQZ-CQSZACIVSA-N 1 0 432.460 -0.737 20 0 IBADRO C[C@H]1Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2NC1=O ZINC000682276102 1072798643 /nfs/dbraw/zinc/79/86/43/1072798643.db2.gz GAGROPWLVSHELA-GDBMZVCRSA-N 1 0 431.493 -0.133 20 0 IBADRO C[C@@H]1Oc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2NC1=O ZINC000682276104 1072799119 /nfs/dbraw/zinc/79/91/19/1072799119.db2.gz GAGROPWLVSHELA-GOEBONIOSA-N 1 0 431.493 -0.133 20 0 IBADRO C[C@@H]1Oc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2NC1=O ZINC000682276105 1072798584 /nfs/dbraw/zinc/79/85/84/1072798584.db2.gz GAGROPWLVSHELA-HOCLYGCPSA-N 1 0 431.493 -0.133 20 0 IBADRO C[C@H]1Oc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2NC1=O ZINC000682276107 1072799019 /nfs/dbraw/zinc/79/90/19/1072799019.db2.gz GAGROPWLVSHELA-ZBFHGGJFSA-N 1 0 431.493 -0.133 20 0 IBADRO CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000682276328 1072799102 /nfs/dbraw/zinc/79/91/02/1072799102.db2.gz JMPLJCVIMWMVIH-GOSISDBHSA-N 1 0 447.536 -0.337 20 0 IBADRO CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000682276329 1072798701 /nfs/dbraw/zinc/79/87/01/1072798701.db2.gz JMPLJCVIMWMVIH-SFHVURJKSA-N 1 0 447.536 -0.337 20 0 IBADRO O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000682276453 1072798975 /nfs/dbraw/zinc/79/89/75/1072798975.db2.gz NJWCYGBKSACJLH-IBGZPJMESA-N 1 0 431.537 -0.016 20 0 IBADRO O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000682276454 1072799081 /nfs/dbraw/zinc/79/90/81/1072799081.db2.gz NJWCYGBKSACJLH-LJQANCHMSA-N 1 0 431.537 -0.016 20 0 IBADRO O=C(Nc1ccccc1CN1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000682276457 1072798609 /nfs/dbraw/zinc/79/86/09/1072798609.db2.gz NMZLGCCXNAKVCJ-FQEVSTJZSA-N 1 0 445.564 -0.020 20 0 IBADRO O=C(Nc1ccccc1CN1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000682276458 1072799065 /nfs/dbraw/zinc/79/90/65/1072799065.db2.gz NMZLGCCXNAKVCJ-HXUWFJFHSA-N 1 0 445.564 -0.020 20 0 IBADRO Cn1c2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2n(C)c1=O ZINC000682276493 1072798625 /nfs/dbraw/zinc/79/86/25/1072798625.db2.gz ONKHVLIBJDBVID-INIZCTEOSA-N 1 0 430.509 -0.662 20 0 IBADRO Cn1c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2n(C)c1=O ZINC000682276494 1072798751 /nfs/dbraw/zinc/79/87/51/1072798751.db2.gz ONKHVLIBJDBVID-MRXNPFEDSA-N 1 0 430.509 -0.662 20 0 IBADRO CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000682276521 1072798777 /nfs/dbraw/zinc/79/87/77/1072798777.db2.gz PERQQICOKVADTB-GOSISDBHSA-N 1 0 447.536 -0.337 20 0 IBADRO CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000682276522 1072798890 /nfs/dbraw/zinc/79/88/90/1072798890.db2.gz PERQQICOKVADTB-SFHVURJKSA-N 1 0 447.536 -0.337 20 0 IBADRO CN1C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2C1=O ZINC000682276751 1072799675 /nfs/dbraw/zinc/79/96/75/1072799675.db2.gz WOKPLCLUYJFDQB-HNNXBMFYSA-N 1 0 429.477 -0.626 20 0 IBADRO CN1C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2C1=O ZINC000682276752 1072799455 /nfs/dbraw/zinc/79/94/55/1072799455.db2.gz WOKPLCLUYJFDQB-OAHLLOKOSA-N 1 0 429.477 -0.626 20 0 IBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)c1=O ZINC000682276882 1072799664 /nfs/dbraw/zinc/79/96/64/1072799664.db2.gz ZVDHNSJBXPSDGC-KRWDZBQOSA-N 1 0 443.508 -0.968 20 0 IBADRO Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cc2)c1=O ZINC000682276883 1072799596 /nfs/dbraw/zinc/79/95/96/1072799596.db2.gz ZVDHNSJBXPSDGC-QGZVFWFLSA-N 1 0 443.508 -0.968 20 0 IBADRO O=C(Nc1ccc(-n2cncn2)c(F)c1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000682276890 1072799402 /nfs/dbraw/zinc/79/94/02/1072799402.db2.gz ZZKZNAVXLVPJHI-INIZCTEOSA-N 1 0 431.472 -0.132 20 0 IBADRO O=C(Nc1ccc(-n2cncn2)c(F)c1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000682276891 1072799645 /nfs/dbraw/zinc/79/96/45/1072799645.db2.gz ZZKZNAVXLVPJHI-MRXNPFEDSA-N 1 0 431.472 -0.132 20 0 IBADRO CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000682279821 1072799724 /nfs/dbraw/zinc/79/97/24/1072799724.db2.gz IIPCOMDUCSIWLS-UHFFFAOYSA-N 1 0 439.538 -0.454 20 0 IBADRO NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682299931 1072800311 /nfs/dbraw/zinc/80/03/11/1072800311.db2.gz FGDZQCUUHNCSKL-GOSISDBHSA-N 1 0 449.471 -0.075 20 0 IBADRO NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682299933 1072800048 /nfs/dbraw/zinc/80/00/48/1072800048.db2.gz FGDZQCUUHNCSKL-SFHVURJKSA-N 1 0 449.471 -0.075 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cn1 ZINC000682304280 1072800845 /nfs/dbraw/zinc/80/08/45/1072800845.db2.gz AIBDJAXIWMGFLM-IBGZPJMESA-N 1 0 442.520 -0.031 20 0 IBADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cn1 ZINC000682304284 1072800699 /nfs/dbraw/zinc/80/06/99/1072800699.db2.gz AIBDJAXIWMGFLM-LJQANCHMSA-N 1 0 442.520 -0.031 20 0 IBADRO 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ZINC000685057568 1071137315 /nfs/dbraw/zinc/13/73/15/1071137315.db2.gz FQIRLDJCCHNCIG-UHFFFAOYSA-N 1 0 426.539 -0.121 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000685068427 1071144809 /nfs/dbraw/zinc/14/48/09/1071144809.db2.gz WVDNUYSKZSVSBE-KBXCAEBGSA-N 1 0 434.493 -0.238 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000685068428 1071145007 /nfs/dbraw/zinc/14/50/07/1071145007.db2.gz WVDNUYSKZSVSBE-KDOFPFPSSA-N 1 0 434.493 -0.238 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000685068429 1071145861 /nfs/dbraw/zinc/14/58/61/1071145861.db2.gz WVDNUYSKZSVSBE-KSSFIOAISA-N 1 0 434.493 -0.238 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000685068430 1071145839 /nfs/dbraw/zinc/14/58/39/1071145839.db2.gz WVDNUYSKZSVSBE-RDTXWAMCSA-N 1 0 434.493 -0.238 20 0 IBADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000685081665 1071150257 /nfs/dbraw/zinc/15/02/57/1071150257.db2.gz PSASTJDCLKBTIB-HNNXBMFYSA-N 1 0 429.543 -0.306 20 0 IBADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000685081666 1071150189 /nfs/dbraw/zinc/15/01/89/1071150189.db2.gz PSASTJDCLKBTIB-OAHLLOKOSA-N 1 0 429.543 -0.306 20 0 IBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000685108198 1071156728 /nfs/dbraw/zinc/15/67/28/1071156728.db2.gz LAKPRPAVKJBNTB-GOSISDBHSA-N 1 0 438.550 -0.599 20 0 IBADRO CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000685108200 1071156605 /nfs/dbraw/zinc/15/66/05/1071156605.db2.gz LAKPRPAVKJBNTB-SFHVURJKSA-N 1 0 438.550 -0.599 20 0 IBADRO Cn1cc(N2CCN(C(=O)C(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)CC2)cn1 ZINC000685112231 1071157474 /nfs/dbraw/zinc/15/74/74/1071157474.db2.gz SHVFJRZRNGXQHN-UHFFFAOYSA-N 1 0 447.584 -0.188 20 0 IBADRO COC1(CO)CCN(C(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000685112330 1071157428 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/nfs/dbraw/zinc/17/54/33/1071175433.db2.gz LTEWRZAWLPQRGV-YOEHRIQHSA-N 1 0 443.508 -0.318 20 0 IBADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685165082 1071175191 /nfs/dbraw/zinc/17/51/91/1071175191.db2.gz NVVIVGXZUWUYHP-DOTOQJQBSA-N 1 0 432.525 -0.209 20 0 IBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685165088 1071175237 /nfs/dbraw/zinc/17/52/37/1071175237.db2.gz NVVIVGXZUWUYHP-NVXWUHKLSA-N 1 0 432.525 -0.209 20 0 IBADRO C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685165092 1071175402 /nfs/dbraw/zinc/17/54/02/1071175402.db2.gz NVVIVGXZUWUYHP-RDJZCZTQSA-N 1 0 432.525 -0.209 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685165095 1071175392 /nfs/dbraw/zinc/17/53/92/1071175392.db2.gz NVVIVGXZUWUYHP-WBVHZDCISA-N 1 0 432.525 -0.209 20 0 IBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685165562 1071176068 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1071176242 /nfs/dbraw/zinc/17/62/42/1071176242.db2.gz YMRGFRIZROKFMN-HYVNUMGLSA-N 1 0 447.540 -0.911 20 0 IBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000685166111 1071176400 /nfs/dbraw/zinc/17/64/00/1071176400.db2.gz YMRGFRIZROKFMN-OIISXLGYSA-N 1 0 447.540 -0.911 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000685166112 1071176144 /nfs/dbraw/zinc/17/61/44/1071176144.db2.gz YMRGFRIZROKFMN-PVAVHDDUSA-N 1 0 447.540 -0.911 20 0 IBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166628 1071177928 /nfs/dbraw/zinc/17/79/28/1071177928.db2.gz AKDFMXGXJAOHHG-CRAIPNDOSA-N 1 0 432.525 -0.399 20 0 IBADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166630 1071177980 /nfs/dbraw/zinc/17/79/80/1071177980.db2.gz AKDFMXGXJAOHHG-MAUKXSAKSA-N 1 0 432.525 -0.399 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166631 1071177903 /nfs/dbraw/zinc/17/79/03/1071177903.db2.gz AKDFMXGXJAOHHG-QAPCUYQASA-N 1 0 432.525 -0.399 20 0 IBADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166632 1071177864 /nfs/dbraw/zinc/17/78/64/1071177864.db2.gz AKDFMXGXJAOHHG-YJBOKZPZSA-N 1 0 432.525 -0.399 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166823 1071178000 /nfs/dbraw/zinc/17/80/00/1071178000.db2.gz BDLVCPNXOYURNZ-FCLVOEFKSA-N 1 0 446.552 -0.086 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166824 1071177896 /nfs/dbraw/zinc/17/78/96/1071177896.db2.gz BDLVCPNXOYURNZ-FDPIWHGQSA-N 1 0 446.552 -0.086 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166825 1071177779 /nfs/dbraw/zinc/17/77/79/1071177779.db2.gz BDLVCPNXOYURNZ-GRGSLBFTSA-N 1 0 446.552 -0.086 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C(=O)N1c1cnn(C)c1 ZINC000685166826 1071177843 /nfs/dbraw/zinc/17/78/43/1071177843.db2.gz BDLVCPNXOYURNZ-ZWQIFLOQSA-N 1 0 446.552 -0.086 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166876 1071177750 /nfs/dbraw/zinc/17/77/50/1071177750.db2.gz ONUVSZFRJBHJCF-AYBZRNKSSA-N 1 0 445.568 -0.343 20 0 IBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166887 1071178772 /nfs/dbraw/zinc/17/87/72/1071178772.db2.gz ONUVSZFRJBHJCF-HHXXYDBFSA-N 1 0 445.568 -0.343 20 0 IBADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166890 1071179095 /nfs/dbraw/zinc/17/90/95/1071179095.db2.gz ONUVSZFRJBHJCF-SUMDDJOVSA-N 1 0 445.568 -0.343 20 0 IBADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000685166892 1071179042 /nfs/dbraw/zinc/17/90/42/1071179042.db2.gz 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441.554 -0.561 20 0 IBADRO C[NH+]1CCN(C[C@H](NC(=O)NCCS(=O)(=O)N2CCOCC2)c2ccccc2)CC1 ZINC000727843505 1073379729 /nfs/dbraw/zinc/37/97/29/1073379729.db2.gz CMAPUQHLURKSRG-IBGZPJMESA-N 1 0 439.582 -0.064 20 0 IBADRO C[NH+]1CCN(C[C@@H](NC(=O)NCCS(=O)(=O)N2CCOCC2)c2ccccc2)CC1 ZINC000727843507 1073379852 /nfs/dbraw/zinc/37/98/52/1073379852.db2.gz CMAPUQHLURKSRG-LJQANCHMSA-N 1 0 439.582 -0.064 20 0 IBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CC[NH+](CC(C)(C)O)CC3)C2=O)cc1 ZINC000728054542 1073381743 /nfs/dbraw/zinc/38/17/43/1073381743.db2.gz IHKAFYZYPHHTEW-NRFANRHFSA-N 1 0 433.509 -0.118 20 0 IBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CC[NH+](CC(C)(C)O)CC3)C2=O)cc1 ZINC000728054543 1073381731 /nfs/dbraw/zinc/38/17/31/1073381731.db2.gz IHKAFYZYPHHTEW-OAQYLSRUSA-N 1 0 433.509 -0.118 20 0 IBADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CC[NH+](CC(C)(C)O)CC3)C2=O)c1 ZINC000728172670 1073384326 /nfs/dbraw/zinc/38/43/26/1073384326.db2.gz IYRUEOOMSJZRHM-NRFANRHFSA-N 1 0 433.509 -0.118 20 0 IBADRO 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UTLVLIKKXSOVCK-CQSZACIVSA-N 1 0 435.506 -0.096 20 0 IBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C[C@@H](C)O1 ZINC000729503886 1072295935 /nfs/dbraw/zinc/29/59/35/1072295935.db2.gz YJGGUWFWHAYHAZ-BRSBDYLESA-N 1 0 445.586 -0.469 20 0 IBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C[C@H](C)O1 ZINC000729503889 1072295911 /nfs/dbraw/zinc/29/59/11/1072295911.db2.gz YJGGUWFWHAYHAZ-XMTFNYHQSA-N 1 0 445.586 -0.469 20 0 IBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C[C@H](C)O1 ZINC000729503891 1072295956 /nfs/dbraw/zinc/29/59/56/1072295956.db2.gz YJGGUWFWHAYHAZ-XWTMOSNGSA-N 1 0 445.586 -0.469 20 0 IBADRO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C[C@@H](C)O1 ZINC000729503893 1072295730 /nfs/dbraw/zinc/29/57/30/1072295730.db2.gz YJGGUWFWHAYHAZ-ZJPYXAASSA-N 1 0 445.586 -0.469 20 0 IBADRO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729504305 1072295396 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CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000743913692 1073553084 /nfs/dbraw/zinc/55/30/84/1073553084.db2.gz GXOAUIRKKUHRTA-HOTGVXAUSA-N 1 0 436.534 -0.147 20 0 IBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC000743913693 1073552947 /nfs/dbraw/zinc/55/29/47/1073552947.db2.gz GXOAUIRKKUHRTA-HZPDHXFCSA-N 1 0 436.534 -0.147 20 0 IBADRO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000743913694 1073553119 /nfs/dbraw/zinc/55/31/19/1073553119.db2.gz GXOAUIRKKUHRTA-JKSUJKDBSA-N 1 0 436.534 -0.147 20 0 IBADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)C1 ZINC000743920304 1073554790 /nfs/dbraw/zinc/55/47/90/1073554790.db2.gz VUXAAKBSLWTRKK-GOSISDBHSA-N 1 0 447.536 -0.243 20 0 IBADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)C1 ZINC000743920305 1073554948 /nfs/dbraw/zinc/55/49/48/1073554948.db2.gz VUXAAKBSLWTRKK-SFHVURJKSA-N 1 0 447.536 -0.243 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)cc2)CC1 ZINC000743928579 1073555043 /nfs/dbraw/zinc/55/50/43/1073555043.db2.gz OMQPCJCIYCRMFP-UHFFFAOYSA-N 1 0 426.539 -0.056 20 0 IBADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)c2)CC1 ZINC000743931299 1073554864 /nfs/dbraw/zinc/55/48/64/1073554864.db2.gz CHFHVKDJBRYRTI-UHFFFAOYSA-N 1 0 426.539 -0.450 20 0 IBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)cc2)CC1 ZINC000743932855 1073555408 /nfs/dbraw/zinc/55/54/08/1073555408.db2.gz PEEGSJPLISYDGC-UHFFFAOYSA-N 1 0 426.539 -0.056 20 0 IBADRO COCCC[N@H+](C)CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000743935823 1073554141 /nfs/dbraw/zinc/55/41/41/1073554141.db2.gz XEBZUEFOSDHIQV-UHFFFAOYSA-N 1 0 426.539 -0.090 20 0 IBADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000743943722 1073554284 /nfs/dbraw/zinc/55/42/84/1073554284.db2.gz DOBZSUUJHTWGLQ-HNNXBMFYSA-N 1 0 440.522 -0.012 20 0 IBADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000743943726 1073554111 /nfs/dbraw/zinc/55/41/11/1073554111.db2.gz DOBZSUUJHTWGLQ-OAHLLOKOSA-N 1 0 440.522 -0.012 20 0 IBADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000743980450 1073555976 /nfs/dbraw/zinc/55/59/76/1073555976.db2.gz MOPKYRTXKRVFCU-AWEZNQCLSA-N 1 0 437.522 -0.654 20 0 IBADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000743980462 1073555844 /nfs/dbraw/zinc/55/58/44/1073555844.db2.gz MOPKYRTXKRVFCU-CQSZACIVSA-N 1 0 437.522 -0.654 20 0 IBADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000743981893 1073556038 /nfs/dbraw/zinc/55/60/38/1073556038.db2.gz VBMHDLFKEQCDGS-HNNXBMFYSA-N 1 0 438.554 -0.298 20 0 IBADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000743981894 1073555928 /nfs/dbraw/zinc/55/59/28/1073555928.db2.gz VBMHDLFKEQCDGS-OAHLLOKOSA-N 1 0 438.554 -0.298 20 0 IBADRO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000744262246 1073559539 /nfs/dbraw/zinc/55/95/39/1073559539.db2.gz XZNQFXFDOWCLOA-UHFFFAOYSA-N 1 0 432.568 -0.327 20 0 IBADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)CC1 ZINC000744418363 1073561201 /nfs/dbraw/zinc/56/12/01/1073561201.db2.gz AKJCOGNWMFPYKH-HRAATJIYSA-N 1 0 433.509 -0.118 20 0 IBADRO CC[C@H](CO)[NH+]1CCN(CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)CC1 ZINC000744418364 1073561747 /nfs/dbraw/zinc/56/17/47/1073561747.db2.gz AKJCOGNWMFPYKH-IERDGZPVSA-N 1 0 433.509 -0.118 20 0 IBADRO CC[C@H](CO)[NH+]1CCN(CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)CC1 ZINC000744418365 1073561587 /nfs/dbraw/zinc/56/15/87/1073561587.db2.gz AKJCOGNWMFPYKH-IIBYNOLFSA-N 1 0 433.509 -0.118 20 0 IBADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)CC1 ZINC000744418367 1073561778 /nfs/dbraw/zinc/56/17/78/1073561778.db2.gz AKJCOGNWMFPYKH-KKSFZXQISA-N 1 0 433.509 -0.118 20 0 IBADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000744418545 1073561033 /nfs/dbraw/zinc/56/10/33/1073561033.db2.gz GSKRWJUTTBDNKR-HRAATJIYSA-N 1 0 433.509 -0.118 20 0 IBADRO CC[C@H](CO)[NH+]1CCN(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000744418546 1073561136 /nfs/dbraw/zinc/56/11/36/1073561136.db2.gz GSKRWJUTTBDNKR-IERDGZPVSA-N 1 0 433.509 -0.118 20 0 IBADRO CC[C@H](CO)[NH+]1CCN(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000744418547 1073561061 /nfs/dbraw/zinc/56/10/61/1073561061.db2.gz GSKRWJUTTBDNKR-IIBYNOLFSA-N 1 0 433.509 -0.118 20 0 IBADRO CC[C@@H](CO)[NH+]1CCN(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000744418548 1073561085 /nfs/dbraw/zinc/56/10/85/1073561085.db2.gz GSKRWJUTTBDNKR-KKSFZXQISA-N 1 0 433.509 -0.118 20 0 IBADRO CN(CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000744447355 1073561767 /nfs/dbraw/zinc/56/17/67/1073561767.db2.gz BSBQGPRYHLPBHQ-UHFFFAOYSA-N 1 0 435.550 -0.016 20 0 IBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000744601938 1073564433 /nfs/dbraw/zinc/56/44/33/1073564433.db2.gz HKGJBHULQOVWGB-UHFFFAOYSA-N 1 0 434.497 -0.644 20 0 IBADRO Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cn1C ZINC000744914768 1073569325 /nfs/dbraw/zinc/56/93/25/1073569325.db2.gz QLTQLUAWYANBEJ-UHFFFAOYSA-N 1 0 429.543 -0.071 20 0 IBADRO O=C(COC(=O)c1ccc(S(=O)(=O)NCCO)s1)NC1CC[NH+](C2CC2)CC1 ZINC000745151643 1073570615 /nfs/dbraw/zinc/57/06/15/1073570615.db2.gz OKQDZFJOVIZJAR-UHFFFAOYSA-N 1 0 431.536 -0.082 20 0 IBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000745358423 1073575527 /nfs/dbraw/zinc/57/55/27/1073575527.db2.gz ZSPUFRARSBMSSY-CYBMUJFWSA-N 1 0 441.554 -0.010 20 0 IBADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000745358426 1073575577 /nfs/dbraw/zinc/57/55/77/1073575577.db2.gz ZSPUFRARSBMSSY-ZDUSSCGKSA-N 1 0 441.554 -0.010 20 0 IBADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cn(CC(N)=O)nn3)CC2)cc1 ZINC000745471010 1073577525 /nfs/dbraw/zinc/57/75/25/1073577525.db2.gz OVTWNHVGKWBKHV-UHFFFAOYSA-N 1 0 430.465 -0.337 20 0 IBADRO CN1CCC(CNC(=O)NCCS(=O)(=O)N2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000745789601 1073580731 /nfs/dbraw/zinc/58/07/31/1073580731.db2.gz OBHGLVUGSHXVEX-UHFFFAOYSA-N 1 0 431.603 -0.102 20 0 IBADRO Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3N3CC[NH+](C)CC3)CC2)c1=O ZINC000746042099 1073582719 /nfs/dbraw/zinc/58/27/19/1073582719.db2.gz RYSBXGFCNKHSEU-UHFFFAOYSA-N 1 0 439.520 -0.181 20 0 IBADRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)C1 ZINC000746046298 1073582774 /nfs/dbraw/zinc/58/27/74/1073582774.db2.gz WJZLQARUULIHQS-AWEZNQCLSA-N 1 0 445.563 -0.099 20 0 IBADRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)C1 ZINC000746046299 1073582672 /nfs/dbraw/zinc/58/26/72/1073582672.db2.gz WJZLQARUULIHQS-CQSZACIVSA-N 1 0 445.563 -0.099 20 0 IBADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1=O ZINC000746131405 1073583247 /nfs/dbraw/zinc/58/32/47/1073583247.db2.gz VNSJTCHOOOTAFS-HNNXBMFYSA-N 1 0 433.534 -0.310 20 0 IBADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1=O ZINC000746131407 1073583418 /nfs/dbraw/zinc/58/34/18/1073583418.db2.gz VNSJTCHOOOTAFS-OAHLLOKOSA-N 1 0 433.534 -0.310 20 0 IBADRO CC[NH+](CC)CCSCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000746132249 1073583866 /nfs/dbraw/zinc/58/38/66/1073583866.db2.gz STDIVOCRAJGCDZ-HNNXBMFYSA-N 1 0 441.641 -0.278 20 0 IBADRO CC[NH+](CC)CCSCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000746132250 1073583882 /nfs/dbraw/zinc/58/38/82/1073583882.db2.gz STDIVOCRAJGCDZ-OAHLLOKOSA-N 1 0 441.641 -0.278 20 0 IBADRO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000746149181 1073583788 /nfs/dbraw/zinc/58/37/88/1073583788.db2.gz KWUXAYWJNJIURJ-INIZCTEOSA-N 1 0 439.557 -0.066 20 0 IBADRO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000746149193 1073583729 /nfs/dbraw/zinc/58/37/29/1073583729.db2.gz KWUXAYWJNJIURJ-MRXNPFEDSA-N 1 0 439.557 -0.066 20 0 IBADRO C[NH+](C)CCN1C[C@@H](C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC000746150581 1073584249 /nfs/dbraw/zinc/58/42/49/1073584249.db2.gz VTBSPAPUERUUQR-HNNXBMFYSA-N 1 0 425.530 -0.408 20 0 IBADRO C[NH+](C)CCN1C[C@H](C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC000746150585 1073584203 /nfs/dbraw/zinc/58/42/03/1073584203.db2.gz VTBSPAPUERUUQR-OAHLLOKOSA-N 1 0 425.530 -0.408 20 0 IBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000746364428 1073588280 /nfs/dbraw/zinc/58/82/80/1073588280.db2.gz DPJYDCSLGBJELM-UHFFFAOYSA-N 1 0 429.547 -0.886 20 0 IBADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000746448214 1073591810 /nfs/dbraw/zinc/59/18/10/1073591810.db2.gz BDVRMOXBVHUMOI-UHFFFAOYSA-N 1 0 446.533 -0.133 20 0 IBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CC[NH+](CCCCO)CC2)CC1 ZINC000746483269 1073593365 /nfs/dbraw/zinc/59/33/65/1073593365.db2.gz ALUSDTXFUXNADE-UHFFFAOYSA-N 1 0 443.570 -0.486 20 0 IBADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CC[NH+](CCCCO)CC3)C2=O)c1 ZINC000746487529 1073628089 /nfs/dbraw/zinc/62/80/89/1073628089.db2.gz GRDOXYBFNJHCRK-NRFANRHFSA-N 1 0 433.509 -0.117 20 0 IBADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CC[NH+](CCCCO)CC3)C2=O)c1 ZINC000746487535 1073628043 /nfs/dbraw/zinc/62/80/43/1073628043.db2.gz GRDOXYBFNJHCRK-OAQYLSRUSA-N 1 0 433.509 -0.117 20 0 IBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CC[NH+](CCCCO)CC3)C2=O)cc1 ZINC000746488597 1073628144 /nfs/dbraw/zinc/62/81/44/1073628144.db2.gz MKLNXVMHZAZSGG-NRFANRHFSA-N 1 0 433.509 -0.117 20 0 IBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CC[NH+](CCCCO)CC3)C2=O)cc1 ZINC000746488598 1073627932 /nfs/dbraw/zinc/62/79/32/1073627932.db2.gz MKLNXVMHZAZSGG-OAQYLSRUSA-N 1 0 433.509 -0.117 20 0 IBADRO C[C@@]1(C2CC[NH+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)NC(=O)NC1=O ZINC000746496310 1073675092 /nfs/dbraw/zinc/67/50/92/1073675092.db2.gz GHBNDKCKJMOEQA-IBGZPJMESA-N 1 0 434.497 -0.028 20 0 IBADRO C[C@]1(C2CC[NH+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)NC(=O)NC1=O ZINC000746496313 1073675157 /nfs/dbraw/zinc/67/51/57/1073675157.db2.gz GHBNDKCKJMOEQA-LJQANCHMSA-N 1 0 434.497 -0.028 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccn(CCS(C)(=O)=O)n2)cn1 ZINC000746727093 1073763947 /nfs/dbraw/zinc/76/39/47/1073763947.db2.gz ALQKPESRMPFSIC-UHFFFAOYSA-N 1 0 426.503 -0.554 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000746729284 1073764724 /nfs/dbraw/zinc/76/47/24/1073764724.db2.gz UQGWGXVOFGMDBX-AWEZNQCLSA-N 1 0 448.571 -0.889 20 0 IBADRO C[NH+](C)CCn1ccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000746729285 1073764659 /nfs/dbraw/zinc/76/46/59/1073764659.db2.gz UQGWGXVOFGMDBX-CQSZACIVSA-N 1 0 448.571 -0.889 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000746915580 1073798776 /nfs/dbraw/zinc/79/87/76/1073798776.db2.gz OOWSIQZIRDNIBD-AWEZNQCLSA-N 1 0 433.465 -0.336 20 0 IBADRO 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20 0 IBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CON=C(N)C2=C(N)C3(CCCC3)N(C)C2=O)C1 ZINC000749790198 1072856002 /nfs/dbraw/zinc/85/60/02/1072856002.db2.gz UYRYCLNTIUDXLX-OAHLLOKOSA-N 1 0 436.557 -0.045 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000749941506 1072857607 /nfs/dbraw/zinc/85/76/07/1072857607.db2.gz GZXXTGTUWBFQRY-INIZCTEOSA-N 1 0 440.522 -0.500 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000749941509 1072857426 /nfs/dbraw/zinc/85/74/26/1072857426.db2.gz GZXXTGTUWBFQRY-MRXNPFEDSA-N 1 0 440.522 -0.500 20 0 IBADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000750009061 1072858683 /nfs/dbraw/zinc/85/86/83/1072858683.db2.gz CTIPCLCPAUFUBM-HNNXBMFYSA-N 1 0 446.526 -0.414 20 0 IBADRO Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000750009102 1072858416 /nfs/dbraw/zinc/85/84/16/1072858416.db2.gz CTIPCLCPAUFUBM-OAHLLOKOSA-N 1 0 446.526 -0.414 20 0 IBADRO O=C(CN1CC[NH+](CCCCO)CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000750057356 1072859424 /nfs/dbraw/zinc/85/94/24/1072859424.db2.gz VUCBFGSZAPGKCS-NRFANRHFSA-N 1 0 446.548 -0.113 20 0 IBADRO O=C(CN1CC[NH+](CCCCO)CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000750057357 1072859718 /nfs/dbraw/zinc/85/97/18/1072859718.db2.gz VUCBFGSZAPGKCS-OAQYLSRUSA-N 1 0 446.548 -0.113 20 0 IBADRO Cn1cc(N2CCN(C(=O)C(=O)Nc3ccccc3N3CC[NH+](C)CC3)CC2=O)cn1 ZINC000750258229 1072861865 /nfs/dbraw/zinc/86/18/65/1072861865.db2.gz UEHCLOVNAQROMO-UHFFFAOYSA-N 1 0 425.493 -0.014 20 0 IBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000750652080 1072868852 /nfs/dbraw/zinc/86/88/52/1072868852.db2.gz XZMILTYQYDJIIY-AWEZNQCLSA-N 1 0 436.944 -0.033 20 0 IBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000750652086 1072868787 /nfs/dbraw/zinc/86/87/87/1072868787.db2.gz XZMILTYQYDJIIY-CQSZACIVSA-N 1 0 436.944 -0.033 20 0 IBADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000750735146 1072871014 /nfs/dbraw/zinc/87/10/14/1072871014.db2.gz UIFKLVGUYSFOFD-AWEZNQCLSA-N 1 0 444.554 -0.116 20 0 IBADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000750735147 1072870978 /nfs/dbraw/zinc/87/09/78/1072870978.db2.gz UIFKLVGUYSFOFD-CQSZACIVSA-N 1 0 444.554 -0.116 20 0 IBADRO CC[NH+](CC)CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@H]1CCS(=O)(=O)C1 ZINC000750894842 1072871970 /nfs/dbraw/zinc/87/19/70/1072871970.db2.gz LNNPUFLIVUZIRD-INIZCTEOSA-N 1 0 444.579 -0.159 20 0 IBADRO CC[NH+](CC)CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@@H]1CCS(=O)(=O)C1 ZINC000750894850 1072871888 /nfs/dbraw/zinc/87/18/88/1072871888.db2.gz LNNPUFLIVUZIRD-MRXNPFEDSA-N 1 0 444.579 -0.159 20 0 IBADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000751084474 1072873517 /nfs/dbraw/zinc/87/35/17/1072873517.db2.gz KEBAAWOQVDESJO-UHFFFAOYSA-N 1 0 447.602 -0.426 20 0 IBADRO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000752461910 1072885237 /nfs/dbraw/zinc/88/52/37/1072885237.db2.gz XRFBLFRFCVNINP-NRFANRHFSA-N 1 0 435.525 -0.651 20 0 IBADRO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2)CC1 ZINC000752461917 1072885377 /nfs/dbraw/zinc/88/53/77/1072885377.db2.gz XRFBLFRFCVNINP-OAQYLSRUSA-N 1 0 435.525 -0.651 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)cn1 ZINC000752466764 1072885218 /nfs/dbraw/zinc/88/52/18/1072885218.db2.gz OLNCQLKTPFNOOI-NRFANRHFSA-N 1 0 428.493 -0.550 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@]2(O)CCc3ccccc32)cn1 ZINC000752466804 1072885334 /nfs/dbraw/zinc/88/53/34/1072885334.db2.gz OLNCQLKTPFNOOI-OAQYLSRUSA-N 1 0 428.493 -0.550 20 0 IBADRO CNS(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1F ZINC000752633728 1072887014 /nfs/dbraw/zinc/88/70/14/1072887014.db2.gz PLBVBXDRYHHKRY-UHFFFAOYSA-N 1 0 426.474 -0.140 20 0 IBADRO NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000752738223 1072887308 /nfs/dbraw/zinc/88/73/08/1072887308.db2.gz BIIOMEVUBREYSX-SFHVURJKSA-N 1 0 448.520 -0.158 20 0 IBADRO CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1=O ZINC000752741000 1072887390 /nfs/dbraw/zinc/88/73/90/1072887390.db2.gz UUCOWYBAVYSBLS-UHFFFAOYSA-N 1 0 430.505 -0.131 20 0 IBADRO CN(CC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000752741531 1072887475 /nfs/dbraw/zinc/88/74/75/1072887475.db2.gz OVGUCDIDUULALD-UHFFFAOYSA-N 1 0 436.534 -0.247 20 0 IBADRO Cn1cc(/C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(=O)n(C)c1=O ZINC000753170127 1072889969 /nfs/dbraw/zinc/88/99/69/1072889969.db2.gz RXXIURHJGIZCKK-LENZSSGSSA-N 1 0 427.505 -0.498 20 0 IBADRO Cn1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c(=O)n(C)c1=O ZINC000753170236 1072889807 /nfs/dbraw/zinc/88/98/07/1072889807.db2.gz RXXIURHJGIZCKK-ZGKFYVQTSA-N 1 0 427.505 -0.498 20 0 IBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000753296120 1072890711 /nfs/dbraw/zinc/89/07/11/1072890711.db2.gz DMIJXCSIUJJWND-SFHVURJKSA-N 1 0 445.545 -0.111 20 0 IBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000753297577 1072890980 /nfs/dbraw/zinc/89/09/80/1072890980.db2.gz SFRBJOCLHMQCBO-SFHVURJKSA-N 1 0 445.545 -0.111 20 0 IBADRO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000753911865 1072896064 /nfs/dbraw/zinc/89/60/64/1072896064.db2.gz CNLUMCNJERQEHL-UHFFFAOYSA-N 1 0 438.506 -0.223 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 ZINC000754142859 1072898460 /nfs/dbraw/zinc/89/84/60/1072898460.db2.gz UGMHOPAGIVYJRB-HNNXBMFYSA-N 1 0 431.511 -0.041 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 ZINC000754142904 1072898206 /nfs/dbraw/zinc/89/82/06/1072898206.db2.gz UGMHOPAGIVYJRB-OAHLLOKOSA-N 1 0 431.511 -0.041 20 0 IBADRO CCN(C(=O)[C@@H](C)ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000754276936 1072899529 /nfs/dbraw/zinc/89/95/29/1072899529.db2.gz HWKVVWRESOKNKF-CHWSQXEVSA-N 1 0 441.554 -0.093 20 0 IBADRO CCN(C(=O)[C@@H](C)ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000754276951 1072899477 /nfs/dbraw/zinc/89/94/77/1072899477.db2.gz HWKVVWRESOKNKF-OLZOCXBDSA-N 1 0 441.554 -0.093 20 0 IBADRO CCN(C(=O)[C@H](C)ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000754276954 1072899489 /nfs/dbraw/zinc/89/94/89/1072899489.db2.gz HWKVVWRESOKNKF-QWHCGFSZSA-N 1 0 441.554 -0.093 20 0 IBADRO CCN(C(=O)[C@H](C)ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000754276956 1072899387 /nfs/dbraw/zinc/89/93/87/1072899387.db2.gz HWKVVWRESOKNKF-STQMWFEESA-N 1 0 441.554 -0.093 20 0 IBADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@@H](CC(N)=O)C3CCOCC3)C2=O)c1 ZINC000754504710 1072903784 /nfs/dbraw/zinc/90/37/84/1072903784.db2.gz ZTYLVCGRUIWUOP-HRAATJIYSA-N 1 0 447.492 -0.246 20 0 IBADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](CC(N)=O)C3CCOCC3)C2=O)c1 ZINC000754504711 1072903505 /nfs/dbraw/zinc/90/35/05/1072903505.db2.gz ZTYLVCGRUIWUOP-IERDGZPVSA-N 1 0 447.492 -0.246 20 0 IBADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](CC(N)=O)C3CCOCC3)C2=O)c1 ZINC000754504712 1072903706 /nfs/dbraw/zinc/90/37/06/1072903706.db2.gz ZTYLVCGRUIWUOP-IIBYNOLFSA-N 1 0 447.492 -0.246 20 0 IBADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@@H](CC(N)=O)C3CCOCC3)C2=O)c1 ZINC000754504713 1072903464 /nfs/dbraw/zinc/90/34/64/1072903464.db2.gz ZTYLVCGRUIWUOP-KKSFZXQISA-N 1 0 447.492 -0.246 20 0 IBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@@H](CC(N)=O)C3CCOCC3)C2=O)cc1 ZINC000754506672 1072904381 /nfs/dbraw/zinc/90/43/81/1072904381.db2.gz YWYXXXBHLIEOIX-HRAATJIYSA-N 1 0 447.492 -0.246 20 0 IBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](CC(N)=O)C3CCOCC3)C2=O)cc1 ZINC000754506674 1072904347 /nfs/dbraw/zinc/90/43/47/1072904347.db2.gz YWYXXXBHLIEOIX-IERDGZPVSA-N 1 0 447.492 -0.246 20 0 IBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](CC(N)=O)C3CCOCC3)C2=O)cc1 ZINC000754506677 1072904254 /nfs/dbraw/zinc/90/42/54/1072904254.db2.gz YWYXXXBHLIEOIX-IIBYNOLFSA-N 1 0 447.492 -0.246 20 0 IBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@@H](CC(N)=O)C3CCOCC3)C2=O)cc1 ZINC000754506679 1072904221 /nfs/dbraw/zinc/90/42/21/1072904221.db2.gz YWYXXXBHLIEOIX-KKSFZXQISA-N 1 0 447.492 -0.246 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(CCS(N)(=O)=O)CC3)cc2)CC1 ZINC000754664817 1072907090 /nfs/dbraw/zinc/90/70/90/1072907090.db2.gz LHYFEYKTCWUULT-UHFFFAOYSA-N 1 0 438.598 -0.327 20 0 IBADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC000754936022 1072910416 /nfs/dbraw/zinc/91/04/16/1072910416.db2.gz BNNIILMQTCKKMP-INIZCTEOSA-N 1 0 440.570 -0.505 20 0 IBADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC000754936025 1072910464 /nfs/dbraw/zinc/91/04/64/1072910464.db2.gz BNNIILMQTCKKMP-MRXNPFEDSA-N 1 0 440.570 -0.505 20 0 IBADRO 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COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000766600822 1073594996 /nfs/dbraw/zinc/59/49/96/1073594996.db2.gz GQCJTRWKLOJSOS-KRWDZBQOSA-N 1 0 431.493 -0.025 20 0 IBADRO COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000766600823 1073595141 /nfs/dbraw/zinc/59/51/41/1073595141.db2.gz GQCJTRWKLOJSOS-QGZVFWFLSA-N 1 0 431.493 -0.025 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000766601252 1073595083 /nfs/dbraw/zinc/59/50/83/1073595083.db2.gz AZPDOZGBPJEINB-GOSISDBHSA-N 1 0 442.520 -0.674 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000766601253 1073595344 /nfs/dbraw/zinc/59/53/44/1073595344.db2.gz AZPDOZGBPJEINB-SFHVURJKSA-N 1 0 442.520 -0.674 20 0 IBADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766841643 1073606068 /nfs/dbraw/zinc/60/60/68/1073606068.db2.gz QUFDJZQXWNBINF-SFHVURJKSA-N 1 0 440.566 -0.051 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000766984297 1073611583 /nfs/dbraw/zinc/61/15/83/1073611583.db2.gz KDRWVOLNSMAKAK-KRWDZBQOSA-N 1 0 429.587 -0.557 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000766984299 1073611683 /nfs/dbraw/zinc/61/16/83/1073611683.db2.gz KDRWVOLNSMAKAK-QGZVFWFLSA-N 1 0 429.587 -0.557 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000767024499 1073612423 /nfs/dbraw/zinc/61/24/23/1073612423.db2.gz GZYZSMJQPZYYHW-INIZCTEOSA-N 1 0 434.541 -0.099 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000767024500 1073612282 /nfs/dbraw/zinc/61/22/82/1073612282.db2.gz GZYZSMJQPZYYHW-MRXNPFEDSA-N 1 0 434.541 -0.099 20 0 IBADRO CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC1)C2=O ZINC000767037958 1073612259 /nfs/dbraw/zinc/61/22/59/1073612259.db2.gz LHHJPTSCGHURAV-TZQQIIETSA-N 1 0 434.541 -0.243 20 0 IBADRO CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC1)C2=O ZINC000767037959 1073613038 /nfs/dbraw/zinc/61/30/38/1073613038.db2.gz LHHJPTSCGHURAV-ZGOJQLDESA-N 1 0 434.541 -0.243 20 0 IBADRO Cn1cc(/C=C\C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)c(=O)n(C)c1=O ZINC000767146936 1073613802 /nfs/dbraw/zinc/61/38/02/1073613802.db2.gz AUBLLROXZMOBGX-IDPBEMBBSA-N 1 0 437.500 -0.188 20 0 IBADRO Cn1cc(/C=C/C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)c(=O)n(C)c1=O ZINC000767146939 1073614492 /nfs/dbraw/zinc/61/44/92/1073614492.db2.gz AUBLLROXZMOBGX-WARJXXDVSA-N 1 0 437.500 -0.188 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000767488364 1073619721 /nfs/dbraw/zinc/61/97/21/1073619721.db2.gz YPMFXXQNDKUSNK-CVEARBPZSA-N 1 0 434.555 -0.015 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000767488365 1073619906 /nfs/dbraw/zinc/61/99/06/1073619906.db2.gz YPMFXXQNDKUSNK-HOTGVXAUSA-N 1 0 434.555 -0.015 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000767488367 1073619779 /nfs/dbraw/zinc/61/97/79/1073619779.db2.gz YPMFXXQNDKUSNK-HZPDHXFCSA-N 1 0 434.555 -0.015 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)C1 ZINC000767488370 1073619826 /nfs/dbraw/zinc/61/98/26/1073619826.db2.gz YPMFXXQNDKUSNK-JKSUJKDBSA-N 1 0 434.555 -0.015 20 0 IBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2F)CC1 ZINC000768111203 1073634909 /nfs/dbraw/zinc/63/49/09/1073634909.db2.gz DPDVJOXDEGBKNP-UHFFFAOYSA-N 1 0 435.500 -0.042 20 0 IBADRO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000768143527 1073634952 /nfs/dbraw/zinc/63/49/52/1073634952.db2.gz BCBVGJFCAGEGBI-UHFFFAOYSA-N 1 0 427.527 -0.121 20 0 IBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nnnn3CC[NH+](C)C)C2=O)cc1 ZINC000768294896 1073637521 /nfs/dbraw/zinc/63/75/21/1073637521.db2.gz HSTQGJUUEJAHRV-GOSISDBHSA-N 1 0 448.509 -0.166 20 0 IBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)CSc3nnnn3CC[NH+](C)C)C2=O)cc1 ZINC000768294897 1073637491 /nfs/dbraw/zinc/63/74/91/1073637491.db2.gz HSTQGJUUEJAHRV-SFHVURJKSA-N 1 0 448.509 -0.166 20 0 IBADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000768313108 1073637465 /nfs/dbraw/zinc/63/74/65/1073637465.db2.gz SWIUEGUBLVUPCU-KRWDZBQOSA-N 1 0 427.546 -0.116 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2COc3ccccc3C2)cn1 ZINC000768702129 1073640826 /nfs/dbraw/zinc/64/08/26/1073640826.db2.gz OFOYGADYQHDJQY-HNNXBMFYSA-N 1 0 428.493 -0.133 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2COc3ccccc3C2)cn1 ZINC000768702133 1073640732 /nfs/dbraw/zinc/64/07/32/1073640732.db2.gz OFOYGADYQHDJQY-OAHLLOKOSA-N 1 0 428.493 -0.133 20 0 IBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000768716405 1073640788 /nfs/dbraw/zinc/64/07/88/1073640788.db2.gz VZGVIMNIDQHCIV-UHFFFAOYSA-N 1 0 429.547 -0.886 20 0 IBADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000768716757 1073640696 /nfs/dbraw/zinc/64/06/96/1073640696.db2.gz YXZNBORXDJNDGM-UHFFFAOYSA-N 1 0 435.510 -0.063 20 0 IBADRO CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000768716890 1073640938 /nfs/dbraw/zinc/64/09/38/1073640938.db2.gz OBCSMWPUPPABGX-AWEZNQCLSA-N 1 0 437.501 -0.764 20 0 IBADRO CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000768716894 1073640764 /nfs/dbraw/zinc/64/07/64/1073640764.db2.gz OBCSMWPUPPABGX-CQSZACIVSA-N 1 0 437.501 -0.764 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@]2(O)CCCc3ccccc32)cn1 ZINC000768718757 1073641451 /nfs/dbraw/zinc/64/14/51/1073641451.db2.gz JQWGMABFSCHEMA-JOCHJYFZSA-N 1 0 442.520 -0.160 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@]2(O)CCCc3ccccc32)cn1 ZINC000768718758 1073641524 /nfs/dbraw/zinc/64/15/24/1073641524.db2.gz JQWGMABFSCHEMA-QFIPXVFZSA-N 1 0 442.520 -0.160 20 0 IBADRO COc1c(C)cnc(CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1C ZINC000768719183 1073641585 /nfs/dbraw/zinc/64/15/85/1073641585.db2.gz BMPMDJJJZOQADF-UHFFFAOYSA-N 1 0 431.497 -0.164 20 0 IBADRO CCOC(=O)N1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000768719207 1073641400 /nfs/dbraw/zinc/64/14/00/1073641400.db2.gz CDHACJBBSNOXHB-UHFFFAOYSA-N 1 0 437.501 -0.810 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCCC3=O)C2)cn1 ZINC000768719628 1073641478 /nfs/dbraw/zinc/64/14/78/1073641478.db2.gz AEMCKKJJOLFTFC-KRWDZBQOSA-N 1 0 447.540 -0.497 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cn1 ZINC000768719629 1073641416 /nfs/dbraw/zinc/64/14/16/1073641416.db2.gz AEMCKKJJOLFTFC-QGZVFWFLSA-N 1 0 447.540 -0.497 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2CN2CCCC2=O)cn1 ZINC000768719632 1073641515 /nfs/dbraw/zinc/64/15/15/1073641515.db2.gz AHOFGKVZVLHOCP-KRWDZBQOSA-N 1 0 447.540 -0.497 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCCC2=O)cn1 ZINC000768719633 1073641549 /nfs/dbraw/zinc/64/15/49/1073641549.db2.gz AHOFGKVZVLHOCP-QGZVFWFLSA-N 1 0 447.540 -0.497 20 0 IBADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H](O)c1ccc(F)cc1 ZINC000768722181 1073641600 /nfs/dbraw/zinc/64/16/00/1073641600.db2.gz PIGYAPSGAGWCDD-ACJLOTCBSA-N 1 0 434.472 -0.123 20 0 IBADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H](O)c1ccc(F)cc1 ZINC000768722184 1073641443 /nfs/dbraw/zinc/64/14/43/1073641443.db2.gz PIGYAPSGAGWCDD-FZKQIMNGSA-N 1 0 434.472 -0.123 20 0 IBADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H](O)c1ccc(F)cc1 ZINC000768722187 1073641507 /nfs/dbraw/zinc/64/15/07/1073641507.db2.gz PIGYAPSGAGWCDD-SCLBCKFNSA-N 1 0 434.472 -0.123 20 0 IBADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H](O)c1ccc(F)cc1 ZINC000768722189 1073641427 /nfs/dbraw/zinc/64/14/27/1073641427.db2.gz PIGYAPSGAGWCDD-UGSOOPFHSA-N 1 0 434.472 -0.123 20 0 IBADRO Cc1cc([C@@](C)(O)CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(C)o1 ZINC000768724131 1073641465 /nfs/dbraw/zinc/64/14/65/1073641465.db2.gz GSLADYJWGANYRM-FQEVSTJZSA-N 1 0 434.497 -0.267 20 0 IBADRO Cc1cc([C@](C)(O)CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c(C)o1 ZINC000768724132 1073641556 /nfs/dbraw/zinc/64/15/56/1073641556.db2.gz GSLADYJWGANYRM-HXUWFJFHSA-N 1 0 434.497 -0.267 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2nnc(-c3ccccc3)[nH]2)cn1 ZINC000768725406 1073641527 /nfs/dbraw/zinc/64/15/27/1073641527.db2.gz RWMDRZCFBQDYFT-UHFFFAOYSA-N 1 0 439.480 -0.399 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)cn1 ZINC000768725697 1073642178 /nfs/dbraw/zinc/64/21/78/1073642178.db2.gz WFFBIVYWZDSVNL-HNNXBMFYSA-N 1 0 438.435 -0.373 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)cn1 ZINC000768725714 1073642209 /nfs/dbraw/zinc/64/22/09/1073642209.db2.gz WFFBIVYWZDSVNL-OAHLLOKOSA-N 1 0 438.435 -0.373 20 0 IBADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H](O)c1cccc(F)c1 ZINC000768729319 1073642272 /nfs/dbraw/zinc/64/22/72/1073642272.db2.gz USVZLRKVULZFKJ-ACJLOTCBSA-N 1 0 434.472 -0.123 20 0 IBADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H](O)c1cccc(F)c1 ZINC000768729322 1073642202 /nfs/dbraw/zinc/64/22/02/1073642202.db2.gz USVZLRKVULZFKJ-FZKQIMNGSA-N 1 0 434.472 -0.123 20 0 IBADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H](O)c1cccc(F)c1 ZINC000768729325 1073642255 /nfs/dbraw/zinc/64/22/55/1073642255.db2.gz USVZLRKVULZFKJ-SCLBCKFNSA-N 1 0 434.472 -0.123 20 0 IBADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H](O)c1cccc(F)c1 ZINC000768729328 1073642780 /nfs/dbraw/zinc/64/27/80/1073642780.db2.gz USVZLRKVULZFKJ-UGSOOPFHSA-N 1 0 434.472 -0.123 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2cn(-c3ccccc3)nn2)cn1 ZINC000768730118 1073642841 /nfs/dbraw/zinc/64/28/41/1073642841.db2.gz ALLTUVJTBTYLMD-UHFFFAOYSA-N 1 0 439.480 -0.604 20 0 IBADRO O=C(NCCS(=O)(=O)N1CCOCC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769086327 1073646633 /nfs/dbraw/zinc/64/66/33/1073646633.db2.gz LDKCKMHXRLWXNY-MOPGFXCFSA-N 1 0 440.566 -0.169 20 0 IBADRO O=C(NCCS(=O)(=O)N1CCOCC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769086331 1073646649 /nfs/dbraw/zinc/64/66/49/1073646649.db2.gz LDKCKMHXRLWXNY-OALUTQOASA-N 1 0 440.566 -0.169 20 0 IBADRO O=C(NCCS(=O)(=O)N1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769086333 1073646740 /nfs/dbraw/zinc/64/67/40/1073646740.db2.gz LDKCKMHXRLWXNY-RBUKOAKNSA-N 1 0 440.566 -0.169 20 0 IBADRO O=C(NCCS(=O)(=O)N1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769086335 1073646608 /nfs/dbraw/zinc/64/66/08/1073646608.db2.gz LDKCKMHXRLWXNY-RTBURBONSA-N 1 0 440.566 -0.169 20 0 IBADRO C[NH+]1CCN(C[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc2)CC1 ZINC000769612151 1073650921 /nfs/dbraw/zinc/65/09/21/1073650921.db2.gz VIPPBAVAZHVACT-GOSISDBHSA-N 1 0 445.611 -0.613 20 0 IBADRO 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20 0 IBADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)cc2F)CC1 ZINC000781540168 1072969339 /nfs/dbraw/zinc/96/93/39/1072969339.db2.gz FQRAAENMIQCVQQ-UHFFFAOYSA-N 1 0 434.516 -0.157 20 0 IBADRO Cn1nc(Br)c2c1ncn(CC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c2=O ZINC000781677170 1072970780 /nfs/dbraw/zinc/97/07/80/1072970780.db2.gz NXVBPXXZQQPHIW-UHFFFAOYSA-N 1 0 427.303 -0.192 20 0 IBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000781801119 1072973754 /nfs/dbraw/zinc/97/37/54/1072973754.db2.gz NJCLJYJPJFJRTQ-GOSISDBHSA-N 1 0 426.539 -0.286 20 0 IBADRO O=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000781801120 1072973783 /nfs/dbraw/zinc/97/37/83/1072973783.db2.gz NJCLJYJPJFJRTQ-SFHVURJKSA-N 1 0 426.539 -0.286 20 0 IBADRO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000781910199 1072974266 /nfs/dbraw/zinc/97/42/66/1072974266.db2.gz DERZQYOXUFADDF-HNNXBMFYSA-N 1 0 425.555 -0.059 20 0 IBADRO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000781910221 1072974208 /nfs/dbraw/zinc/97/42/08/1072974208.db2.gz DERZQYOXUFADDF-OAHLLOKOSA-N 1 0 425.555 -0.059 20 0 IBADRO COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CC[N@H+](CCO)C(C)(C)C3)C2=O)cc1 ZINC000781960392 1072975248 /nfs/dbraw/zinc/97/52/48/1072975248.db2.gz HNJKVSAQNWSZSE-NRFANRHFSA-N 1 0 433.509 -0.118 20 0 IBADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CC[N@H+](CCO)C(C)(C)C3)C2=O)cc1 ZINC000781960393 1072975364 /nfs/dbraw/zinc/97/53/64/1072975364.db2.gz HNJKVSAQNWSZSE-OAQYLSRUSA-N 1 0 433.509 -0.118 20 0 IBADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CC[N@H+](CCO)C(C)(C)C3)C2=O)c1 ZINC000781963994 1072975935 /nfs/dbraw/zinc/97/59/35/1072975935.db2.gz VZUFUIBYAXCHFC-NRFANRHFSA-N 1 0 433.509 -0.118 20 0 IBADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CC[N@H+](CCO)C(C)(C)C3)C2=O)c1 ZINC000781963998 1072975907 /nfs/dbraw/zinc/97/59/07/1072975907.db2.gz VZUFUIBYAXCHFC-OAQYLSRUSA-N 1 0 433.509 -0.118 20 0 IBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)CC1 ZINC000781995442 1072976373 /nfs/dbraw/zinc/97/63/73/1072976373.db2.gz VGJWXIQVXYXJSA-UHFFFAOYSA-N 1 0 441.510 -0.301 20 0 IBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)CC2)c1 ZINC000782605493 1072982051 /nfs/dbraw/zinc/98/20/51/1072982051.db2.gz FLLCNQRUNQVCED-MGPUTAFESA-N 1 0 439.534 -0.149 20 0 IBADRO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)CC2)c1 ZINC000782605494 1072981917 /nfs/dbraw/zinc/98/19/17/1072981917.db2.gz FLLCNQRUNQVCED-QRWLVFNGSA-N 1 0 439.534 -0.149 20 0 IBADRO O=C(C[N@H+]1C[C@@H]2C[C@]2(CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000782619224 1072982017 /nfs/dbraw/zinc/98/20/17/1072982017.db2.gz RYOXIFJTRPDUGK-MGPUTAFESA-N 1 0 437.518 -0.395 20 0 IBADRO O=C(C[N@H+]1C[C@H]2C[C@@]2(CO)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000782619227 1072981979 /nfs/dbraw/zinc/98/19/79/1072981979.db2.gz RYOXIFJTRPDUGK-QRWLVFNGSA-N 1 0 437.518 -0.395 20 0 IBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)CC2)cc1OC ZINC000782620033 1072981860 /nfs/dbraw/zinc/98/18/60/1072981860.db2.gz HILMDOMYQKPQLJ-MGPUTAFESA-N 1 0 439.534 -0.149 20 0 IBADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)CC2)cc1OC ZINC000782620034 1072982415 /nfs/dbraw/zinc/98/24/15/1072982415.db2.gz HILMDOMYQKPQLJ-QRWLVFNGSA-N 1 0 439.534 -0.149 20 0 IBADRO COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCCN3CCCOCC3)cc2)CC1 ZINC000782767151 1072983944 /nfs/dbraw/zinc/98/39/44/1072983944.db2.gz DJVKOHUUKZDLCR-UHFFFAOYSA-N 1 0 447.536 -0.241 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000782936789 1072985628 /nfs/dbraw/zinc/98/56/28/1072985628.db2.gz BFGITBLYZZXCIX-GOSISDBHSA-N 1 0 438.550 -0.225 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000782936793 1072985600 /nfs/dbraw/zinc/98/56/00/1072985600.db2.gz BFGITBLYZZXCIX-SFHVURJKSA-N 1 0 438.550 -0.225 20 0 IBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000782937930 1071322180 /nfs/dbraw/zinc/32/21/80/1071322180.db2.gz HRKHIGGBQRHVIA-GOSISDBHSA-N 1 0 438.550 -0.225 20 0 IBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000782937931 1071322062 /nfs/dbraw/zinc/32/20/62/1071322062.db2.gz HRKHIGGBQRHVIA-SFHVURJKSA-N 1 0 438.550 -0.225 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cc2)CC1 ZINC000783469343 1072989763 /nfs/dbraw/zinc/98/97/63/1072989763.db2.gz JZGCOKDPOZFUGZ-UHFFFAOYSA-N 1 0 433.553 -0.080 20 0 IBADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cc2)CC1 ZINC000783471213 1072989665 /nfs/dbraw/zinc/98/96/65/1072989665.db2.gz ZFVDEVDWYZXHQM-UHFFFAOYSA-N 1 0 433.553 -0.080 20 0 IBADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000783978530 1072993043 /nfs/dbraw/zinc/99/30/43/1072993043.db2.gz AVQJTIVEPDWSEQ-UHFFFAOYSA-N 1 0 445.563 -0.002 20 0 IBADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCC3(COC(=O)N3)CC2)CC1 ZINC000784460122 1072995600 /nfs/dbraw/zinc/99/56/00/1072995600.db2.gz RVQLHLLKNRIQCB-UHFFFAOYSA-N 1 0 441.510 -0.301 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)cn1 ZINC000784788547 1072998795 /nfs/dbraw/zinc/99/87/95/1072998795.db2.gz KJQJYMUJSKOQCI-UHFFFAOYSA-N 1 0 436.513 -0.499 20 0 IBADRO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000784795881 1072998716 /nfs/dbraw/zinc/99/87/16/1072998716.db2.gz YEJGSXMLLJWSOL-UHFFFAOYSA-N 1 0 441.554 -0.097 20 0 IBADRO C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)C2)CC1 ZINC000784804912 1072999457 /nfs/dbraw/zinc/99/94/57/1072999457.db2.gz WLAOQMVVIRRDQU-KRWDZBQOSA-N 1 0 428.537 -0.154 20 0 IBADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)C2)CC1 ZINC000784804914 1072999275 /nfs/dbraw/zinc/99/92/75/1072999275.db2.gz WLAOQMVVIRRDQU-QGZVFWFLSA-N 1 0 428.537 -0.154 20 0 IBADRO O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000784822360 1072999921 /nfs/dbraw/zinc/99/99/21/1072999921.db2.gz LROHJKKWYPVGFN-IBGZPJMESA-N 1 0 431.537 -0.016 20 0 IBADRO O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000784822361 1072999893 /nfs/dbraw/zinc/99/98/93/1072999893.db2.gz LROHJKKWYPVGFN-LJQANCHMSA-N 1 0 431.537 -0.016 20 0 IBADRO CON(C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000784824123 1073000036 /nfs/dbraw/zinc/00/00/36/1073000036.db2.gz URHZXYHJSZOZLS-GOSISDBHSA-N 1 0 433.509 -0.219 20 0 IBADRO CON(C)C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000784824126 1072999947 /nfs/dbraw/zinc/99/99/47/1072999947.db2.gz URHZXYHJSZOZLS-SFHVURJKSA-N 1 0 433.509 -0.219 20 0 IBADRO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000784825081 1072999986 /nfs/dbraw/zinc/99/99/86/1072999986.db2.gz XDWKHQSNXLXTNI-HNNXBMFYSA-N 1 0 434.493 -0.057 20 0 IBADRO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000784825084 1072999830 /nfs/dbraw/zinc/99/98/30/1072999830.db2.gz XDWKHQSNXLXTNI-OAHLLOKOSA-N 1 0 434.493 -0.057 20 0 IBADRO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000784968152 1070883058 /nfs/dbraw/zinc/88/30/58/1070883058.db2.gz BBDBATPNAKWXRU-FQEVSTJZSA-N 1 0 433.553 -0.082 20 0 IBADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000784968174 1070883566 /nfs/dbraw/zinc/88/35/66/1070883566.db2.gz BBDBATPNAKWXRU-HXUWFJFHSA-N 1 0 433.553 -0.082 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000784968204 1070883383 /nfs/dbraw/zinc/88/33/83/1070883383.db2.gz BZHPLGTXXZUSMH-FQEVSTJZSA-N 1 0 433.553 -0.082 20 0 IBADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000784968205 1070883210 /nfs/dbraw/zinc/88/32/10/1070883210.db2.gz BZHPLGTXXZUSMH-HXUWFJFHSA-N 1 0 433.553 -0.082 20 0 IBADRO CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000785111208 1071062961 /nfs/dbraw/zinc/06/29/61/1071062961.db2.gz YQBNXPVWPPLCEU-UHFFFAOYSA-N 1 0 426.495 -0.012 20 0 IBADRO CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)NCC[NH+](C)C ZINC000785162238 1071148738 /nfs/dbraw/zinc/14/87/38/1071148738.db2.gz VJKQJBAAMBKZKK-SFHVURJKSA-N 1 0 446.552 -0.230 20 0 IBADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000785184812 1071252801 /nfs/dbraw/zinc/25/28/01/1071252801.db2.gz BMFWHSQRMUIKOV-UHFFFAOYSA-N 1 0 445.563 -0.004 20 0 IBADRO CN(c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1)C1CC[NH+](C)CC1 ZINC000785209540 1071258925 /nfs/dbraw/zinc/25/89/25/1071258925.db2.gz CHSSFNJZGCCCAM-GOSISDBHSA-N 1 0 442.520 -0.675 20 0 IBADRO CN(c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1)C1CC[NH+](C)CC1 ZINC000785209548 1071259079 /nfs/dbraw/zinc/25/90/79/1071259079.db2.gz CHSSFNJZGCCCAM-SFHVURJKSA-N 1 0 442.520 -0.675 20 0 IBADRO 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COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807782436 1073925774 /nfs/dbraw/zinc/92/57/74/1073925774.db2.gz WPDLAJXHTWYUKJ-UHFFFAOYSA-N 1 0 432.465 -0.547 20 0 IBADRO COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000807828127 1073931232 /nfs/dbraw/zinc/93/12/32/1073931232.db2.gz JPBVDLDMEGPRTF-DOTOQJQBSA-N 1 0 437.541 -0.266 20 0 IBADRO COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000807828128 1073931041 /nfs/dbraw/zinc/93/10/41/1073931041.db2.gz JPBVDLDMEGPRTF-NVXWUHKLSA-N 1 0 437.541 -0.266 20 0 IBADRO COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000807828129 1073931114 /nfs/dbraw/zinc/93/11/14/1073931114.db2.gz JPBVDLDMEGPRTF-RDJZCZTQSA-N 1 0 437.541 -0.266 20 0 IBADRO COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000807828131 1073931737 /nfs/dbraw/zinc/93/17/37/1073931737.db2.gz JPBVDLDMEGPRTF-WBVHZDCISA-N 1 0 437.541 -0.266 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000807832816 1073931784 /nfs/dbraw/zinc/93/17/84/1073931784.db2.gz CALPVZWVOIFSEJ-INIZCTEOSA-N 1 0 439.557 -0.018 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000807832817 1073932269 /nfs/dbraw/zinc/93/22/69/1073932269.db2.gz CALPVZWVOIFSEJ-MRXNPFEDSA-N 1 0 439.557 -0.018 20 0 IBADRO COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000807835633 1073932259 /nfs/dbraw/zinc/93/22/59/1073932259.db2.gz YRXDVJFGQQSETB-INIZCTEOSA-N 1 0 437.541 -0.264 20 0 IBADRO COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000807835634 1073932282 /nfs/dbraw/zinc/93/22/82/1073932282.db2.gz YRXDVJFGQQSETB-MRXNPFEDSA-N 1 0 437.541 -0.264 20 0 IBADRO COC(=O)[C@]12CN(C(=O)C(=O)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)C[C@H]1COCC2 ZINC000807920474 1073933284 /nfs/dbraw/zinc/93/32/84/1073933284.db2.gz UTQZBHMAZCIZAK-SFYKDHMMSA-N 1 0 445.516 -0.093 20 0 IBADRO COC(=O)[C@]12CN(C(=O)C(=O)NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)C[C@H]1COCC2 ZINC000807920475 1073933213 /nfs/dbraw/zinc/93/32/13/1073933213.db2.gz UTQZBHMAZCIZAK-YCRNBWNJSA-N 1 0 445.516 -0.093 20 0 IBADRO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000808025771 1073936242 /nfs/dbraw/zinc/93/62/42/1073936242.db2.gz DYIREFNGBBGBAI-IKGGRYGDSA-N 1 0 437.541 -0.266 20 0 IBADRO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000808025772 1073936337 /nfs/dbraw/zinc/93/63/37/1073936337.db2.gz DYIREFNGBBGBAI-IXDOHACOSA-N 1 0 437.541 -0.266 20 0 IBADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000808025773 1073936406 /nfs/dbraw/zinc/93/64/06/1073936406.db2.gz DYIREFNGBBGBAI-ULQDDVLXSA-N 1 0 437.541 -0.266 20 0 IBADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000808025774 1073936183 /nfs/dbraw/zinc/93/61/83/1073936183.db2.gz DYIREFNGBBGBAI-YESZJQIVSA-N 1 0 437.541 -0.266 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000808032878 1073937424 /nfs/dbraw/zinc/93/74/24/1073937424.db2.gz AQQJHKDZNSLCQW-DLBZAZTESA-N 1 0 439.557 -0.018 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000808032879 1073937500 /nfs/dbraw/zinc/93/75/00/1073937500.db2.gz AQQJHKDZNSLCQW-IAGOWNOFSA-N 1 0 439.557 -0.018 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000808032880 1073937464 /nfs/dbraw/zinc/93/74/64/1073937464.db2.gz AQQJHKDZNSLCQW-IRXDYDNUSA-N 1 0 439.557 -0.018 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000808032881 1073937348 /nfs/dbraw/zinc/93/73/48/1073937348.db2.gz AQQJHKDZNSLCQW-SJORKVTESA-N 1 0 439.557 -0.018 20 0 IBADRO COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000808035287 1073934553 /nfs/dbraw/zinc/93/45/53/1073934553.db2.gz TZSRQRKSVGRLML-DLBZAZTESA-N 1 0 437.541 -0.264 20 0 IBADRO COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000808035288 1073934471 /nfs/dbraw/zinc/93/44/71/1073934471.db2.gz TZSRQRKSVGRLML-IAGOWNOFSA-N 1 0 437.541 -0.264 20 0 IBADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000808035289 1073934576 /nfs/dbraw/zinc/93/45/76/1073934576.db2.gz TZSRQRKSVGRLML-IRXDYDNUSA-N 1 0 437.541 -0.264 20 0 IBADRO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000808035290 1073934523 /nfs/dbraw/zinc/93/45/23/1073934523.db2.gz TZSRQRKSVGRLML-SJORKVTESA-N 1 0 437.541 -0.264 20 0 IBADRO C[NH+](C)CCCOc1cnccc1CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000808255763 1073941708 /nfs/dbraw/zinc/94/17/08/1073941708.db2.gz ALTNANOJNRUNPT-UHFFFAOYSA-N 1 0 429.543 -0.127 20 0 IBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1=O ZINC000808268826 1073943102 /nfs/dbraw/zinc/94/31/02/1073943102.db2.gz APNHKTDPCBQVCR-INIZCTEOSA-N 1 0 442.538 -0.223 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1=O ZINC000808268827 1073943073 /nfs/dbraw/zinc/94/30/73/1073943073.db2.gz APNHKTDPCBQVCR-MRXNPFEDSA-N 1 0 442.538 -0.223 20 0 IBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1=O ZINC000808269025 1073942359 /nfs/dbraw/zinc/94/23/59/1073942359.db2.gz DVHXVSWXGMGCQO-CVEARBPZSA-N 1 0 430.509 -0.380 20 0 IBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1=O ZINC000808269026 1073942232 /nfs/dbraw/zinc/94/22/32/1073942232.db2.gz DVHXVSWXGMGCQO-HOTGVXAUSA-N 1 0 430.509 -0.380 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1=O ZINC000808269027 1073942348 /nfs/dbraw/zinc/94/23/48/1073942348.db2.gz DVHXVSWXGMGCQO-HZPDHXFCSA-N 1 0 430.509 -0.380 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1=O ZINC000808269028 1073942285 /nfs/dbraw/zinc/94/22/85/1073942285.db2.gz DVHXVSWXGMGCQO-JKSUJKDBSA-N 1 0 430.509 -0.380 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270392 1073943689 /nfs/dbraw/zinc/94/36/89/1073943689.db2.gz WEHWVECRXIGYQA-BVGQSLNGSA-N 1 0 436.534 -0.014 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270396 1073943251 /nfs/dbraw/zinc/94/32/51/1073943251.db2.gz WEHWVECRXIGYQA-FSPWUOQZSA-N 1 0 436.534 -0.014 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270398 1073942803 /nfs/dbraw/zinc/94/28/03/1073942803.db2.gz WEHWVECRXIGYQA-JEBQAFNWSA-N 1 0 436.534 -0.014 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270400 1073943709 /nfs/dbraw/zinc/94/37/09/1073943709.db2.gz WEHWVECRXIGYQA-XWIAVFTESA-N 1 0 436.534 -0.014 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270495 1073943666 /nfs/dbraw/zinc/94/36/66/1073943666.db2.gz XRNDAGFOTNEEPT-CRAIPNDOSA-N 1 0 430.509 -0.598 20 0 IBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270497 1073943591 /nfs/dbraw/zinc/94/35/91/1073943591.db2.gz XRNDAGFOTNEEPT-MAUKXSAKSA-N 1 0 430.509 -0.598 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270498 1073943726 /nfs/dbraw/zinc/94/37/26/1073943726.db2.gz XRNDAGFOTNEEPT-QAPCUYQASA-N 1 0 430.509 -0.598 20 0 IBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270501 1073943748 /nfs/dbraw/zinc/94/37/48/1073943748.db2.gz XRNDAGFOTNEEPT-YJBOKZPZSA-N 1 0 430.509 -0.598 20 0 IBADRO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)ccc1F ZINC000808270701 1073943006 /nfs/dbraw/zinc/94/30/06/1073943006.db2.gz YRSXQMQJVIJJIJ-AWEZNQCLSA-N 1 0 430.502 -0.357 20 0 IBADRO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)ccc1F ZINC000808270703 1073942740 /nfs/dbraw/zinc/94/27/40/1073942740.db2.gz YRSXQMQJVIJJIJ-CQSZACIVSA-N 1 0 430.502 -0.357 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270863 1073943175 /nfs/dbraw/zinc/94/31/75/1073943175.db2.gz LTLGUKRCLKBDFS-CRAIPNDOSA-N 1 0 448.499 -0.459 20 0 IBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270864 1073942767 /nfs/dbraw/zinc/94/27/67/1073942767.db2.gz LTLGUKRCLKBDFS-MAUKXSAKSA-N 1 0 448.499 -0.459 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270865 1073943045 /nfs/dbraw/zinc/94/30/45/1073943045.db2.gz LTLGUKRCLKBDFS-QAPCUYQASA-N 1 0 448.499 -0.459 20 0 IBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270866 1073942908 /nfs/dbraw/zinc/94/29/08/1073942908.db2.gz LTLGUKRCLKBDFS-YJBOKZPZSA-N 1 0 448.499 -0.459 20 0 IBADRO COC(=O)[C@]12CN(C(=O)C(=O)NCc3ccnc(OCC[NH+](C)C)c3)C[C@H]1COCC2 ZINC000808336682 1073944694 /nfs/dbraw/zinc/94/46/94/1073944694.db2.gz ZETFQYPKWQRXHO-HRAATJIYSA-N 1 0 434.493 -0.324 20 0 IBADRO 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IBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC001116285681 1073036114 /nfs/dbraw/zinc/03/61/14/1073036114.db2.gz FXQLDCQBRORHFL-INIZCTEOSA-N 1 0 427.527 -0.506 20 0 IBADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC001116285682 1073036209 /nfs/dbraw/zinc/03/62/09/1073036209.db2.gz FXQLDCQBRORHFL-MRXNPFEDSA-N 1 0 427.527 -0.506 20 0 IBADRO O=C(C[NH2+]C1(CO)CCOCC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001116325575 1073037008 /nfs/dbraw/zinc/03/70/08/1073037008.db2.gz HMNXRQCUAVBEAM-UHFFFAOYSA-N 1 0 427.523 -0.545 20 0 IBADRO NC(=O)COC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC001116328473 1073037396 /nfs/dbraw/zinc/03/73/96/1073037396.db2.gz UEDNZPSQTCFGCU-UHFFFAOYSA-N 1 0 442.513 -0.375 20 0 IBADRO NC(=O)COC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC001116333815 1073037340 /nfs/dbraw/zinc/03/73/40/1073037340.db2.gz WKMGXPLKPASSNU-UHFFFAOYSA-N 1 0 438.550 -0.373 20 0 IBADRO CC(C)[NH+]1CCC(N2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001116347959 1073038618 /nfs/dbraw/zinc/03/86/18/1073038618.db2.gz GNNIJHMRMUTDGC-INIZCTEOSA-N 1 0 429.587 -0.510 20 0 IBADRO CC(C)[NH+]1CCC(N2CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001116347960 1073038575 /nfs/dbraw/zinc/03/85/75/1073038575.db2.gz GNNIJHMRMUTDGC-MRXNPFEDSA-N 1 0 429.587 -0.510 20 0 IBADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001116349361 1073038901 /nfs/dbraw/zinc/03/89/01/1073038901.db2.gz DHRGTHBQTOFNON-UHFFFAOYSA-N 1 0 426.529 -0.040 20 0 IBADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC001116389901 1073039776 /nfs/dbraw/zinc/03/97/76/1073039776.db2.gz QJMXIKALRJXUFZ-UHFFFAOYSA-N 1 0 428.555 -0.035 20 0 IBADRO CC(C)N1CC[NH+](C2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC001116396893 1073039857 /nfs/dbraw/zinc/03/98/57/1073039857.db2.gz TWMASVPFLIGJMY-UHFFFAOYSA-N 1 0 445.568 -0.159 20 0 IBADRO O=C(CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001116415743 1073040312 /nfs/dbraw/zinc/04/03/12/1073040312.db2.gz JGZFYUARMNMVDX-GOSISDBHSA-N 1 0 428.599 -0.006 20 0 IBADRO O=C(CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001116415744 1073040189 /nfs/dbraw/zinc/04/01/89/1073040189.db2.gz JGZFYUARMNMVDX-SFHVURJKSA-N 1 0 428.599 -0.006 20 0 IBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC001116420555 1073040361 /nfs/dbraw/zinc/04/03/61/1073040361.db2.gz ZLEHMYSVEWSMCP-UHFFFAOYSA-N 1 0 425.551 -0.089 20 0 IBADRO COc1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc(OC)c1OCC(N)=O ZINC001116456731 1073041115 /nfs/dbraw/zinc/04/11/15/1073041115.db2.gz SFMMGWSTHSWTFC-UHFFFAOYSA-N 1 0 437.493 -0.133 20 0 IBADRO CS(=O)(=O)N(c1ccc(OCC[NH2+]C2CCN(C(N)=O)CC2)cc1)S(C)(=O)=O ZINC001116473354 1073041530 /nfs/dbraw/zinc/04/15/30/1073041530.db2.gz NNEBRNUGENNPLH-UHFFFAOYSA-N 1 0 434.540 -0.076 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001116476835 1073041552 /nfs/dbraw/zinc/04/15/52/1073041552.db2.gz WIPQHAABYCZOCY-FCEWJHQRSA-N 1 0 428.555 -0.329 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001116476936 1073041887 /nfs/dbraw/zinc/04/18/87/1073041887.db2.gz WIPQHAABYCZOCY-FRQCXROJSA-N 1 0 428.555 -0.329 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001116476937 1073041771 /nfs/dbraw/zinc/04/17/71/1073041771.db2.gz WIPQHAABYCZOCY-GPMSIDNRSA-N 1 0 428.555 -0.329 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001116476938 1073041795 /nfs/dbraw/zinc/04/17/95/1073041795.db2.gz WIPQHAABYCZOCY-MDZRGWNJSA-N 1 0 428.555 -0.329 20 0 IBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001116508080 1073042944 /nfs/dbraw/zinc/04/29/44/1073042944.db2.gz ZGSDMGUWJHDFKL-UHFFFAOYSA-N 1 0 441.602 -0.148 20 0 IBADRO O=C(Cc1ccc(S(=O)(=O)CCO)cc1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001116547035 1073043316 /nfs/dbraw/zinc/04/33/16/1073043316.db2.gz LUGGTJFBBNRPSK-UHFFFAOYSA-N 1 0 426.535 -0.319 20 0 IBADRO O=C(CCC(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCN(c2ncccn2)CC1 ZINC001116547717 1073043521 /nfs/dbraw/zinc/04/35/21/1073043521.db2.gz UULBWMWBNJRARA-UHFFFAOYSA-N 1 0 446.552 -0.409 20 0 IBADRO NC(=O)C[C@H]([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC001116558088 1073043356 /nfs/dbraw/zinc/04/33/56/1073043356.db2.gz LCVRIOGIVZQLAX-BBWFWOEESA-N 1 0 431.555 -0.559 20 0 IBADRO NC(=O)C[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC001116558100 1073043474 /nfs/dbraw/zinc/04/34/74/1073043474.db2.gz LCVRIOGIVZQLAX-IKGGRYGDSA-N 1 0 431.555 -0.559 20 0 IBADRO NC(=O)C[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC001116558102 1073043613 /nfs/dbraw/zinc/04/36/13/1073043613.db2.gz LCVRIOGIVZQLAX-ULQDDVLXSA-N 1 0 431.555 -0.559 20 0 IBADRO NC(=O)C[C@H]([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 ZINC001116558104 1073043499 /nfs/dbraw/zinc/04/34/99/1073043499.db2.gz LCVRIOGIVZQLAX-ZACQAIPSSA-N 1 0 431.555 -0.559 20 0 IBADRO COC(=O)CC1([NH2+]CCC(=O)N2CCN(c3ncccn3)CC2)CCS(=O)(=O)CC1 ZINC001116709789 1073046538 /nfs/dbraw/zinc/04/65/38/1073046538.db2.gz SCLVCPKDACZQAN-UHFFFAOYSA-N 1 0 439.538 -0.385 20 0 IBADRO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1CC[NH+](C3CCN(C)CC3)CC1)C2 ZINC001116737730 1073046607 /nfs/dbraw/zinc/04/66/07/1073046607.db2.gz DVZDSOYBWVPSCS-UHFFFAOYSA-N 1 0 448.572 -0.783 20 0 IBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001116759485 1073047561 /nfs/dbraw/zinc/04/75/61/1073047561.db2.gz BBLDRHBOGHQUKB-AWEZNQCLSA-N 1 0 435.572 -0.967 20 0 IBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001116759486 1073047512 /nfs/dbraw/zinc/04/75/12/1073047512.db2.gz BBLDRHBOGHQUKB-CQSZACIVSA-N 1 0 435.572 -0.967 20 0 IBADRO CN1CC[NH+](CC2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)CC1 ZINC001116776701 1073047997 /nfs/dbraw/zinc/04/79/97/1073047997.db2.gz WZELLGQGNHNNDL-UHFFFAOYSA-N 1 0 428.559 -0.237 20 0 IBADRO C[NH+]1CCN(C2CN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)C2)CC1 ZINC001116854472 1073049656 /nfs/dbraw/zinc/04/96/56/1073049656.db2.gz GZGUDPVDOCZAHF-UHFFFAOYSA-N 1 0 426.514 -0.082 20 0 IBADRO NS(=O)(=O)c1cnn(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC001116897054 1073050502 /nfs/dbraw/zinc/05/05/02/1073050502.db2.gz YAJHMTYRFVKOOX-UHFFFAOYSA-N 1 0 426.543 -0.629 20 0 IBADRO C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCN(CCS(N)(=O)=O)CC3)c2)CC1 ZINC001116914004 1073051167 /nfs/dbraw/zinc/05/11/67/1073051167.db2.gz KWMMHGVGMIDIAF-UHFFFAOYSA-N 1 0 438.598 -0.450 20 0 IBADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001117263347 1073054372 /nfs/dbraw/zinc/05/43/72/1073054372.db2.gz NWRLPBZGXBZQKN-AEFFLSMTSA-N 1 0 445.582 -0.392 20 0 IBADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001117263350 1073054682 /nfs/dbraw/zinc/05/46/82/1073054682.db2.gz NWRLPBZGXBZQKN-FUHWJXTLSA-N 1 0 445.582 -0.392 20 0 IBADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001117263353 1073054809 /nfs/dbraw/zinc/05/48/09/1073054809.db2.gz NWRLPBZGXBZQKN-SJLPKXTDSA-N 1 0 445.582 -0.392 20 0 IBADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001117263355 1073054771 /nfs/dbraw/zinc/05/47/71/1073054771.db2.gz NWRLPBZGXBZQKN-WMZOPIPTSA-N 1 0 445.582 -0.392 20 0 IBADRO Cn1nc(C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)c2ccc(=O)n(C)n2)ccc1=O ZINC001117460049 1073055134 /nfs/dbraw/zinc/05/51/34/1073055134.db2.gz MNGXUXIFBQTXRU-UHFFFAOYSA-N 1 0 443.508 -0.768 20 0 IBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC001117661437 1073055961 /nfs/dbraw/zinc/05/59/61/1073055961.db2.gz LVGZBIYMCWOQDN-KRWDZBQOSA-N 1 0 431.603 -0.261 20 0 IBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC001117661440 1073056050 /nfs/dbraw/zinc/05/60/50/1073056050.db2.gz LVGZBIYMCWOQDN-QGZVFWFLSA-N 1 0 431.603 -0.261 20 0 IBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001117696699 1073056569 /nfs/dbraw/zinc/05/65/69/1073056569.db2.gz OFKPRHWEEJAPRS-CVEARBPZSA-N 1 0 429.587 -0.510 20 0 IBADRO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001117696700 1073056425 /nfs/dbraw/zinc/05/64/25/1073056425.db2.gz OFKPRHWEEJAPRS-HOTGVXAUSA-N 1 0 429.587 -0.510 20 0 IBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001117696701 1073056501 /nfs/dbraw/zinc/05/65/01/1073056501.db2.gz OFKPRHWEEJAPRS-HZPDHXFCSA-N 1 0 429.587 -0.510 20 0 IBADRO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001117696702 1073056364 /nfs/dbraw/zinc/05/63/64/1073056364.db2.gz OFKPRHWEEJAPRS-JKSUJKDBSA-N 1 0 429.587 -0.510 20 0 IBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC001117760340 1073058014 /nfs/dbraw/zinc/05/80/14/1073058014.db2.gz VUATUYKFYICSGI-UHFFFAOYSA-N 1 0 433.513 -0.256 20 0 IBADRO CN1CC[NH+](CC2CN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC001117775702 1073057977 /nfs/dbraw/zinc/05/79/77/1073057977.db2.gz XEHAUAVEVBQQEW-INIZCTEOSA-N 1 0 435.550 -0.607 20 0 IBADRO CN1CC[NH+](CC2CN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC001117775703 1073057887 /nfs/dbraw/zinc/05/78/87/1073057887.db2.gz XEHAUAVEVBQQEW-MRXNPFEDSA-N 1 0 435.550 -0.607 20 0 IBADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)[C@H](c2cnn(C)c2)C1 ZINC001118442507 1073058530 /nfs/dbraw/zinc/05/85/30/1073058530.db2.gz BLDCYNKGWOSBNH-MSOLQXFVSA-N 1 0 426.587 -0.333 20 0 IBADRO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001118442508 1073058318 /nfs/dbraw/zinc/05/83/18/1073058318.db2.gz BLDCYNKGWOSBNH-QZTJIDSGSA-N 1 0 426.587 -0.333 20 0 IBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)[C@H](c2cnn(C)c2)C1 ZINC001118442509 1073058897 /nfs/dbraw/zinc/05/88/97/1073058897.db2.gz BLDCYNKGWOSBNH-ROUUACIJSA-N 1 0 426.587 -0.333 20 0 IBADRO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)[C@@H](c2cnn(C)c2)C1 ZINC001118442510 1073058957 /nfs/dbraw/zinc/05/89/57/1073058957.db2.gz BLDCYNKGWOSBNH-ZWKOTPCHSA-N 1 0 426.587 -0.333 20 0 IBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC(N3CC[NH+](C)CC3)C2)c1 ZINC001119567070 1073059955 /nfs/dbraw/zinc/05/99/55/1073059955.db2.gz KLPGBTISGRQUAY-UHFFFAOYSA-N 1 0 425.555 -0.663 20 0 IBADRO Cn1c(C2CC[NH+](C)CC2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001121316025 1073061520 /nfs/dbraw/zinc/06/15/20/1073061520.db2.gz MIKPQFPVRKDNRO-HNNXBMFYSA-N 1 0 446.599 -0.737 20 0 IBADRO Cn1c(C2CC[NH+](C)CC2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001121316026 1073061585 /nfs/dbraw/zinc/06/15/85/1073061585.db2.gz MIKPQFPVRKDNRO-OAHLLOKOSA-N 1 0 446.599 -0.737 20 0 IBADRO 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CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001136659370 1074059147 /nfs/dbraw/zinc/05/91/47/1074059147.db2.gz BLGQYWGNKWDRON-ZDUSSCGKSA-N 1 0 445.973 -0.141 20 0 IBADRO CC[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001136660633 1074060332 /nfs/dbraw/zinc/06/03/32/1074060332.db2.gz XFONXEPXUXIZNS-UHFFFAOYSA-N 1 0 431.946 -0.529 20 0 IBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)CC1=O ZINC001136663786 1074059686 /nfs/dbraw/zinc/05/96/86/1074059686.db2.gz AMMGNAKJAWNGOE-MOPGFXCFSA-N 1 0 434.585 -0.169 20 0 IBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)CC1=O ZINC001136663787 1074060011 /nfs/dbraw/zinc/06/00/11/1074060011.db2.gz AMMGNAKJAWNGOE-OALUTQOASA-N 1 0 434.585 -0.169 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)CC1=O ZINC001136663788 1074059812 /nfs/dbraw/zinc/05/98/12/1074059812.db2.gz AMMGNAKJAWNGOE-RBUKOAKNSA-N 1 0 434.585 -0.169 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)CC1=O ZINC001136663789 1074059782 /nfs/dbraw/zinc/05/97/82/1074059782.db2.gz AMMGNAKJAWNGOE-RTBURBONSA-N 1 0 434.585 -0.169 20 0 IBADRO O=C(N[C@@H](CO)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(F)n1 ZINC001136689589 1074061306 /nfs/dbraw/zinc/06/13/06/1074061306.db2.gz MMBRZEHQVVCJMF-KRWDZBQOSA-N 1 0 445.499 -0.180 20 0 IBADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001136689773 1074061370 /nfs/dbraw/zinc/06/13/70/1074061370.db2.gz SAQMUNIBMMICEP-GFCCVEGCSA-N 1 0 431.946 -0.531 20 0 IBADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001136689774 1074061241 /nfs/dbraw/zinc/06/12/41/1074061241.db2.gz SAQMUNIBMMICEP-LBPRGKRZSA-N 1 0 431.946 -0.531 20 0 IBADRO CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H]1c1nccn1C ZINC001136743007 1074061855 /nfs/dbraw/zinc/06/18/55/1074061855.db2.gz FYLZGMBQSZEQQW-NEWSRXKRSA-N 1 0 434.541 -0.769 20 0 IBADRO CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H]1c1nccn1C ZINC001136743008 1074061730 /nfs/dbraw/zinc/06/17/30/1074061730.db2.gz FYLZGMBQSZEQQW-WDSOQIARSA-N 1 0 434.541 -0.769 20 0 IBADRO COCCn1cc(N2C[C@H](C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cn1 ZINC001136743505 1074061880 /nfs/dbraw/zinc/06/18/80/1074061880.db2.gz SQQWMYIJUUTBIX-MSOLQXFVSA-N 1 0 434.541 -0.595 20 0 IBADRO COCCn1cc(N2C[C@H](C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cn1 ZINC001136743506 1074061826 /nfs/dbraw/zinc/06/18/26/1074061826.db2.gz SQQWMYIJUUTBIX-QZTJIDSGSA-N 1 0 434.541 -0.595 20 0 IBADRO COCCn1cc(N2C[C@@H](C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cn1 ZINC001136743507 1074061927 /nfs/dbraw/zinc/06/19/27/1074061927.db2.gz SQQWMYIJUUTBIX-ROUUACIJSA-N 1 0 434.541 -0.595 20 0 IBADRO COCCn1cc(N2C[C@@H](C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2=O)cn1 ZINC001136743508 1074061801 /nfs/dbraw/zinc/06/18/01/1074061801.db2.gz SQQWMYIJUUTBIX-ZWKOTPCHSA-N 1 0 434.541 -0.595 20 0 IBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)C1 ZINC001136782900 1074062211 /nfs/dbraw/zinc/06/22/11/1074062211.db2.gz JTCKBOGVXOTNQH-MOPGFXCFSA-N 1 0 433.528 -0.033 20 0 IBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)C1 ZINC001136782901 1074062168 /nfs/dbraw/zinc/06/21/68/1074062168.db2.gz JTCKBOGVXOTNQH-OALUTQOASA-N 1 0 433.528 -0.033 20 0 IBADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)C1 ZINC001136782902 1074062354 /nfs/dbraw/zinc/06/23/54/1074062354.db2.gz JTCKBOGVXOTNQH-RBUKOAKNSA-N 1 0 433.528 -0.033 20 0 IBADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)C1 ZINC001136782903 1074062254 /nfs/dbraw/zinc/06/22/54/1074062254.db2.gz JTCKBOGVXOTNQH-RTBURBONSA-N 1 0 433.528 -0.033 20 0 IBADRO CN(CCCN1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001136817474 1074062799 /nfs/dbraw/zinc/06/27/99/1074062799.db2.gz QQPICXDHYKAEBE-UHFFFAOYSA-N 1 0 446.595 -0.536 20 0 IBADRO C[NH+](C)CCc1cccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001136948868 1074064414 /nfs/dbraw/zinc/06/44/14/1074064414.db2.gz IRSFDWNWRGSOBU-IBGZPJMESA-N 1 0 436.578 -0.148 20 0 IBADRO C[NH+](C)CCc1cccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001136948871 1074064389 /nfs/dbraw/zinc/06/43/89/1074064389.db2.gz IRSFDWNWRGSOBU-LJQANCHMSA-N 1 0 436.578 -0.148 20 0 IBADRO O=C(CN1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001136949393 1074064840 /nfs/dbraw/zinc/06/48/40/1074064840.db2.gz SWIBMLFKAITLSU-KRWDZBQOSA-N 1 0 426.583 -0.302 20 0 IBADRO O=C(CN1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001136949394 1074064941 /nfs/dbraw/zinc/06/49/41/1074064941.db2.gz SWIBMLFKAITLSU-QGZVFWFLSA-N 1 0 426.583 -0.302 20 0 IBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001137047192 1074068080 /nfs/dbraw/zinc/06/80/80/1074068080.db2.gz ITJMWKHJJCXXTP-UHFFFAOYSA-N 1 0 429.518 -0.199 20 0 IBADRO CC(C)[NH+]1CCC(O)(CNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001137505164 1072808260 /nfs/dbraw/zinc/80/82/60/1072808260.db2.gz DNQOECUSCHWIEV-UHFFFAOYSA-N 1 0 447.579 -0.280 20 0 IBADRO C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137552172 1073063944 /nfs/dbraw/zinc/06/39/44/1073063944.db2.gz UTNZPPCTCGULQT-KBPBESRZSA-N 1 0 427.527 -0.859 20 0 IBADRO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137552173 1073064117 /nfs/dbraw/zinc/06/41/17/1073064117.db2.gz UTNZPPCTCGULQT-KGLIPLIRSA-N 1 0 427.527 -0.859 20 0 IBADRO C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137552174 1073064049 /nfs/dbraw/zinc/06/40/49/1073064049.db2.gz UTNZPPCTCGULQT-UONOGXRCSA-N 1 0 427.527 -0.859 20 0 IBADRO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137552175 1073064086 /nfs/dbraw/zinc/06/40/86/1073064086.db2.gz UTNZPPCTCGULQT-ZIAGYGMSSA-N 1 0 427.527 -0.859 20 0 IBADRO CC[NH+](CC)CCN(C(=O)c1cc2n(n1)CCN(C)S2(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001137616271 1073064384 /nfs/dbraw/zinc/06/43/84/1073064384.db2.gz YUEYHQVICWKNDJ-AWEZNQCLSA-N 1 0 447.583 -0.512 20 0 IBADRO CC[NH+](CC)CCN(C(=O)c1cc2n(n1)CCN(C)S2(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001137616272 1073064357 /nfs/dbraw/zinc/06/43/57/1073064357.db2.gz YUEYHQVICWKNDJ-CQSZACIVSA-N 1 0 447.583 -0.512 20 0 IBADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001137644044 1073064535 /nfs/dbraw/zinc/06/45/35/1073064535.db2.gz GGPXBDXLKVSHTR-AWEZNQCLSA-N 1 0 433.552 -0.717 20 0 IBADRO CC[C@H](CO)[NH+]1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001137644045 1073064568 /nfs/dbraw/zinc/06/45/68/1073064568.db2.gz GGPXBDXLKVSHTR-CQSZACIVSA-N 1 0 433.552 -0.717 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001137720644 1073064910 /nfs/dbraw/zinc/06/49/10/1073064910.db2.gz QBFLHQVJDSBNPA-DLBZAZTESA-N 1 0 433.484 -0.436 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001137720645 1073064975 /nfs/dbraw/zinc/06/49/75/1073064975.db2.gz QBFLHQVJDSBNPA-IAGOWNOFSA-N 1 0 433.484 -0.436 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001137720646 1073064830 /nfs/dbraw/zinc/06/48/30/1073064830.db2.gz QBFLHQVJDSBNPA-IRXDYDNUSA-N 1 0 433.484 -0.436 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001137720647 1073065070 /nfs/dbraw/zinc/06/50/70/1073065070.db2.gz QBFLHQVJDSBNPA-SJORKVTESA-N 1 0 433.484 -0.436 20 0 IBADRO CCN1C(=O)CO[C@H](C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)[C@H]1c1ccnn1C ZINC001137769561 1073064891 /nfs/dbraw/zinc/06/48/91/1073064891.db2.gz GCBXYQCMXRBXAF-MOPGFXCFSA-N 1 0 435.525 -0.606 20 0 IBADRO COCCn1cc(N2C[C@@H](C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)CC2=O)cn1 ZINC001137769841 1073064874 /nfs/dbraw/zinc/06/48/74/1073064874.db2.gz OAPJRIAYZVYQOH-KRWDZBQOSA-N 1 0 435.525 -0.432 20 0 IBADRO COCCn1cc(N2C[C@H](C(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)CC2=O)cn1 ZINC001137769842 1073065324 /nfs/dbraw/zinc/06/53/24/1073065324.db2.gz OAPJRIAYZVYQOH-QGZVFWFLSA-N 1 0 435.525 -0.432 20 0 IBADRO NS(=O)(=O)c1ccc(OCCC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC001137769849 1073065421 /nfs/dbraw/zinc/06/54/21/1073065421.db2.gz OIVCFSJQDKISIB-UHFFFAOYSA-N 1 0 427.523 -0.211 20 0 IBADRO C[N@H+](CCCO)C1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001137935225 1073065468 /nfs/dbraw/zinc/06/54/68/1073065468.db2.gz KBOJIUGOIYLXHT-UHFFFAOYSA-N 1 0 447.579 -0.326 20 0 IBADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@H]1[NH+](C)C ZINC001137945080 1073065870 /nfs/dbraw/zinc/06/58/70/1073065870.db2.gz KZFSOTDMILCRNE-CABCVRRESA-N 1 0 435.593 -0.128 20 0 IBADRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@@H]1[NH+](C)C ZINC001137945081 1073065815 /nfs/dbraw/zinc/06/58/15/1073065815.db2.gz KZFSOTDMILCRNE-GJZGRUSLSA-N 1 0 435.593 -0.128 20 0 IBADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@H]1[NH+](C)C ZINC001137945082 1073065733 /nfs/dbraw/zinc/06/57/33/1073065733.db2.gz KZFSOTDMILCRNE-HUUCEWRRSA-N 1 0 435.593 -0.128 20 0 IBADRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@@H]1[NH+](C)C ZINC001137945083 1073065751 /nfs/dbraw/zinc/06/57/51/1073065751.db2.gz KZFSOTDMILCRNE-LSDHHAIUSA-N 1 0 435.593 -0.128 20 0 IBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1=O ZINC001138216301 1073066508 /nfs/dbraw/zinc/06/65/08/1073066508.db2.gz RNXFIVQQPBSKDQ-CVEARBPZSA-N 1 0 438.554 -0.425 20 0 IBADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1=O ZINC001138216302 1073066865 /nfs/dbraw/zinc/06/68/65/1073066865.db2.gz RNXFIVQQPBSKDQ-HOTGVXAUSA-N 1 0 438.554 -0.425 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1=O ZINC001138216303 1073066956 /nfs/dbraw/zinc/06/69/56/1073066956.db2.gz RNXFIVQQPBSKDQ-HZPDHXFCSA-N 1 0 438.554 -0.425 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1=O ZINC001138216304 1073067054 /nfs/dbraw/zinc/06/70/54/1073067054.db2.gz RNXFIVQQPBSKDQ-JKSUJKDBSA-N 1 0 438.554 -0.425 20 0 IBADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001138451330 1073068070 /nfs/dbraw/zinc/06/80/70/1073068070.db2.gz CFAOGLLYPOCSSN-CYBMUJFWSA-N 1 0 445.973 -0.141 20 0 IBADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001138451331 1073067677 /nfs/dbraw/zinc/06/76/77/1073067677.db2.gz CFAOGLLYPOCSSN-ZDUSSCGKSA-N 1 0 445.973 -0.141 20 0 IBADRO Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001138465599 1073067988 /nfs/dbraw/zinc/06/79/88/1073067988.db2.gz QCIBKUGWTRXBSV-IBGZPJMESA-N 1 0 439.538 -0.098 20 0 IBADRO Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001138465600 1073068047 /nfs/dbraw/zinc/06/80/47/1073068047.db2.gz QCIBKUGWTRXBSV-LJQANCHMSA-N 1 0 439.538 -0.098 20 0 IBADRO 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Cn1c2ncn(CC(=O)N3c4ccccc4C(=O)NC34CC[NH2+]CC4)c2c(=O)n(C)c1=O ZINC001142385369 1073086979 /nfs/dbraw/zinc/08/69/79/1073086979.db2.gz GZUXVNMDTYKPBN-UHFFFAOYSA-N 1 0 437.460 -0.710 20 0 IBADRO CC(C)N(C)Cc1nnc2n1CCCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC001142385651 1073087360 /nfs/dbraw/zinc/08/73/60/1073087360.db2.gz UIXOCPMCHPTUMH-UHFFFAOYSA-N 1 0 443.512 -0.702 20 0 IBADRO Cn1c2ncn(CC(=O)N3Cc4cncn4C[C@@H](COCC4CC4)C3)c2c(=O)n(C)c1=O ZINC001142385670 1073087431 /nfs/dbraw/zinc/08/74/31/1073087431.db2.gz UUMZNFJDXKHPAO-HNNXBMFYSA-N 1 0 441.492 -0.285 20 0 IBADRO Cn1c2ncn(CC(=O)N3Cc4cncn4C[C@H](COCC4CC4)C3)c2c(=O)n(C)c1=O ZINC001142385671 1073087337 /nfs/dbraw/zinc/08/73/37/1073087337.db2.gz UUMZNFJDXKHPAO-OAHLLOKOSA-N 1 0 441.492 -0.285 20 0 IBADRO Cn1c2ncn(CC(=O)N([C@@H]3COC4(C3)CC[NH2+]CC4)C(C)(C)C)c2c(=O)n(C)c1=O ZINC001142385763 1073087211 /nfs/dbraw/zinc/08/72/11/1073087211.db2.gz WEPMPOZFMITHEY-AWEZNQCLSA-N 1 0 432.525 -0.028 20 0 IBADRO 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1074073710 /nfs/dbraw/zinc/07/37/10/1074073710.db2.gz UARUKJDDRKABMN-BBWFWOEESA-N 1 0 435.550 -0.022 20 0 IBADRO CC(=O)N[C@@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)C(C)C ZINC001144362168 1074073722 /nfs/dbraw/zinc/07/37/22/1074073722.db2.gz UARUKJDDRKABMN-GVDBMIGSSA-N 1 0 435.550 -0.022 20 0 IBADRO CC(=O)N[C@H](C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21)C(C)C ZINC001144367172 1074073640 /nfs/dbraw/zinc/07/36/40/1074073640.db2.gz MKBMWAUTLBSBBB-AWEZNQCLSA-N 1 0 426.499 -0.075 20 0 IBADRO CC(=O)N[C@@H](C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21)C(C)C ZINC001144367173 1074073532 /nfs/dbraw/zinc/07/35/32/1074073532.db2.gz MKBMWAUTLBSBBB-CQSZACIVSA-N 1 0 426.499 -0.075 20 0 IBADRO C[C@@H](CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1 ZINC001144429822 1074074408 /nfs/dbraw/zinc/07/44/08/1074074408.db2.gz GOUDCZHRKWLHBM-NJMVTPPXSA-N 1 0 428.449 -0.413 20 0 IBADRO C[C@H](CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N)c1ccccc1 ZINC001144429824 1074074497 /nfs/dbraw/zinc/07/44/97/1074074497.db2.gz GOUDCZHRKWLHBM-NNOJAMEHSA-N 1 0 428.449 -0.413 20 0 IBADRO Cc1ccc([C@H](C)C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1 ZINC001144456581 1074074625 /nfs/dbraw/zinc/07/46/25/1074074625.db2.gz LVBBTBITSWOIRV-UJTCXDOBSA-N 1 0 428.449 -0.495 20 0 IBADRO Cc1ccc([C@@H](C)C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1 ZINC001144456582 1074074540 /nfs/dbraw/zinc/07/45/40/1074074540.db2.gz LVBBTBITSWOIRV-ZOGNHESBSA-N 1 0 428.449 -0.495 20 0 IBADRO CCN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)[C@H]1c1ccnn1C ZINC001144579203 1074074924 /nfs/dbraw/zinc/07/49/24/1074074924.db2.gz CRIKJTREBYQHIE-UXHICEINSA-N 1 0 434.541 -0.279 20 0 IBADRO CC(C)N(C(=O)CCCS(N)(=O)=O)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001144582188 1074075702 /nfs/dbraw/zinc/07/57/02/1074075702.db2.gz BITDQDAJRXGQFT-UHFFFAOYSA-N 1 0 440.570 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O=C(C(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899575 1074079474 /nfs/dbraw/zinc/07/94/74/1074079474.db2.gz LJZWUSYTFDWDMI-YUMYIRISSA-N 1 0 442.512 -0.066 20 0 IBADRO O=C(C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899664 1074079458 /nfs/dbraw/zinc/07/94/58/1074079458.db2.gz MLJZVIDVQXRMGD-ARFHVFGLSA-N 1 0 434.411 -0.570 20 0 IBADRO O=C(C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899665 1074079373 /nfs/dbraw/zinc/07/93/73/1074079373.db2.gz MLJZVIDVQXRMGD-BZUAXINKSA-N 1 0 434.411 -0.570 20 0 IBADRO O=C(C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899666 1074079430 /nfs/dbraw/zinc/07/94/30/1074079430.db2.gz MLJZVIDVQXRMGD-HRCADAONSA-N 1 0 434.411 -0.570 20 0 IBADRO O=C(C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899667 1074079382 /nfs/dbraw/zinc/07/93/82/1074079382.db2.gz MLJZVIDVQXRMGD-OWCLPIDISA-N 1 0 434.411 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PHWYHIHEMXCCQK-NJDAHSKKSA-N 1 0 443.500 -0.409 20 0 IBADRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905066 1074080674 /nfs/dbraw/zinc/08/06/74/1074080674.db2.gz PHWYHIHEMXCCQK-PCCBWWKXSA-N 1 0 443.500 -0.409 20 0 IBADRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905068 1074080591 /nfs/dbraw/zinc/08/05/91/1074080591.db2.gz PHWYHIHEMXCCQK-PWRODBHTSA-N 1 0 443.500 -0.409 20 0 IBADRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905070 1074080686 /nfs/dbraw/zinc/08/06/86/1074080686.db2.gz PHWYHIHEMXCCQK-QHAWAJNXSA-N 1 0 443.500 -0.409 20 0 IBADRO CN1CCn2nc(C(=O)NCc3ccc(C(=O)NCC[NH+](C)C)cc3)cc2S1(=O)=O ZINC001144932173 1074083025 /nfs/dbraw/zinc/08/30/25/1074083025.db2.gz ULLJLZMLWHRCNI-UHFFFAOYSA-N 1 0 434.522 -0.261 20 0 IBADRO COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001144943438 1074082801 /nfs/dbraw/zinc/08/28/01/1074082801.db2.gz IHPSQCRPFDFNKF-BZSNNMDCSA-N 1 0 428.493 -0.508 20 0 IBADRO COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001144943440 1074082840 /nfs/dbraw/zinc/08/28/40/1074082840.db2.gz IHPSQCRPFDFNKF-SQNIBIBYSA-N 1 0 428.493 -0.508 20 0 IBADRO COC(=O)[C@H](CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C)NC(C)=O ZINC001144957563 1074083317 /nfs/dbraw/zinc/08/33/17/1074083317.db2.gz SNUMIOGBHJHEMP-KRWDZBQOSA-N 1 0 439.557 -0.859 20 0 IBADRO COC(=O)[C@H](CCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)NC(C)=O ZINC001144966297 1074084288 /nfs/dbraw/zinc/08/42/88/1074084288.db2.gz RWCGGOQODMYFLN-INIZCTEOSA-N 1 0 426.495 -0.610 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001145062483 1074085271 /nfs/dbraw/zinc/08/52/71/1074085271.db2.gz BZJSQHXPFMNJJF-KRWDZBQOSA-N 1 0 431.603 -0.553 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001145062487 1074085186 /nfs/dbraw/zinc/08/51/86/1074085186.db2.gz 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CC1(C)[C@H](C(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146254756 1074091838 /nfs/dbraw/zinc/09/18/38/1074091838.db2.gz QEJJGPDEGODLDC-MSOLQXFVSA-N 1 0 435.550 -0.002 20 0 IBADRO CC1(C)[C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146254769 1074091757 /nfs/dbraw/zinc/09/17/57/1074091757.db2.gz QPQXUHHUHUMIEM-CTTHAOKLSA-N 1 0 449.533 -0.432 20 0 IBADRO CC1(C)[C@H](C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)N2C(=O)C[C@H]2S1(=O)=O ZINC001146254777 1074091751 /nfs/dbraw/zinc/09/17/51/1074091751.db2.gz KIKJZLPWECDXAJ-CVEARBPZSA-N 1 0 432.502 -0.023 20 0 IBADRO CC1(C)[C@H](C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146256949 1074093390 /nfs/dbraw/zinc/09/33/90/1074093390.db2.gz KCJNGRSVWXMAJX-MSOLQXFVSA-N 1 0 436.534 -0.127 20 0 IBADRO CC1(C)[C@H](C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146266167 1074092939 /nfs/dbraw/zinc/09/29/39/1074092939.db2.gz FIEJSCOLXSMXFO-SJORKVTESA-N 1 0 448.545 -0.243 20 0 IBADRO CC1(C)[C@H](C(=O)n2cc(Br)ccc2=NCC[NH3+])N2C(=O)C[C@H]2S1(=O)=O ZINC001146266208 1074093165 /nfs/dbraw/zinc/09/31/65/1074093165.db2.gz GNWJEEGAGUOWPP-OLZOCXBDSA-N 1 0 431.312 -0.116 20 0 IBADRO CC1(C)[C@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146266530 1074092965 /nfs/dbraw/zinc/09/29/65/1074092965.db2.gz KIELUNBJQBCPNK-MSOLQXFVSA-N 1 0 440.566 -0.287 20 0 IBADRO CC1(C)[C@H](C(=O)N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146267110 1074093118 /nfs/dbraw/zinc/09/31/18/1074093118.db2.gz OPTYSGQMURTNGT-CVEARBPZSA-N 1 0 435.506 -0.116 20 0 IBADRO CN(CC1C[NH+](C)C1)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001146320662 1074093954 /nfs/dbraw/zinc/09/39/54/1074093954.db2.gz UDHKPPAURIBRMC-HNNXBMFYSA-N 1 0 440.522 -0.610 20 0 IBADRO CN(CC1C[NH+](C)C1)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001146320665 1074093794 /nfs/dbraw/zinc/09/37/94/1074093794.db2.gz UDHKPPAURIBRMC-OAHLLOKOSA-N 1 0 440.522 -0.610 20 0 IBADRO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C ZINC001146444160 1074094605 /nfs/dbraw/zinc/09/46/05/1074094605.db2.gz PDYDYSZDBDPIOI-KBPBESRZSA-N 1 0 440.501 -0.038 20 0 IBADRO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C ZINC001146444161 1074094645 /nfs/dbraw/zinc/09/46/45/1074094645.db2.gz PDYDYSZDBDPIOI-UONOGXRCSA-N 1 0 440.501 -0.038 20 0 IBADRO CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001146526245 1074095403 /nfs/dbraw/zinc/09/54/03/1074095403.db2.gz VWOHQRNGVAPZBW-CYBMUJFWSA-N 1 0 443.505 -0.586 20 0 IBADRO CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001146526248 1074095354 /nfs/dbraw/zinc/09/53/54/1074095354.db2.gz VWOHQRNGVAPZBW-ZDUSSCGKSA-N 1 0 443.505 -0.586 20 0 IBADRO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001146617686 1074096274 /nfs/dbraw/zinc/09/62/74/1074096274.db2.gz BKKDRCVDUIKFCC-GUDVDZBRSA-N 1 0 425.489 -0.221 20 0 IBADRO 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O=S(=O)(c1ccccn1)N(c1nc2c(c(N3CCOCC3)n1)CNC2)[C@@H]1CC[NH2+]C1 ZINC001157111620 1073158375 /nfs/dbraw/zinc/15/83/75/1073158375.db2.gz KUGFKCRMYLULNN-CQSZACIVSA-N 1 0 431.522 -0.131 20 0 IBADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1 ZINC001157112959 1073158354 /nfs/dbraw/zinc/15/83/54/1073158354.db2.gz WQWWJGAWJQPTEU-LLVKDONJSA-N 1 0 441.491 -0.532 20 0 IBADRO COC(=O)c1cc(S(N)(=O)=O)cnc1N([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccccn1 ZINC001157112964 1073158341 /nfs/dbraw/zinc/15/83/41/1073158341.db2.gz WQWWJGAWJQPTEU-NSHDSACASA-N 1 0 441.491 -0.532 20 0 IBADRO COC(=O)c1cnc(N[C@H](CCC[NH3+])C(=O)OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001157117998 1073158333 /nfs/dbraw/zinc/15/83/33/1073158333.db2.gz USEYXYHCAKZRDX-CYBMUJFWSA-N 1 0 430.483 -0.419 20 0 IBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001157163258 1073158385 /nfs/dbraw/zinc/15/83/85/1073158385.db2.gz SOVSLUBIWDWSLF-DOTOQJQBSA-N 1 0 442.582 -0.529 20 0 IBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001157163259 1073158810 /nfs/dbraw/zinc/15/88/10/1073158810.db2.gz SOVSLUBIWDWSLF-NVXWUHKLSA-N 1 0 442.582 -0.529 20 0 IBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001157163260 1073158895 /nfs/dbraw/zinc/15/88/95/1073158895.db2.gz SOVSLUBIWDWSLF-RDJZCZTQSA-N 1 0 442.582 -0.529 20 0 IBADRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001157163261 1073158864 /nfs/dbraw/zinc/15/88/64/1073158864.db2.gz SOVSLUBIWDWSLF-WBVHZDCISA-N 1 0 442.582 -0.529 20 0 IBADRO COCCn1cc(N2C[C@H](C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)CC2=O)cn1 ZINC001157212699 1073158852 /nfs/dbraw/zinc/15/88/52/1073158852.db2.gz RKTQRGIOQMQLEB-CRAIPNDOSA-N 1 0 432.525 -0.306 20 0 IBADRO COCCn1cc(N2C[C@@H](C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)CC2=O)cn1 ZINC001157212700 1073158889 /nfs/dbraw/zinc/15/88/89/1073158889.db2.gz RKTQRGIOQMQLEB-MAUKXSAKSA-N 1 0 432.525 -0.306 20 0 IBADRO COCCn1cc(N2C[C@H](C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)CC2=O)cn1 ZINC001157212701 1073158848 /nfs/dbraw/zinc/15/88/48/1073158848.db2.gz RKTQRGIOQMQLEB-QAPCUYQASA-N 1 0 432.525 -0.306 20 0 IBADRO COCCn1cc(N2C[C@@H](C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)CC2=O)cn1 ZINC001157212702 1073158834 /nfs/dbraw/zinc/15/88/34/1073158834.db2.gz RKTQRGIOQMQLEB-YJBOKZPZSA-N 1 0 432.525 -0.306 20 0 IBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC001157223256 1073158878 /nfs/dbraw/zinc/15/88/78/1073158878.db2.gz WOLLWTXIDAXNPR-GOSISDBHSA-N 1 0 438.550 -0.276 20 0 IBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC001157223258 1073159332 /nfs/dbraw/zinc/15/93/32/1073159332.db2.gz WOLLWTXIDAXNPR-SFHVURJKSA-N 1 0 438.550 -0.276 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001157303306 1073159365 /nfs/dbraw/zinc/15/93/65/1073159365.db2.gz GIVPGIONNBTGFS-FXAWDEMLSA-N 1 0 427.505 -0.055 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001157303322 1073159782 /nfs/dbraw/zinc/15/97/82/1073159782.db2.gz GIVPGIONNBTGFS-PXNSSMCTSA-N 1 0 427.505 -0.055 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001157303778 1073159753 /nfs/dbraw/zinc/15/97/53/1073159753.db2.gz ODQRKVPKZGGHJZ-KBPBESRZSA-N 1 0 445.442 -0.509 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1cncn1C)C(N)=O ZINC001157308923 1073160197 /nfs/dbraw/zinc/16/01/97/1073160197.db2.gz AQBYEKOBVZTAML-KSZLIROESA-N 1 0 430.509 -0.651 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)C(N)=O ZINC001157308946 1073160320 /nfs/dbraw/zinc/16/03/20/1073160320.db2.gz BJOBUDANSQWZHB-FXTJJVCJSA-N 1 0 432.521 -0.187 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)C(=O)NCC(=O)OC(C)(C)C ZINC001157308973 1073160340 /nfs/dbraw/zinc/16/03/40/1073160340.db2.gz CDTDLJQIMZHBKD-CABCVRRESA-N 1 0 449.556 -0.087 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)C(=O)NCC(=O)OC(C)(C)C ZINC001157308974 1073160276 /nfs/dbraw/zinc/16/02/76/1073160276.db2.gz CDTDLJQIMZHBKD-GJZGRUSLSA-N 1 0 449.556 -0.087 20 0 IBADRO CC(C)C[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C(=O)NCC(=O)OC(C)(C)C ZINC001157309850 1073160307 /nfs/dbraw/zinc/16/03/07/1073160307.db2.gz MJBRLWYCKREDFJ-MJBXVCDLSA-N 1 0 443.545 -0.927 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001157310226 1073160349 /nfs/dbraw/zinc/16/03/49/1073160349.db2.gz RUSNHUJREUMNHA-CEXWTWQISA-N 1 0 435.484 -0.572 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001157310227 1073160220 /nfs/dbraw/zinc/16/02/20/1073160220.db2.gz RUSNHUJREUMNHA-FHWLQOOXSA-N 1 0 435.484 -0.572 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001157310228 1073160325 /nfs/dbraw/zinc/16/03/25/1073160325.db2.gz RUSNHUJREUMNHA-GBESFXJTSA-N 1 0 435.484 -0.572 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001157310229 1073160235 /nfs/dbraw/zinc/16/02/35/1073160235.db2.gz RUSNHUJREUMNHA-QYZOEREBSA-N 1 0 435.484 -0.572 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[NH2+]Cc2ccnn2C1)C(N)=O ZINC001157310289 1073160170 /nfs/dbraw/zinc/16/01/70/1073160170.db2.gz UMYPEENUWBKKHG-IPELMVKDSA-N 1 0 442.520 -0.338 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[NH2+]Cc2ccnn2C1)C(N)=O ZINC001157310290 1073160191 /nfs/dbraw/zinc/16/01/91/1073160191.db2.gz UMYPEENUWBKKHG-LZQZEXGQSA-N 1 0 442.520 -0.338 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)C(=O)NCC(=O)OC(C)(C)C ZINC001157310481 1073160790 /nfs/dbraw/zinc/16/07/90/1073160790.db2.gz YVCBWENGAPLRNX-KBPBESRZSA-N 1 0 431.555 -0.248 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2)C(=O)NCC(=O)OC(C)(C)C ZINC001157310482 1073160860 /nfs/dbraw/zinc/16/08/60/1073160860.db2.gz YVCBWENGAPLRNX-KGLIPLIRSA-N 1 0 431.555 -0.248 20 0 IBADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001157323757 1073160767 /nfs/dbraw/zinc/16/07/67/1073160767.db2.gz YQYJXBHEIWMHRJ-HOTGVXAUSA-N 1 0 449.556 -0.386 20 0 IBADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001157323758 1073160851 /nfs/dbraw/zinc/16/08/51/1073160851.db2.gz YQYJXBHEIWMHRJ-JKSUJKDBSA-N 1 0 449.556 -0.386 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)C(N)=O ZINC001157324072 1073160833 /nfs/dbraw/zinc/16/08/33/1073160833.db2.gz CQBGPTPJDYNOFR-YYTXDEJISA-N 1 0 432.521 -0.187 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ncn2c1C[NH2+]CC2)C(N)=O ZINC001157324449 1073160733 /nfs/dbraw/zinc/16/07/33/1073160733.db2.gz GRCODKIASMGKCZ-WBVHZDCISA-N 1 0 428.493 -0.341 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cnc2n1CC[NH2+]CC2)C(N)=O ZINC001157324470 1073160824 /nfs/dbraw/zinc/16/08/24/1073160824.db2.gz HHFGDLNOVMMQBI-APWZRJJASA-N 1 0 442.520 -0.298 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)C(N)=O ZINC001157324473 1073160677 /nfs/dbraw/zinc/16/06/77/1073160677.db2.gz HMJLIQOEKUQPPL-YYTXDEJISA-N 1 0 432.521 -0.187 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)C(N)=O ZINC001157324498 1073160684 /nfs/dbraw/zinc/16/06/84/1073160684.db2.gz ICBJPKQPBKJCKC-DBDQLMEASA-N 1 0 432.521 -0.330 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)C(N)=O ZINC001157324499 1073160800 /nfs/dbraw/zinc/16/08/00/1073160800.db2.gz ICBJPKQPBKJCKC-DZRGKWQISA-N 1 0 432.521 -0.330 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21)C(N)=O ZINC001157324500 1073160702 /nfs/dbraw/zinc/16/07/02/1073160702.db2.gz ICBJPKQPBKJCKC-RXABAKJHSA-N 1 0 432.521 -0.330 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)C(N)=O ZINC001157324501 1073160742 /nfs/dbraw/zinc/16/07/42/1073160742.db2.gz ICBJPKQPBKJCKC-SXXASDTRSA-N 1 0 432.521 -0.330 20 0 IBADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C ZINC001157324504 1073160847 /nfs/dbraw/zinc/16/08/47/1073160847.db2.gz IDLNBVGTKBRVHQ-TVFCKZIOSA-N 1 0 448.520 -0.556 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN(C)[C@H]1CCC[NH2+]C1)C(N)=O ZINC001157324823 1073161237 /nfs/dbraw/zinc/16/12/37/1073161237.db2.gz LAQNTUXXEVLNAQ-HQRMLTQVSA-N 1 0 433.553 -0.271 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN(C)[C@@H]1CCC[NH2+]C1)C(N)=O ZINC001157324824 1073161113 /nfs/dbraw/zinc/16/11/13/1073161113.db2.gz LAQNTUXXEVLNAQ-POAQFYNOSA-N 1 0 433.553 -0.271 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN1CCCC[C@H]([NH3+])C1=O)C(N)=O ZINC001157325147 1073161312 /nfs/dbraw/zinc/16/13/12/1073161312.db2.gz QAMTYNFJJCMNSO-SCTDSRPQSA-N 1 0 447.536 -0.615 20 0 IBADRO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C ZINC001157325408 1073161140 /nfs/dbraw/zinc/16/11/40/1073161140.db2.gz QMPNUDTUKUSIBS-BDXSIMOUSA-N 1 0 434.493 -0.803 20 0 IBADRO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C ZINC001157325409 1073161332 /nfs/dbraw/zinc/16/13/32/1073161332.db2.gz QMPNUDTUKUSIBS-MHORFTMASA-N 1 0 434.493 -0.803 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C ZINC001157325410 1073161080 /nfs/dbraw/zinc/16/10/80/1073161080.db2.gz QMPNUDTUKUSIBS-MLHJIOFPSA-N 1 0 434.493 -0.803 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C ZINC001157325411 1073161349 /nfs/dbraw/zinc/16/13/49/1073161349.db2.gz QMPNUDTUKUSIBS-TVFCKZIOSA-N 1 0 434.493 -0.803 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1noc2c1C[NH2+]CC2)C(N)=O ZINC001157325474 1073161292 /nfs/dbraw/zinc/16/12/92/1073161292.db2.gz SYKYXAZKBFGNKV-WBVHZDCISA-N 1 0 429.477 -0.007 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)C(N)=O ZINC001157325616 1073161224 /nfs/dbraw/zinc/16/12/24/1073161224.db2.gz VDTCNNDLUKRGIQ-NNIGNNQHSA-N 1 0 432.521 -0.045 20 0 IBADRO CCOC(=O)C1(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)C(C)C)C[NH2+]C1 ZINC001157325658 1073161337 /nfs/dbraw/zinc/16/13/37/1073161337.db2.gz WDXPKFHTBASDNW-CVEARBPZSA-N 1 0 434.493 -0.802 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1=NO[C@@]2(CC[NH2+]C2)C1)C(N)=O ZINC001157325679 1073161151 /nfs/dbraw/zinc/16/11/51/1073161151.db2.gz XDOKCTSBJAMYKX-KUDFPVQQSA-N 1 0 431.493 -0.446 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1=NO[C@]2(CC[NH2+]C2)C1)C(N)=O ZINC001157325680 1073161163 /nfs/dbraw/zinc/16/11/63/1073161163.db2.gz XDOKCTSBJAMYKX-LDBYXDLTSA-N 1 0 431.493 -0.446 20 0 IBADRO 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-0.351 20 0 IBADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ncn2c1CN(C)S(=O)(=O)c1ccccc1-2 ZINC001157354633 1073161705 /nfs/dbraw/zinc/16/17/05/1073161705.db2.gz HPFIKROMFIUJOO-ZDUSSCGKSA-N 1 0 434.522 -0.020 20 0 IBADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(C(=O)OC)cc(N(C)S(C)(=O)=O)c1 ZINC001157355688 1073161730 /nfs/dbraw/zinc/16/17/30/1073161730.db2.gz UKRMBDOSZIBRDQ-HNNXBMFYSA-N 1 0 428.511 -0.158 20 0 IBADRO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1 ZINC001157355973 1073161762 /nfs/dbraw/zinc/16/17/62/1073161762.db2.gz ZPQQYVOQOOZUQL-KRWDZBQOSA-N 1 0 439.582 -0.185 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)c3[nH]nc4c3C[NH2+]CC4)ccc12 ZINC001157364411 1073161765 /nfs/dbraw/zinc/16/17/65/1073161765.db2.gz AQOWBJMJUGPDHX-UHFFFAOYSA-N 1 0 438.444 -0.045 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)C3=NO[C@@H]4C[NH2+]C[C@H]34)ccc12 ZINC001157364416 1073161691 /nfs/dbraw/zinc/16/16/91/1073161691.db2.gz ASVOKFMYNQAHDC-DZGCQCFKSA-N 1 0 427.417 -0.753 20 0 IBADRO 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Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)CN(C)[C@@H]3CCC[NH2+]C3)ccc12 ZINC001157364523 1073162208 /nfs/dbraw/zinc/16/22/08/1073162208.db2.gz DSBHRIONUVRJFO-MRXNPFEDSA-N 1 0 443.504 -0.044 20 0 IBADRO COC(=O)CC[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001157364748 1073162069 /nfs/dbraw/zinc/16/20/69/1073162069.db2.gz HLHJFYOYJWZHOA-AWEZNQCLSA-N 1 0 432.433 -0.447 20 0 IBADRO COC(=O)CC[C@@H]([NH3+])C(=O)NCC(=O)NCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001157364749 1073162198 /nfs/dbraw/zinc/16/21/98/1073162198.db2.gz HLHJFYOYJWZHOA-CQSZACIVSA-N 1 0 432.433 -0.447 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3CCCN3C(=O)C[NH3+])ccc12 ZINC001157364751 1073162104 /nfs/dbraw/zinc/16/21/04/1073162104.db2.gz HODGTJJIWPOFKX-HNNXBMFYSA-N 1 0 443.460 -0.778 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3C[NH2+]C[C@@H]4CCO[C@H]43)ccc12 ZINC001157364752 1073162079 /nfs/dbraw/zinc/16/20/79/1073162079.db2.gz HRQBXKRLKWJSJW-CQURBHOASA-N 1 0 442.472 -0.103 20 0 IBADRO 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IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)CNC3CC[NH2+]CC3)ccc12 ZINC001157364933 1073162125 /nfs/dbraw/zinc/16/21/25/1073162125.db2.gz NXWYSQXWDXCQBD-UHFFFAOYSA-N 1 0 429.477 -0.386 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)C[C@@H]([NH3+])CCC(N)=O)ccc12 ZINC001157364943 1073162085 /nfs/dbraw/zinc/16/20/85/1073162085.db2.gz OOEACKARMXZCCX-LBPRGKRZSA-N 1 0 431.449 -0.745 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@]34C[NH2+]C[C@H]3CCN4)ccc12 ZINC001157364950 1073162098 /nfs/dbraw/zinc/16/20/98/1073162098.db2.gz OSTYQTDWBHCCSR-ASSNKEHSSA-N 1 0 427.461 -0.776 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@]34C[NH2+]C[C@H]3CCN4)ccc12 ZINC001157364951 1073162145 /nfs/dbraw/zinc/16/21/45/1073162145.db2.gz OSTYQTDWBHCCSR-LRTDBIEQSA-N 1 0 427.461 -0.776 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)ccc12 ZINC001157364952 1073162590 /nfs/dbraw/zinc/16/25/90/1073162590.db2.gz OSTYQTDWBHCCSR-YEJXKQKISA-N 1 0 427.461 -0.776 20 0 IBADRO 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Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@]3(C)CC[NH2+]C[C@H]3O)ccc12 ZINC001157365048 1073162517 /nfs/dbraw/zinc/16/25/17/1073162517.db2.gz RWNOWQHPYPMLKF-IIBYNOLFSA-N 1 0 430.461 -0.367 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@]3(C)CC[NH2+]C[C@@H]3O)ccc12 ZINC001157365049 1073162519 /nfs/dbraw/zinc/16/25/19/1073162519.db2.gz RWNOWQHPYPMLKF-KKSFZXQISA-N 1 0 430.461 -0.367 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NCC(=O)NCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001157365185 1073162618 /nfs/dbraw/zinc/16/26/18/1073162618.db2.gz SYGUQWBCXRWVCD-DOTOQJQBSA-N 1 0 444.444 -0.577 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(=O)NCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001157365186 1073162543 /nfs/dbraw/zinc/16/25/43/1073162543.db2.gz SYGUQWBCXRWVCD-NVXWUHKLSA-N 1 0 444.444 -0.577 20 0 IBADRO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NCC(=O)NCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001157365187 1073162515 /nfs/dbraw/zinc/16/25/15/1073162515.db2.gz SYGUQWBCXRWVCD-RDJZCZTQSA-N 1 0 444.444 -0.577 20 0 IBADRO 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O=C(COCc1nnn2c1CN(C(=O)c1[nH]nc3c1C[NH2+]CC3)CCC2)N1CCCC1 ZINC001158630866 1073180448 /nfs/dbraw/zinc/18/04/48/1073180448.db2.gz YHCOYGRZSOAGQO-UHFFFAOYSA-N 1 0 428.497 -0.168 20 0 IBADRO O=C(COCc1nnn2c1CN(C(=O)C1=NO[C@@]3(CC[NH2+]C3)C1)CCC2)N1CCCC1 ZINC001158630894 1073180386 /nfs/dbraw/zinc/18/03/86/1073180386.db2.gz ZKSYRPWDAMEHEH-FQEVSTJZSA-N 1 0 431.497 -0.342 20 0 IBADRO O=C(COCc1nnn2c1CN(C(=O)C1=NO[C@]3(CC[NH2+]C3)C1)CCC2)N1CCCC1 ZINC001158630895 1073180398 /nfs/dbraw/zinc/18/03/98/1073180398.db2.gz ZKSYRPWDAMEHEH-HXUWFJFHSA-N 1 0 431.497 -0.342 20 0 IBADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630903 1073180373 /nfs/dbraw/zinc/18/03/73/1073180373.db2.gz ZPMWWNOEGBNQCJ-INIZCTEOSA-N 1 0 433.513 -0.901 20 0 IBADRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1nc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001158636384 1073181024 /nfs/dbraw/zinc/18/10/24/1073181024.db2.gz KYUPXYIIYYBEAU-FOIQADDNSA-N 1 0 433.513 -0.724 20 0 IBADRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1nc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001158636386 1073180966 /nfs/dbraw/zinc/18/09/66/1073180966.db2.gz KYUPXYIIYYBEAU-MGPUTAFESA-N 1 0 433.513 -0.724 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1nc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001158636387 1073180976 /nfs/dbraw/zinc/18/09/76/1073180976.db2.gz KYUPXYIIYYBEAU-QRWLVFNGSA-N 1 0 433.513 -0.724 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1nc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001158636388 1073180945 /nfs/dbraw/zinc/18/09/45/1073180945.db2.gz KYUPXYIIYYBEAU-YWZLYKJASA-N 1 0 433.513 -0.724 20 0 IBADRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001158641312 1073181008 /nfs/dbraw/zinc/18/10/08/1073181008.db2.gz ZZEXBZNFLTUFBJ-HRAATJIYSA-N 1 0 432.525 -0.119 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001158641314 1073181038 /nfs/dbraw/zinc/18/10/38/1073181038.db2.gz ZZEXBZNFLTUFBJ-IERDGZPVSA-N 1 0 432.525 -0.119 20 0 IBADRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001158641317 1073181069 /nfs/dbraw/zinc/18/10/69/1073181069.db2.gz ZZEXBZNFLTUFBJ-IIBYNOLFSA-N 1 0 432.525 -0.119 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc(N3CCOCC3)nc(N3CCOCC3)n1)CC2 ZINC001158641320 1073181068 /nfs/dbraw/zinc/18/10/68/1073181068.db2.gz ZZEXBZNFLTUFBJ-KKSFZXQISA-N 1 0 432.525 -0.119 20 0 IBADRO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@H]3O2)n1 ZINC001158645130 1073181015 /nfs/dbraw/zinc/18/10/15/1073181015.db2.gz CERLNHMMRCRIFI-XPYWIHLFSA-N 1 0 432.525 -0.014 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C3)nn1 ZINC001158645745 1073181073 /nfs/dbraw/zinc/18/10/73/1073181073.db2.gz HLALXBLFWLSKJH-MGBDUHSWSA-N 1 0 425.555 -0.073 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C3)nn1 ZINC001158645746 1073181047 /nfs/dbraw/zinc/18/10/47/1073181047.db2.gz HLALXBLFWLSKJH-MMTINHDZSA-N 1 0 425.555 -0.073 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C3)nn1 ZINC001158645747 1073180980 /nfs/dbraw/zinc/18/09/80/1073180980.db2.gz HLALXBLFWLSKJH-PFUOMBFISA-N 1 0 425.555 -0.073 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C3)nn1 ZINC001158645748 1073181051 /nfs/dbraw/zinc/18/10/51/1073181051.db2.gz HLALXBLFWLSKJH-QXTLTTITSA-N 1 0 425.555 -0.073 20 0 IBADRO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C3)nn1 ZINC001158646047 1073180999 /nfs/dbraw/zinc/18/09/99/1073180999.db2.gz IREGSWNNXBXANT-FTRWYGJKSA-N 1 0 435.529 -0.393 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C3)nn1 ZINC001158646048 1073181031 /nfs/dbraw/zinc/18/10/31/1073181031.db2.gz IREGSWNNXBXANT-GQIGUUNPSA-N 1 0 435.529 -0.393 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C3)nn1 ZINC001158646049 1073181081 /nfs/dbraw/zinc/18/10/81/1073181081.db2.gz IREGSWNNXBXANT-GUXCAODWSA-N 1 0 435.529 -0.393 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C3)nn1 ZINC001158646050 1073181040 /nfs/dbraw/zinc/18/10/40/1073181040.db2.gz IREGSWNNXBXANT-JXXFODFXSA-N 1 0 435.529 -0.393 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C3)nn1 ZINC001158646051 1073181056 /nfs/dbraw/zinc/18/10/56/1073181056.db2.gz IREGSWNNXBXANT-QINHECLXSA-N 1 0 435.529 -0.393 20 0 IBADRO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C3)nn1 ZINC001158646052 1073181061 /nfs/dbraw/zinc/18/10/61/1073181061.db2.gz IREGSWNNXBXANT-RZQQEMMASA-N 1 0 435.529 -0.393 20 0 IBADRO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C3)nn1 ZINC001158646053 1073181612 /nfs/dbraw/zinc/18/16/12/1073181612.db2.gz IREGSWNNXBXANT-TWOQFEAHSA-N 1 0 435.529 -0.393 20 0 IBADRO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C3)nn1 ZINC001158646054 1073181540 /nfs/dbraw/zinc/18/15/40/1073181540.db2.gz IREGSWNNXBXANT-YRNRMSPPSA-N 1 0 435.529 -0.393 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@H]2NC(=O)CC24C[NH2+]C4)C3)nn1 ZINC001158646637 1073181697 /nfs/dbraw/zinc/18/16/97/1073181697.db2.gz MQOKWLAZNOYUGH-FPDPHYFHSA-N 1 0 430.509 -0.691 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H]2NC(=O)CC24C[NH2+]C4)C3)nn1 ZINC001158646638 1073181674 /nfs/dbraw/zinc/18/16/74/1073181674.db2.gz MQOKWLAZNOYUGH-FQELHTAISA-N 1 0 430.509 -0.691 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]2NC(=O)CC24C[NH2+]C4)C3)nn1 ZINC001158646639 1073181670 /nfs/dbraw/zinc/18/16/70/1073181670.db2.gz MQOKWLAZNOYUGH-FYINFDKHSA-N 1 0 430.509 -0.691 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]2NC(=O)CC24C[NH2+]C4)C3)nn1 ZINC001158646640 1073181662 /nfs/dbraw/zinc/18/16/62/1073181662.db2.gz MQOKWLAZNOYUGH-YWMUFLPLSA-N 1 0 430.509 -0.691 20 0 IBADRO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C3)nn1 ZINC001158646912 1073181722 /nfs/dbraw/zinc/18/17/22/1073181722.db2.gz MROIGHFFAFWFGO-FIKGOQFSSA-N 1 0 432.525 -0.219 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C3)nn1 ZINC001158646913 1073181652 /nfs/dbraw/zinc/18/16/52/1073181652.db2.gz MROIGHFFAFWFGO-LLGFUMIMSA-N 1 0 432.525 -0.219 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C3)nn1 ZINC001158646914 1073181676 /nfs/dbraw/zinc/18/16/76/1073181676.db2.gz MROIGHFFAFWFGO-WWMYMODYSA-N 1 0 432.525 -0.219 20 0 IBADRO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C3)nn1 ZINC001158646915 1073181704 /nfs/dbraw/zinc/18/17/04/1073181704.db2.gz MROIGHFFAFWFGO-XGHQBKJUSA-N 1 0 432.525 -0.219 20 0 IBADRO CCOC(=O)C1(C(=O)N2CCOC[C@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)C[NH2+]C1 ZINC001158646962 1073181549 /nfs/dbraw/zinc/18/15/49/1073181549.db2.gz NHOFTVIUBIRQSD-JXFKEZNVSA-N 1 0 433.509 -0.016 20 0 IBADRO CCOC(=O)C1(C(=O)N2CCOC[C@@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)C[NH2+]C1 ZINC001158646963 1073181601 /nfs/dbraw/zinc/18/16/01/1073181601.db2.gz NHOFTVIUBIRQSD-OXJNMPFZSA-N 1 0 433.509 -0.016 20 0 IBADRO CCOC(=O)C1(C(=O)N2CCOC[C@@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)C[NH2+]C1 ZINC001158646964 1073181689 /nfs/dbraw/zinc/18/16/89/1073181689.db2.gz NHOFTVIUBIRQSD-OXQOHEQNSA-N 1 0 433.509 -0.016 20 0 IBADRO CCOC(=O)C1(C(=O)N2CCOC[C@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)C[NH2+]C1 ZINC001158646965 1073181627 /nfs/dbraw/zinc/18/16/27/1073181627.db2.gz NHOFTVIUBIRQSD-UZLBHIALSA-N 1 0 433.509 -0.016 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]2COC4(C[NH2+]C4)CN2)C3)nn1 ZINC001158648159 1073181642 /nfs/dbraw/zinc/18/16/42/1073181642.db2.gz SFIKCDBINXLTHK-FUHIMQAGSA-N 1 0 432.525 -0.839 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@H]2COC4(C[NH2+]C4)CN2)C3)nn1 ZINC001158648160 1073181568 /nfs/dbraw/zinc/18/15/68/1073181568.db2.gz SFIKCDBINXLTHK-HLIPFELVSA-N 1 0 432.525 -0.839 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H]2COC4(C[NH2+]C4)CN2)C3)nn1 ZINC001158648161 1073181712 /nfs/dbraw/zinc/18/17/12/1073181712.db2.gz SFIKCDBINXLTHK-MBOZVWFJSA-N 1 0 432.525 -0.839 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]2COC4(C[NH2+]C4)CN2)C3)nn1 ZINC001158648162 1073181588 /nfs/dbraw/zinc/18/15/88/1073181588.db2.gz SFIKCDBINXLTHK-UWVAXJGDSA-N 1 0 432.525 -0.839 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCOC[C@@]2(C[C@H](CNc3ccc(C)nn3)CO2)C1 ZINC001158648238 1073181686 /nfs/dbraw/zinc/18/16/86/1073181686.db2.gz SVHLXBVDVWDMHR-BMQTXXJKSA-N 1 0 433.509 -0.018 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCOC[C@]2(C[C@H](CNc3ccc(C)nn3)CO2)C1 ZINC001158648242 1073182036 /nfs/dbraw/zinc/18/20/36/1073182036.db2.gz SVHLXBVDVWDMHR-IIMDRIAPSA-N 1 0 433.509 -0.018 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCOC[C@@]2(C[C@@H](CNc3ccc(C)nn3)CO2)C1 ZINC001158648244 1073182130 /nfs/dbraw/zinc/18/21/30/1073182130.db2.gz SVHLXBVDVWDMHR-LXGFNABISA-N 1 0 433.509 -0.018 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCOC[C@]2(C[C@@H](CNc3ccc(C)nn3)CO2)C1 ZINC001158648246 1073182126 /nfs/dbraw/zinc/18/21/26/1073182126.db2.gz SVHLXBVDVWDMHR-UGNRZPKXSA-N 1 0 433.509 -0.018 20 0 IBADRO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C3)nn1 ZINC001158661595 1073182087 /nfs/dbraw/zinc/18/20/87/1073182087.db2.gz WRPSXFXSCRLDRP-FIKGOQFSSA-N 1 0 432.525 -0.301 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C3)nn1 ZINC001158661597 1073182093 /nfs/dbraw/zinc/18/20/93/1073182093.db2.gz WRPSXFXSCRLDRP-LLGFUMIMSA-N 1 0 432.525 -0.301 20 0 IBADRO Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C3)nn1 ZINC001158661599 1073182057 /nfs/dbraw/zinc/18/20/57/1073182057.db2.gz WRPSXFXSCRLDRP-WWMYMODYSA-N 1 0 432.525 -0.301 20 0 IBADRO Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C3)nn1 ZINC001158661600 1073182064 /nfs/dbraw/zinc/18/20/64/1073182064.db2.gz WRPSXFXSCRLDRP-XGHQBKJUSA-N 1 0 432.525 -0.301 20 0 IBADRO O=C(C1CC2(C[NH2+]C2)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680318 1073182568 /nfs/dbraw/zinc/18/25/68/1073182568.db2.gz CYQNLQPUTBIJHT-JKSUJKDBSA-N 1 0 433.534 -0.464 20 0 IBADRO O=C([C@H]1C[NH2+]C[C@H](F)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680324 1073182533 /nfs/dbraw/zinc/18/25/33/1073182533.db2.gz DIJWKXQMLWFJPR-DMRZNYOFSA-N 1 0 439.513 -0.516 20 0 IBADRO O=C([C@@H]1C[NH2+]C[C@H](F)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680325 1073182561 /nfs/dbraw/zinc/18/25/61/1073182561.db2.gz DIJWKXQMLWFJPR-DRPJVOAASA-N 1 0 439.513 -0.516 20 0 IBADRO O=C([C@@H]1C[NH2+]C[C@@H](F)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680326 1073182522 /nfs/dbraw/zinc/18/25/22/1073182522.db2.gz DIJWKXQMLWFJPR-QCEMKRCNSA-N 1 0 439.513 -0.516 20 0 IBADRO O=C([C@H]1C[NH2+]C[C@@H](F)C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680327 1073182539 /nfs/dbraw/zinc/18/25/39/1073182539.db2.gz DIJWKXQMLWFJPR-SYAUCNOPSA-N 1 0 439.513 -0.516 20 0 IBADRO C[C@@H]1CC[NH2+]C[C@H]1C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680363 1073183045 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435.550 -0.076 20 0 IBADRO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001158683140 1073183443 /nfs/dbraw/zinc/18/34/43/1073183443.db2.gz WASQYEXOQMRZIX-ASKKUZCQSA-N 1 0 433.534 -0.464 20 0 IBADRO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001158683141 1073183447 /nfs/dbraw/zinc/18/34/47/1073183447.db2.gz WASQYEXOQMRZIX-MFCZKXCZSA-N 1 0 433.534 -0.464 20 0 IBADRO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001158683142 1073183490 /nfs/dbraw/zinc/18/34/90/1073183490.db2.gz WASQYEXOQMRZIX-UIVXKWKOSA-N 1 0 433.534 -0.464 20 0 IBADRO O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001158683143 1073183424 /nfs/dbraw/zinc/18/34/24/1073183424.db2.gz WASQYEXOQMRZIX-ZFCANOHDSA-N 1 0 433.534 -0.464 20 0 IBADRO CC1(C)[C@H](C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C[C@@H]1[NH3+] ZINC001158683708 1073183418 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O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158683772 1073183440 /nfs/dbraw/zinc/18/34/40/1073183440.db2.gz ZJEDALMRYDADPR-ZFCANOHDSA-N 1 0 433.534 -0.464 20 0 IBADRO CC1(C)C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692081 1073183496 /nfs/dbraw/zinc/18/34/96/1073183496.db2.gz BAUREABTHFYWPS-ARFHVFGLSA-N 1 0 435.550 -0.218 20 0 IBADRO CC1(C)C[NH2+]C[C@H]1C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692084 1073183868 /nfs/dbraw/zinc/18/38/68/1073183868.db2.gz BAUREABTHFYWPS-HRCADAONSA-N 1 0 435.550 -0.218 20 0 IBADRO O=C(C=C1CC[NH2+]CC1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158692189 1073183782 /nfs/dbraw/zinc/18/37/82/1073183782.db2.gz CXUPYDFWPWGNNI-DLBZAZTESA-N 1 0 433.534 -0.154 20 0 IBADRO [NH3+]Cc1ccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cn1 ZINC001158692897 1073183893 /nfs/dbraw/zinc/18/38/93/1073183893.db2.gz JPAPNZFNBHYXBY-DLBZAZTESA-N 1 0 444.517 -0.297 20 0 IBADRO [NH3+]C1(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)CC(F)C1 ZINC001158692944 1073183904 /nfs/dbraw/zinc/18/39/04/1073183904.db2.gz KGOVUESSIBPQNH-RYTBJUFESA-N 1 0 425.486 -0.635 20 0 IBADRO [NH3+][C@@H](CC(F)F)C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694018 1073183883 /nfs/dbraw/zinc/18/38/83/1073183883.db2.gz QQHSPEQMSXIGFD-RWMBFGLXSA-N 1 0 431.465 -0.482 20 0 IBADRO Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)C[NH3+])C[C@H]3O2)n1 ZINC001158694077 1073183795 /nfs/dbraw/zinc/18/37/95/1073183795.db2.gz RCTWALVPLQYQLT-VLVIQNCWSA-N 1 0 434.497 -0.489 20 0 IBADRO O=C([C@H]1CC[NH2+]C[C@H]1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694608 1073183872 /nfs/dbraw/zinc/18/38/72/1073183872.db2.gz UMRVBTXDVIVEGF-CAOSSQGBSA-N 1 0 439.513 -0.516 20 0 IBADRO O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694610 1073183864 /nfs/dbraw/zinc/18/38/64/1073183864.db2.gz 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1 0 428.493 -0.748 20 0 IBADRO O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(C(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)C[C@H]21 ZINC001159071830 1073196447 /nfs/dbraw/zinc/19/64/47/1073196447.db2.gz HQXVYOKDWMTWBR-WCVJEAGWSA-N 1 0 428.493 -0.748 20 0 IBADRO O=C(Nc1cnccn1)[C@H]1COC[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C[C@H]21 ZINC001159072822 1073196413 /nfs/dbraw/zinc/19/64/13/1073196413.db2.gz WMLOHPYNGHXAKH-ZBRFXRBCSA-N 1 0 442.520 -0.121 20 0 IBADRO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)cc1 ZINC001159073001 1073196468 /nfs/dbraw/zinc/19/64/68/1073196468.db2.gz ZDBVVFQFACDJMY-BDXSIMOUSA-N 1 0 438.488 -0.195 20 0 IBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001159073695 1073196502 /nfs/dbraw/zinc/19/65/02/1073196502.db2.gz AAIAPEQFJNSWAQ-INIZCTEOSA-N 1 0 430.553 -0.149 20 0 IBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1COC3(C1)CC[NH2+]CC3)CC2 ZINC001159073696 1073196277 /nfs/dbraw/zinc/19/62/77/1073196277.db2.gz 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/nfs/dbraw/zinc/19/69/61/1073196961.db2.gz CQDVNEKLUXDTSO-LZJOCLMNSA-N 1 0 446.552 -0.216 20 0 IBADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001159074879 1073196979 /nfs/dbraw/zinc/19/69/79/1073196979.db2.gz CQDVNEKLUXDTSO-WWMYMODYSA-N 1 0 446.552 -0.216 20 0 IBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC001159075319 1073197453 /nfs/dbraw/zinc/19/74/53/1073197453.db2.gz NCAMRPDLIUBBFK-GOSISDBHSA-N 1 0 430.553 -0.149 20 0 IBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC001159075321 1073197441 /nfs/dbraw/zinc/19/74/41/1073197441.db2.gz NCAMRPDLIUBBFK-SFHVURJKSA-N 1 0 430.553 -0.149 20 0 IBADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@]13CCCO[C@@H]1CC[NH2+]C3)CC2 ZINC001159075351 1073197422 /nfs/dbraw/zinc/19/74/22/1073197422.db2.gz NNCFUAIICFMVPV-XMSQKQJNSA-N 1 0 430.553 -0.149 20 0 IBADRO CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159075386 1073197463 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1073210397 /nfs/dbraw/zinc/21/03/97/1073210397.db2.gz UMEHDAGWOUVZQU-JQFCIGGWSA-N 1 0 443.508 -0.835 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ncn(C)c2[C@H]1COCc1cccnc1 ZINC001159376058 1073211094 /nfs/dbraw/zinc/21/10/94/1073211094.db2.gz UMEHDAGWOUVZQU-RRQGHBQHSA-N 1 0 443.508 -0.835 20 0 IBADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159388038 1073210876 /nfs/dbraw/zinc/21/08/76/1073210876.db2.gz JTPYGCAFWQZZKC-HNNXBMFYSA-N 1 0 431.522 -0.206 20 0 IBADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159388042 1073210905 /nfs/dbraw/zinc/21/09/05/1073210905.db2.gz JTPYGCAFWQZZKC-OAHLLOKOSA-N 1 0 431.522 -0.206 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCCn2nnc(CNc3cccnc3)c2C1)C(N)=O ZINC001159388341 1073210933 /nfs/dbraw/zinc/21/09/33/1073210933.db2.gz NBRJJMDSPOQSKN-DZGCQCFKSA-N 1 0 443.512 -0.885 20 0 IBADRO Cn1nc2c(c1C(=O)n1cc3c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C3)CNC2 ZINC001159393342 1073211081 /nfs/dbraw/zinc/21/10/81/1073211081.db2.gz CBJMGGJENRDSEK-GOEBONIOSA-N 1 0 443.533 -0.797 20 0 IBADRO O=C(c1cnc2n1CCNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393347 1073211122 /nfs/dbraw/zinc/21/11/22/1073211122.db2.gz CGGUYGLZVYFXQE-GOEBONIOSA-N 1 0 443.533 -0.834 20 0 IBADRO COC(=O)[C@@H](N)CCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393363 1073211013 /nfs/dbraw/zinc/21/10/13/1073211013.db2.gz CZJKXOKCWFMKMS-SOUVJXGZSA-N 1 0 437.522 -0.902 20 0 IBADRO O=C(c1n[nH]c2c1C[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393391 1073210956 /nfs/dbraw/zinc/21/09/56/1073210956.db2.gz FACZITJIWFYLGH-GOEBONIOSA-N 1 0 443.533 -0.765 20 0 IBADRO CNc1cc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)n(C)n1 ZINC001159393627 1073211060 /nfs/dbraw/zinc/21/10/60/1073211060.db2.gz GEKXLUYVWNSYOF-DZGCQCFKSA-N 1 0 431.522 -0.359 20 0 IBADRO COc1cncc(N)c1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393910 1073211346 /nfs/dbraw/zinc/21/13/46/1073211346.db2.gz IVARECPLAPPURM-XJKSGUPXSA-N 1 0 444.517 -0.148 20 0 IBADRO CC1(C)CN[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)CO1 ZINC001159393925 1073211459 /nfs/dbraw/zinc/21/14/59/1073211459.db2.gz JCMZJTHJMLFTRX-HRCADAONSA-N 1 0 435.550 -0.415 20 0 IBADRO Nc1cccn(CC(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)c1=O ZINC001159394238 1073211486 /nfs/dbraw/zinc/21/14/86/1073211486.db2.gz MBSHLKPUGVSCAR-GOEBONIOSA-N 1 0 444.517 -0.738 20 0 IBADRO N[C@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)c1cccnc1 ZINC001159394274 1073211301 /nfs/dbraw/zinc/21/13/01/1073211301.db2.gz MOMXGHDOGUPRSF-BBWFWOEESA-N 1 0 428.518 -0.087 20 0 IBADRO N[C@@H](C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)c1cccnc1 ZINC001159394276 1073211406 /nfs/dbraw/zinc/21/14/06/1073211406.db2.gz MOMXGHDOGUPRSF-GVDBMIGSSA-N 1 0 428.518 -0.087 20 0 IBADRO O=C(c1cc2n(n1)CCNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394599 1073211785 /nfs/dbraw/zinc/21/17/85/1073211785.db2.gz ORHPKQOMGLXYSI-DOTOQJQBSA-N 1 0 443.533 -0.834 20 0 IBADRO O=C(c1noc2c1CNCC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394642 1073211816 /nfs/dbraw/zinc/21/18/16/1073211816.db2.gz PGPQHQJWJCOOMN-GOEBONIOSA-N 1 0 444.517 -0.500 20 0 IBADRO COc1cc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)c(N)cn1 ZINC001159394681 1073212010 /nfs/dbraw/zinc/21/20/10/1073212010.db2.gz PQAMEZICQYILDT-GOEBONIOSA-N 1 0 444.517 -0.148 20 0 IBADRO N[C@@H](Cc1cscn1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394785 1073211956 /nfs/dbraw/zinc/21/19/56/1073211956.db2.gz QVOGXUFVHOLEME-HRCADAONSA-N 1 0 448.574 -0.156 20 0 IBADRO O=C(c1cnn2c1CNCC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394932 1073212001 /nfs/dbraw/zinc/21/20/01/1073212001.db2.gz STPUMFFLNABJAS-DOTOQJQBSA-N 1 0 443.533 -0.834 20 0 IBADRO CC(C)(C)OC[C@H](N)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394998 1073211863 /nfs/dbraw/zinc/21/18/63/1073211863.db2.gz UDUIKZKONRYLJC-HRCADAONSA-N 1 0 437.566 -0.040 20 0 IBADRO Nc1ncn(-c2cnn(CCN3CCOCC3)c2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159395170 1073211919 /nfs/dbraw/zinc/21/19/19/1073211919.db2.gz DONIKADJEIDOGX-GDBMZVCRSA-N 1 0 436.948 -0.492 20 0 IBADRO Nc1ncn(-c2cnn(CCN3CCOCC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159395171 1073212371 /nfs/dbraw/zinc/21/23/71/1073212371.db2.gz DONIKADJEIDOGX-GOEBONIOSA-N 1 0 436.948 -0.492 20 0 IBADRO Nc1ncn(-c2cnn(CCN3CCOCC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159395172 1073212350 /nfs/dbraw/zinc/21/23/50/1073212350.db2.gz DONIKADJEIDOGX-HOCLYGCPSA-N 1 0 436.948 -0.492 20 0 IBADRO Nc1ncn(-c2cnn(CCN3CCOCC3)c2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159395173 1073212445 /nfs/dbraw/zinc/21/24/45/1073212445.db2.gz DONIKADJEIDOGX-ZBFHGGJFSA-N 1 0 436.948 -0.492 20 0 IBADRO NCc1ncc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)s1 ZINC001159395232 1073212334 /nfs/dbraw/zinc/21/23/34/1073212334.db2.gz VJZNZTJVKBOPMW-GXTWGEPZSA-N 1 0 434.547 -0.219 20 0 IBADRO O=C(c1n[nH]c2c1CNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395285 1073212261 /nfs/dbraw/zinc/21/22/61/1073212261.db2.gz WIMXLSSPMPESGP-DZGCQCFKSA-N 1 0 429.506 -0.808 20 0 IBADRO O=C(c1ncn2c1CNCC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395794 1073212403 /nfs/dbraw/zinc/21/24/03/1073212403.db2.gz ZUEJRKSMNLIZEK-GOEBONIOSA-N 1 0 443.533 -0.834 20 0 IBADRO CNS(=O)(=O)c1ccc(-n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001159396483 1073212917 /nfs/dbraw/zinc/21/29/17/1073212917.db2.gz LRVIAUNVZOAISY-BXUZGUMPSA-N 1 0 426.930 -0.113 20 0 IBADRO CNS(=O)(=O)c1ccc(-n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001159396484 1073212922 /nfs/dbraw/zinc/21/29/22/1073212922.db2.gz LRVIAUNVZOAISY-FZMZJTMJSA-N 1 0 426.930 -0.113 20 0 IBADRO CNS(=O)(=O)c1ccc(-n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001159396486 1073212862 /nfs/dbraw/zinc/21/28/62/1073212862.db2.gz LRVIAUNVZOAISY-RISCZKNCSA-N 1 0 426.930 -0.113 20 0 IBADRO CNS(=O)(=O)c1ccc(-n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001159396489 1073212683 /nfs/dbraw/zinc/21/26/83/1073212683.db2.gz LRVIAUNVZOAISY-SMDDNHRTSA-N 1 0 426.930 -0.113 20 0 IBADRO CN1CCN(c2ncc(-n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)cn2)CC1 ZINC001159398592 1073212751 /nfs/dbraw/zinc/21/27/51/1073212751.db2.gz XJUJYNVECPRECZ-DZGCQCFKSA-N 1 0 433.948 -0.479 20 0 IBADRO CN1CCN(c2ncc(-n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)cn2)CC1 ZINC001159398594 1073212815 /nfs/dbraw/zinc/21/28/15/1073212815.db2.gz XJUJYNVECPRECZ-HIFRSBDPSA-N 1 0 433.948 -0.479 20 0 IBADRO CN1CCN(c2ncc(-n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)cn2)CC1 ZINC001159398597 1073212844 /nfs/dbraw/zinc/21/28/44/1073212844.db2.gz XJUJYNVECPRECZ-UKRRQHHQSA-N 1 0 433.948 -0.479 20 0 IBADRO CN1CCN(c2ncc(-n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)cn2)CC1 ZINC001159398598 1073212723 /nfs/dbraw/zinc/21/27/23/1073212723.db2.gz XJUJYNVECPRECZ-ZFWWWQNUSA-N 1 0 433.948 -0.479 20 0 IBADRO CNS(=O)(=O)c1cccc(-n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)c1 ZINC001159398621 1073212645 /nfs/dbraw/zinc/21/26/45/1073212645.db2.gz XMFZGPIDFDMVFK-BXUZGUMPSA-N 1 0 426.930 -0.113 20 0 IBADRO CNS(=O)(=O)c1cccc(-n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001159398622 1073212775 /nfs/dbraw/zinc/21/27/75/1073212775.db2.gz XMFZGPIDFDMVFK-FZMZJTMJSA-N 1 0 426.930 -0.113 20 0 IBADRO CNS(=O)(=O)c1cccc(-n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001159398623 1073212674 /nfs/dbraw/zinc/21/26/74/1073212674.db2.gz XMFZGPIDFDMVFK-RISCZKNCSA-N 1 0 426.930 -0.113 20 0 IBADRO CNS(=O)(=O)c1cccc(-n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)c1 ZINC001159398624 1073212873 /nfs/dbraw/zinc/21/28/73/1073212873.db2.gz XMFZGPIDFDMVFK-SMDDNHRTSA-N 1 0 426.930 -0.113 20 0 IBADRO CCOC[C@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)Cc2cnn(C)c21 ZINC001159402234 1073212789 /nfs/dbraw/zinc/21/27/89/1073212789.db2.gz GFEBVXNDKWUXOE-NEWSRXKRSA-N 1 0 445.520 -0.365 20 0 IBADRO CCOC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)Cc2cnn(C)c21 ZINC001159402235 1073212927 /nfs/dbraw/zinc/21/29/27/1073212927.db2.gz GFEBVXNDKWUXOE-WDSOQIARSA-N 1 0 445.520 -0.365 20 0 IBADRO CCN1C[C@H]2CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)CC[C@H]2S1(=O)=O ZINC001159402770 1073212704 /nfs/dbraw/zinc/21/27/04/1073212704.db2.gz DJGBRDWSEDHXHF-HLLBOEOZSA-N 1 0 438.554 -0.414 20 0 IBADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159403364 1073213212 /nfs/dbraw/zinc/21/32/12/1073213212.db2.gz JBUPHWIFNKSPKE-GLJUWKHASA-N 1 0 425.482 -0.149 20 0 IBADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159403367 1073213190 /nfs/dbraw/zinc/21/31/90/1073213190.db2.gz JBUPHWIFNKSPKE-LBTNJELSSA-N 1 0 425.482 -0.149 20 0 IBADRO CCN1C[C@H]2CCN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)CC[C@H]2S1(=O)=O ZINC001159404685 1073213388 /nfs/dbraw/zinc/21/33/88/1073213388.db2.gz WTLOASYWGGKIGG-BZUAXINKSA-N 1 0 433.596 -0.327 20 0 IBADRO CCN1C[C@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)CC[C@H]2S1(=O)=O ZINC001159404686 1073213284 /nfs/dbraw/zinc/21/32/84/1073213284.db2.gz WTLOASYWGGKIGG-OWCLPIDISA-N 1 0 433.596 -0.327 20 0 IBADRO COC(=O)CNC(=O)c1ccc(-n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001159404745 1073213350 /nfs/dbraw/zinc/21/33/50/1073213350.db2.gz MAAROLZNJPUZOB-DZGCQCFKSA-N 1 0 448.911 -0.118 20 0 IBADRO COC(=O)CNC(=O)c1ccc(-n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001159404746 1073213291 /nfs/dbraw/zinc/21/32/91/1073213291.db2.gz MAAROLZNJPUZOB-HIFRSBDPSA-N 1 0 448.911 -0.118 20 0 IBADRO COC(=O)CNC(=O)c1ccc(-n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001159404747 1073213228 /nfs/dbraw/zinc/21/32/28/1073213228.db2.gz MAAROLZNJPUZOB-UKRRQHHQSA-N 1 0 448.911 -0.118 20 0 IBADRO COC(=O)CNC(=O)c1ccc(-n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001159404748 1073213316 /nfs/dbraw/zinc/21/33/16/1073213316.db2.gz MAAROLZNJPUZOB-ZFWWWQNUSA-N 1 0 448.911 -0.118 20 0 IBADRO CNS(=O)(=O)c1ccccc1-n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001159405713 1073213344 /nfs/dbraw/zinc/21/33/44/1073213344.db2.gz QFWCSFUMMGRDOW-AAEUAGOBSA-N 1 0 426.930 -0.113 20 0 IBADRO CNS(=O)(=O)c1ccccc1-n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001159405714 1073213296 /nfs/dbraw/zinc/21/32/96/1073213296.db2.gz QFWCSFUMMGRDOW-DGCLKSJQSA-N 1 0 426.930 -0.113 20 0 IBADRO CNS(=O)(=O)c1ccccc1-n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001159405715 1073213258 /nfs/dbraw/zinc/21/32/58/1073213258.db2.gz QFWCSFUMMGRDOW-WCQYABFASA-N 1 0 426.930 -0.113 20 0 IBADRO CNS(=O)(=O)c1ccccc1-n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001159405716 1073213373 /nfs/dbraw/zinc/21/33/73/1073213373.db2.gz QFWCSFUMMGRDOW-YPMHNXCESA-N 1 0 426.930 -0.113 20 0 IBADRO 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429.521 -0.704 20 0 IBADRO Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@@H]4COC5(C[NH2+]C5)CN4)CC[C@H]3C2=O)n1 ZINC001159451072 1073215163 /nfs/dbraw/zinc/21/51/63/1073215163.db2.gz HPSCPIJUFFYDSK-QYZOEREBSA-N 1 0 429.521 -0.704 20 0 IBADRO Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@@H]4CCCN4C(=O)C[NH3+])CC[C@H]3C2=O)n1 ZINC001159451315 1073215205 /nfs/dbraw/zinc/21/52/05/1073215205.db2.gz KSJBZCVHCGBIRB-QYZOEREBSA-N 1 0 429.521 -0.084 20 0 IBADRO Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC[C@H]3C2=O)n1 ZINC001159451361 1073215220 /nfs/dbraw/zinc/21/52/20/1073215220.db2.gz LFPUHSOCGUPPFV-KURKYZTESA-N 1 0 432.525 -0.258 20 0 IBADRO Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC[C@H]3C2=O)n1 ZINC001159451364 1073215274 /nfs/dbraw/zinc/21/52/74/1073215274.db2.gz LFPUHSOCGUPPFV-SQNIBIBYSA-N 1 0 432.525 -0.258 20 0 IBADRO Cc1cccc(CN2CCO[C@H]3CN(C(=O)CNC(=O)[C@@H]4CCC[NH2+]4)CC[C@H]3C2=O)n1 ZINC001159451877 1073215545 /nfs/dbraw/zinc/21/55/45/1073215545.db2.gz ZLSHKMKICRVZFU-QYZOEREBSA-N 1 0 429.521 -0.166 20 0 IBADRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159456908 1073215609 /nfs/dbraw/zinc/21/56/09/1073215609.db2.gz ATFPIHCTIKBESM-MTQWCTHYSA-N 1 0 447.557 -0.179 20 0 IBADRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159456909 1073215576 /nfs/dbraw/zinc/21/55/76/1073215576.db2.gz ATFPIHCTIKBESM-UAFMIMERSA-N 1 0 447.557 -0.179 20 0 IBADRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159456910 1073215719 /nfs/dbraw/zinc/21/57/19/1073215719.db2.gz ATFPIHCTIKBESM-YSTOQKLRSA-N 1 0 447.557 -0.179 20 0 IBADRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159456911 1073215599 /nfs/dbraw/zinc/21/55/99/1073215599.db2.gz ATFPIHCTIKBESM-ZGXWSNOMSA-N 1 0 447.557 -0.179 20 0 IBADRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)C[C@@H]21)N1CCOCC1 ZINC001159456940 1073215745 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DSLGULMVPPXOBZ-ZOFXXKQRSA-N 1 0 431.530 -0.555 20 0 IBADRO CC1(C)[C@H](C[NH3+])C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457138 1073216024 /nfs/dbraw/zinc/21/60/24/1073216024.db2.gz FSBYUUXMMCYOFK-FIDHJVLJSA-N 1 0 427.567 -0.272 20 0 IBADRO CC1(C)[C@H](C[NH3+])C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457139 1073216106 /nfs/dbraw/zinc/21/61/06/1073216106.db2.gz FSBYUUXMMCYOFK-MZBWOGCUSA-N 1 0 427.567 -0.272 20 0 IBADRO CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457716 1073216030 /nfs/dbraw/zinc/21/60/30/1073216030.db2.gz ITVPBUQKQWPADN-JHMPBIJASA-N 1 0 425.551 -0.649 20 0 IBADRO CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457717 1073216016 /nfs/dbraw/zinc/21/60/16/1073216016.db2.gz ITVPBUQKQWPADN-NEXGVSGLSA-N 1 0 425.551 -0.649 20 0 IBADRO [NH3+]C1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)Cc2ccccc2C1 ZINC001159457738 1073216177 /nfs/dbraw/zinc/21/61/77/1073216177.db2.gz JFASULMTZFHKII-GUDVDZBRSA-N 1 0 447.557 -0.397 20 0 IBADRO [NH3+]C1(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)Cc2ccccc2C1 ZINC001159457739 1073216134 /nfs/dbraw/zinc/21/61/34/1073216134.db2.gz JFASULMTZFHKII-IPMKNSEASA-N 1 0 447.557 -0.397 20 0 IBADRO O=C(C1CCC2(C[NH2+]C2)CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457748 1073216091 /nfs/dbraw/zinc/21/60/91/1073216091.db2.gz JIODXQCHKGKINL-KZNAEPCWSA-N 1 0 439.578 -0.113 20 0 IBADRO O=C(C1CCC2(C[NH2+]C2)CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457749 1073216163 /nfs/dbraw/zinc/21/61/63/1073216163.db2.gz JIODXQCHKGKINL-RCCFBDPRSA-N 1 0 439.578 -0.113 20 0 IBADRO O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)C(F)(F)C3CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001159457758 1073216149 /nfs/dbraw/zinc/21/61/49/1073216149.db2.gz JTGVYUFQDAYDHU-ARFHVFGLSA-N 1 0 449.520 -0.258 20 0 IBADRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)C(F)(F)C3CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001159457759 1073216145 /nfs/dbraw/zinc/21/61/45/1073216145.db2.gz JTGVYUFQDAYDHU-BZUAXINKSA-N 1 0 449.520 -0.258 20 0 IBADRO [NH3+][C@@H](Cc1ccsc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457772 1073216079 /nfs/dbraw/zinc/21/60/79/1073216079.db2.gz KEZKATMLSANRDV-VVLHAWIVSA-N 1 0 441.575 -0.262 20 0 IBADRO [NH3+][C@@H](Cc1ccsc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457773 1073216167 /nfs/dbraw/zinc/21/61/67/1073216167.db2.gz KEZKATMLSANRDV-WCXIOVBPSA-N 1 0 441.575 -0.262 20 0 IBADRO C[NH2+][C@H](Cc1ccccc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457976 1073216513 /nfs/dbraw/zinc/21/65/13/1073216513.db2.gz KHVJRRCWNOXOCM-MTQWCTHYSA-N 1 0 449.573 -0.062 20 0 IBADRO C[NH2+][C@H](Cc1ccccc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457977 1073216421 /nfs/dbraw/zinc/21/64/21/1073216421.db2.gz KHVJRRCWNOXOCM-UAFMIMERSA-N 1 0 449.573 -0.062 20 0 IBADRO C[NH2+]C1CCC(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1 ZINC001159458012 1073216585 /nfs/dbraw/zinc/21/65/85/1073216585.db2.gz KVTNXWWHNUBQHW-NHHFINERSA-N 1 0 427.567 -0.115 20 0 IBADRO C[NH2+]C1CCC(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1 ZINC001159458013 1073216572 /nfs/dbraw/zinc/21/65/72/1073216572.db2.gz KVTNXWWHNUBQHW-YXYCDRMUSA-N 1 0 427.567 -0.115 20 0 IBADRO [NH3+]C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)c1ccccc1 ZINC001159458046 1073216390 /nfs/dbraw/zinc/21/63/90/1073216390.db2.gz LUQRORPVZVWGMA-NCXUSEDFSA-N 1 0 435.546 -0.151 20 0 IBADRO [NH3+]C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)c1ccccc1 ZINC001159458047 1073216441 /nfs/dbraw/zinc/21/64/41/1073216441.db2.gz LUQRORPVZVWGMA-WJFTUGDTSA-N 1 0 435.546 -0.151 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458284 1073216491 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O=C([C@H]1CCSC12C[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458291 1073216831 /nfs/dbraw/zinc/21/68/31/1073216831.db2.gz MOBPSYRAGZTSMU-ZJIFWQFVSA-N 1 0 443.591 -0.798 20 0 IBADRO [NH3+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458312 1073216975 /nfs/dbraw/zinc/21/69/75/1073216975.db2.gz MYSJPOYQELCPQC-AECVATKNSA-N 1 0 425.551 -0.520 20 0 IBADRO [NH3+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458313 1073216994 /nfs/dbraw/zinc/21/69/94/1073216994.db2.gz MYSJPOYQELCPQC-QQNKPZKVSA-N 1 0 425.551 -0.520 20 0 IBADRO [NH3+]C12CCC(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)(CC1)C2 ZINC001159458318 1073216983 /nfs/dbraw/zinc/21/69/83/1073216983.db2.gz NCDWOCGTHBABEO-RIWOBZSASA-N 1 0 425.551 -0.232 20 0 IBADRO [NH3+]C12CCC(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)(CC1)C2 ZINC001159458319 1073216917 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CC1(C)C[NH2+][C@@](C)(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001159458912 1073217216 /nfs/dbraw/zinc/21/72/16/1073217216.db2.gz RPVLAUJDEFNHRY-QCBUCWTNSA-N 1 0 427.567 -0.115 20 0 IBADRO CC1(C)C[NH2+][C@](C)(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001159458913 1073217370 /nfs/dbraw/zinc/21/73/70/1073217370.db2.gz RPVLAUJDEFNHRY-ROYATCLZSA-N 1 0 427.567 -0.115 20 0 IBADRO C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458958 1073217202 /nfs/dbraw/zinc/21/72/02/1073217202.db2.gz SGDVOUGXMMJPME-WRQOLXDDSA-N 1 0 445.582 -0.362 20 0 IBADRO C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458959 1073217319 /nfs/dbraw/zinc/21/73/19/1073217319.db2.gz SGDVOUGXMMJPME-ZHCJQAHYSA-N 1 0 445.582 -0.362 20 0 IBADRO O=C(c1cncc2c1CC[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458984 1073217228 /nfs/dbraw/zinc/21/72/28/1073217228.db2.gz SOSCGNXPPZDSKJ-BHIYHBOVSA-N 1 0 448.545 -0.539 20 0 IBADRO O=C(c1cncc2c1CC[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458985 1073217347 /nfs/dbraw/zinc/21/73/47/1073217347.db2.gz SOSCGNXPPZDSKJ-QXAKKESOSA-N 1 0 448.545 -0.539 20 0 IBADRO [NH3+]C1CC2(C1)CC(C(=O)N1C[C@H]3[C@@H](C1)S(=O)(=O)CC[C@H]3C(=O)N1CCOCC1)C2 ZINC001159459038 1073217158 /nfs/dbraw/zinc/21/71/58/1073217158.db2.gz UFBLXCXJLNMFCO-HGTLIPBISA-N 1 0 425.551 -0.376 20 0 IBADRO [NH3+]C1CC2(C1)CC(C(=O)N1C[C@H]3[C@@H](C1)S(=O)(=O)CC[C@@H]3C(=O)N1CCOCC1)C2 ZINC001159459039 1073217166 /nfs/dbraw/zinc/21/71/66/1073217166.db2.gz UFBLXCXJLNMFCO-IGQNVKQNSA-N 1 0 425.551 -0.376 20 0 IBADRO [NH3+]CC1CCC(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1 ZINC001159459108 1073217816 /nfs/dbraw/zinc/21/78/16/1073217816.db2.gz VPRXVLOBQGITGL-NHHFINERSA-N 1 0 427.567 -0.128 20 0 IBADRO [NH3+]CC1CCC(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1 ZINC001159459109 1073217650 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[NH3+]C[C@H](Cc1ccccc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459371 1073218218 /nfs/dbraw/zinc/21/82/18/1073218218.db2.gz YWHYDUMFNGIAFZ-VNTMZGSJSA-N 1 0 449.573 -0.076 20 0 IBADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001159462993 1073217974 /nfs/dbraw/zinc/21/79/74/1073217974.db2.gz NQJCWDBYPXZRSB-GOSISDBHSA-N 1 0 426.543 -0.928 20 0 IBADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001159462994 1073217983 /nfs/dbraw/zinc/21/79/83/1073217983.db2.gz NQJCWDBYPXZRSB-SFHVURJKSA-N 1 0 426.543 -0.928 20 0 IBADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C1 ZINC001159463337 1073218107 /nfs/dbraw/zinc/21/81/07/1073218107.db2.gz SWPKNJZDDQFYLA-HRAATJIYSA-N 1 0 428.537 -0.033 20 0 IBADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C1 ZINC001159463340 1073218179 /nfs/dbraw/zinc/21/81/79/1073218179.db2.gz SWPKNJZDDQFYLA-IERDGZPVSA-N 1 0 428.537 -0.033 20 0 IBADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C1 ZINC001159463343 1073218097 /nfs/dbraw/zinc/21/80/97/1073218097.db2.gz SWPKNJZDDQFYLA-IIBYNOLFSA-N 1 0 428.537 -0.033 20 0 IBADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C1 ZINC001159463344 1073218013 /nfs/dbraw/zinc/21/80/13/1073218013.db2.gz SWPKNJZDDQFYLA-KKSFZXQISA-N 1 0 428.537 -0.033 20 0 IBADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)Cn1cnc3c1nc(N)[nH]c3=O)CCC2 ZINC001159481244 1073218067 /nfs/dbraw/zinc/21/80/67/1073218067.db2.gz KONVQHZHEXQMAI-UHFFFAOYSA-N 1 0 441.496 -0.057 20 0 IBADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3ccc(C(N)=O)cc3)C2)C1=O ZINC001159490860 1073218667 /nfs/dbraw/zinc/21/86/67/1073218667.db2.gz AMXGMEVQLWRSGF-HTAPYJJXSA-N 1 0 429.521 -0.415 20 0 IBADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3ccc(C(N)=O)cc3)C2)C1=O ZINC001159490863 1073218720 /nfs/dbraw/zinc/21/87/20/1073218720.db2.gz AMXGMEVQLWRSGF-JTSKRJEESA-N 1 0 429.521 -0.415 20 0 IBADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159491324 1073218549 /nfs/dbraw/zinc/21/85/49/1073218549.db2.gz CAJZXNYAXUBAMP-INIZCTEOSA-N 1 0 426.477 -0.590 20 0 IBADRO O=C(c1n[nH]c2c1CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2)N1CCOCC1 ZINC001159491497 1073218705 /nfs/dbraw/zinc/21/87/05/1073218705.db2.gz DDONWVMWEXXHMW-AWEZNQCLSA-N 1 0 437.522 -0.861 20 0 IBADRO O=C(c1n[nH]c2c1CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2)N1CCOCC1 ZINC001159491500 1073218468 /nfs/dbraw/zinc/21/84/68/1073218468.db2.gz DDONWVMWEXXHMW-CQSZACIVSA-N 1 0 437.522 -0.861 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)COC1(C)C ZINC001159491675 1073218576 /nfs/dbraw/zinc/21/85/76/1073218576.db2.gz FZPQZGNMFRXJJQ-UXLLHSPISA-N 1 0 432.525 -0.225 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)COC1(C)C ZINC001159491676 1073218688 /nfs/dbraw/zinc/21/86/88/1073218688.db2.gz FZPQZGNMFRXJJQ-ZOBUZTSGSA-N 1 0 432.525 -0.225 20 0 IBADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC001159491695 1073218677 /nfs/dbraw/zinc/21/86/77/1073218677.db2.gz GJODHLMHOAQGJF-HOIFWPIMSA-N 1 0 433.553 -0.341 20 0 IBADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC001159491696 1073218732 /nfs/dbraw/zinc/21/87/32/1073218732.db2.gz GJODHLMHOAQGJF-PNLZDCPESA-N 1 0 433.553 -0.341 20 0 IBADRO O=C([C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159491743 1073218443 /nfs/dbraw/zinc/21/84/43/1073218443.db2.gz DLJRANMLPQYKJG-IVZQSRNASA-N 1 0 436.472 -0.166 20 0 IBADRO O=C([C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159491746 1073219095 /nfs/dbraw/zinc/21/90/95/1073219095.db2.gz DLJRANMLPQYKJG-NYHFZMIOSA-N 1 0 436.472 -0.166 20 0 IBADRO O=C([C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159491749 1073219072 /nfs/dbraw/zinc/21/90/72/1073219072.db2.gz DLJRANMLPQYKJG-OYHNWAKOSA-N 1 0 436.472 -0.166 20 0 IBADRO O=C([C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159491752 1073219062 /nfs/dbraw/zinc/21/90/62/1073219062.db2.gz DLJRANMLPQYKJG-QRQCRPRQSA-N 1 0 436.472 -0.166 20 0 IBADRO O=C([C@@H]1Cn2nccc2CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1)N1CCCC1 ZINC001159491827 1073219104 /nfs/dbraw/zinc/21/91/04/1073219104.db2.gz FFQSFJKQKYJAEQ-DOTOQJQBSA-N 1 0 439.524 -0.598 20 0 IBADRO O=C([C@H]1Cn2nccc2CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1)N1CCCC1 ZINC001159491828 1073219047 /nfs/dbraw/zinc/21/90/47/1073219047.db2.gz FFQSFJKQKYJAEQ-NVXWUHKLSA-N 1 0 439.524 -0.598 20 0 IBADRO O=C([C@@H]1Cn2nccc2CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1)N1CCCC1 ZINC001159491829 1073219070 /nfs/dbraw/zinc/21/90/70/1073219070.db2.gz FFQSFJKQKYJAEQ-RDJZCZTQSA-N 1 0 439.524 -0.598 20 0 IBADRO O=C([C@H]1Cn2nccc2CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1)N1CCCC1 ZINC001159491830 1073219068 /nfs/dbraw/zinc/21/90/68/1073219068.db2.gz FFQSFJKQKYJAEQ-WBVHZDCISA-N 1 0 439.524 -0.598 20 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436.472 -0.163 20 0 IBADRO O=C(c1n[nH]c2c1CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@@H]1NC3=O)C2)N1CCOCC1 ZINC001159492436 1073219088 /nfs/dbraw/zinc/21/90/88/1073219088.db2.gz JLICBRYWRJFISV-RDJZCZTQSA-N 1 0 436.472 -0.163 20 0 IBADRO O=C(c1n[nH]c2c1CN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@@H]1NC3=O)C2)N1CCOCC1 ZINC001159492437 1073218914 /nfs/dbraw/zinc/21/89/14/1073218914.db2.gz JLICBRYWRJFISV-WBVHZDCISA-N 1 0 436.472 -0.163 20 0 IBADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])C2)C1=O ZINC001159492710 1073219107 /nfs/dbraw/zinc/21/91/07/1073219107.db2.gz NBGRUCVZJWRDEX-FDDCHVKYSA-N 1 0 443.548 -0.398 20 0 IBADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])C2)C1=O ZINC001159492712 1073219054 /nfs/dbraw/zinc/21/90/54/1073219054.db2.gz NBGRUCVZJWRDEX-MBSDFSHPSA-N 1 0 443.548 -0.398 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159492808 1073218999 /nfs/dbraw/zinc/21/89/99/1073218999.db2.gz NNEJDWQABGFVAD-RDJZCZTQSA-N 1 0 434.541 -0.278 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159492810 1073219113 /nfs/dbraw/zinc/21/91/13/1073219113.db2.gz NNEJDWQABGFVAD-WBVHZDCISA-N 1 0 434.541 -0.278 20 0 IBADRO O=C([C@H]1Cn2nccc2CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1)N1CCCC1 ZINC001159492898 1073219043 /nfs/dbraw/zinc/21/90/43/1073219043.db2.gz KYCLOSPXSRLSGY-AEFFLSMTSA-N 1 0 449.577 -0.122 20 0 IBADRO O=C([C@@H]1Cn2nccc2CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1)N1CCCC1 ZINC001159492899 1073218990 /nfs/dbraw/zinc/21/89/90/1073218990.db2.gz KYCLOSPXSRLSGY-FUHWJXTLSA-N 1 0 449.577 -0.122 20 0 IBADRO O=C([C@H]1Cn2nccc2CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1)N1CCCC1 ZINC001159492900 1073219590 /nfs/dbraw/zinc/21/95/90/1073219590.db2.gz KYCLOSPXSRLSGY-SJLPKXTDSA-N 1 0 449.577 -0.122 20 0 IBADRO O=C([C@@H]1Cn2nccc2CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1)N1CCCC1 ZINC001159492901 1073219593 /nfs/dbraw/zinc/21/95/93/1073219593.db2.gz KYCLOSPXSRLSGY-WMZOPIPTSA-N 1 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444.598 -0.641 20 0 IBADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)c3cnc(N4CC[NH2+]CC4)cn3)C2)C1=O ZINC001159507282 1073220078 /nfs/dbraw/zinc/22/00/78/1073220078.db2.gz LLNKWKRFUFBGII-NRFANRHFSA-N 1 0 429.525 -0.571 20 0 IBADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)c3cnc(N4CC[NH2+]CC4)cn3)C2)C1=O ZINC001159507284 1073219970 /nfs/dbraw/zinc/21/99/70/1073219970.db2.gz LLNKWKRFUFBGII-OAQYLSRUSA-N 1 0 429.525 -0.571 20 0 IBADRO CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1=O ZINC001159508207 1073219982 /nfs/dbraw/zinc/21/99/82/1073219982.db2.gz VBHROEUPDOEVPP-BTYIYWSLSA-N 1 0 439.557 -0.826 20 0 IBADRO CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1=O ZINC001159508208 1073219920 /nfs/dbraw/zinc/21/99/20/1073219920.db2.gz VBHROEUPDOEVPP-YCRPNKLZSA-N 1 0 439.557 -0.826 20 0 IBADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514339 1073219942 /nfs/dbraw/zinc/21/99/42/1073219942.db2.gz BYTYLYKYDGNTMG-HNNXBMFYSA-N 1 0 433.538 -0.330 20 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Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)COCCOCC[NH3+])C2 ZINC001159528826 1073220957 /nfs/dbraw/zinc/22/09/57/1073220957.db2.gz HTSIUCKYSTURNI-KRWDZBQOSA-N 1 0 425.530 -0.813 20 0 IBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)COCCOCC[NH3+])C2 ZINC001159528829 1073221060 /nfs/dbraw/zinc/22/10/60/1073221060.db2.gz HTSIUCKYSTURNI-QGZVFWFLSA-N 1 0 425.530 -0.813 20 0 IBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)c1n[nH]c3c1CC[NH2+]C3)C2 ZINC001159529482 1073220972 /nfs/dbraw/zinc/22/09/72/1073220972.db2.gz KVGXZGNDUNBRIR-HNNXBMFYSA-N 1 0 429.525 -0.123 20 0 IBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)c1n[nH]c3c1CC[NH2+]C3)C2 ZINC001159529483 1073221131 /nfs/dbraw/zinc/22/11/31/1073221131.db2.gz KVGXZGNDUNBRIR-OAHLLOKOSA-N 1 0 429.525 -0.123 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1 ZINC001159529744 1073221036 /nfs/dbraw/zinc/22/10/36/1073221036.db2.gz LNYFYSSGVMEIHJ-JENIJYKNSA-N 1 0 435.525 -0.654 20 0 IBADRO 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Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)C1=NO[C@]3(CC[NH2+]C3)C1)C2 ZINC001159529818 1073221126 /nfs/dbraw/zinc/22/11/26/1073221126.db2.gz MIEXAICBEFPRCP-HRAATJIYSA-N 1 0 432.525 -0.297 20 0 IBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)C1=NO[C@@]3(CC[NH2+]C3)C1)C2 ZINC001159529821 1073221140 /nfs/dbraw/zinc/22/11/40/1073221140.db2.gz MIEXAICBEFPRCP-IERDGZPVSA-N 1 0 432.525 -0.297 20 0 IBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)C1=NO[C@]3(CC[NH2+]C3)C1)C2 ZINC001159529823 1073221110 /nfs/dbraw/zinc/22/11/10/1073221110.db2.gz MIEXAICBEFPRCP-IIBYNOLFSA-N 1 0 432.525 -0.297 20 0 IBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)C1=NO[C@@]3(CC[NH2+]C3)C1)C2 ZINC001159529825 1073221089 /nfs/dbraw/zinc/22/10/89/1073221089.db2.gz MIEXAICBEFPRCP-KKSFZXQISA-N 1 0 432.525 -0.297 20 0 IBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001159529855 1073221017 /nfs/dbraw/zinc/22/10/17/1073221017.db2.gz MQNZADALHKCIGY-HDBFXVAESA-N 1 0 427.571 -0.709 20 0 IBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001159529856 1073221369 /nfs/dbraw/zinc/22/13/69/1073221369.db2.gz MQNZADALHKCIGY-LXLLPEIISA-N 1 0 427.571 -0.709 20 0 IBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C2 ZINC001159529857 1073221440 /nfs/dbraw/zinc/22/14/40/1073221440.db2.gz MQNZADALHKCIGY-YPOBSOSXSA-N 1 0 427.571 -0.709 20 0 IBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C2 ZINC001159529858 1073221496 /nfs/dbraw/zinc/22/14/96/1073221496.db2.gz MQNZADALHKCIGY-ZSIWHHEXSA-N 1 0 427.571 -0.709 20 0 IBADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1 ZINC001159529990 1073221582 /nfs/dbraw/zinc/22/15/82/1073221582.db2.gz MVDFNEFZXVFMLK-KZNAEPCWSA-N 1 0 449.552 -0.407 20 0 IBADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1 ZINC001159529991 1073221635 /nfs/dbraw/zinc/22/16/35/1073221635.db2.gz MVDFNEFZXVFMLK-RCCFBDPRSA-N 1 0 449.552 -0.407 20 0 IBADRO 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/nfs/dbraw/zinc/22/46/84/1073224684.db2.gz AJLPXGBHOOEJKK-UWVAXJGDSA-N 1 0 436.534 -0.137 20 0 IBADRO O=C(c1n[nH]c2c1C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159598789 1073224595 /nfs/dbraw/zinc/22/45/95/1073224595.db2.gz FEEKGOUBWZMGLA-AZOIQLNYSA-N 1 0 430.490 -0.394 20 0 IBADRO O=C(c1n[nH]c2c1CC[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159598797 1073224697 /nfs/dbraw/zinc/22/46/97/1073224697.db2.gz FNPLIEPHTXJASE-LIVBEALHSA-N 1 0 444.517 -0.352 20 0 IBADRO NC(=[NH2+])NCCCCC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159598922 1073225135 /nfs/dbraw/zinc/22/51/35/1073225135.db2.gz GJHHAPGHXAUYPH-GJYPPUQNSA-N 1 0 436.538 -0.381 20 0 IBADRO O=C(c1ncn2c1C[NH2+]CC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159599234 1073225188 /nfs/dbraw/zinc/22/51/88/1073225188.db2.gz JOKRBTSHUNINRN-SYNHAJSKSA-N 1 0 444.517 -0.421 20 0 IBADRO C[NH2+][C@@H]1CCCN(CC(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)C1 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O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159599846 1073225127 /nfs/dbraw/zinc/22/51/27/1073225127.db2.gz PKISKJKCMSPBST-UEWJFYJWSA-N 1 0 448.545 -0.410 20 0 IBADRO O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@H]21)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159599847 1073225153 /nfs/dbraw/zinc/22/51/53/1073225153.db2.gz PKISKJKCMSPBST-ZAKYHFOQSA-N 1 0 448.545 -0.410 20 0 IBADRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600110 1073225103 /nfs/dbraw/zinc/22/51/03/1073225103.db2.gz QQARLADQVPGWEI-ANGHPWRRSA-N 1 0 442.563 -0.939 20 0 IBADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600113 1073225177 /nfs/dbraw/zinc/22/51/77/1073225177.db2.gz QQARLADQVPGWEI-RZMRMHQQSA-N 1 0 442.563 -0.939 20 0 IBADRO CN(CC(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@@H]1CCC[NH2+]C1 ZINC001159600605 1073225466 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LIXSAIULAFNHSL-INIZCTEOSA-N 1 0 432.573 -0.818 20 0 IBADRO CCn1nnc2c1[C@H](C(=O)N1CCC3(CC1)C(=O)N(CC[NH+](C)C)CCN3C)CNC2 ZINC001159609082 1073225988 /nfs/dbraw/zinc/22/59/88/1073225988.db2.gz LIXSAIULAFNHSL-MRXNPFEDSA-N 1 0 432.573 -0.818 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2[nH]nc(C(=O)N3CCC[C@@H]3C)c2C1)C(N)=O ZINC001159609450 1073226466 /nfs/dbraw/zinc/22/64/66/1073226466.db2.gz MSOZOTOLOZFQHA-SLEUVZQESA-N 1 0 433.513 -0.984 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2[nH]nc(C(=O)N3CCC[C@H]3C)c2C1)C(N)=O ZINC001159609451 1073226369 /nfs/dbraw/zinc/22/63/69/1073226369.db2.gz MSOZOTOLOZFQHA-TYNCELHUSA-N 1 0 433.513 -0.984 20 0 IBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001159610181 1073226460 /nfs/dbraw/zinc/22/64/60/1073226460.db2.gz MPVSEINRNPNNOP-LVCYWYKZSA-N 1 0 434.562 -0.026 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159610549 1073226437 /nfs/dbraw/zinc/22/64/37/1073226437.db2.gz PTSZLNVKQCMECX-ROUUACIJSA-N 1 0 438.617 -0.439 20 0 IBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1 ZINC001159610775 1073226276 /nfs/dbraw/zinc/22/62/76/1073226276.db2.gz SZPBWLVHYRJQIN-YLJYHZDGSA-N 1 0 438.550 -0.959 20 0 IBADRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1)CC2 ZINC001159610890 1073226419 /nfs/dbraw/zinc/22/64/19/1073226419.db2.gz UHDQHCDFZGTYOV-IBGZPJMESA-N 1 0 444.580 -0.648 20 0 IBADRO O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001159611361 1073226393 /nfs/dbraw/zinc/22/63/93/1073226393.db2.gz ZVHPJPBADIFMIC-DBXWQHBBSA-N 1 0 447.557 -0.403 20 0 IBADRO O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)C2 ZINC001159611362 1073226302 /nfs/dbraw/zinc/22/63/02/1073226302.db2.gz ZVHPJPBADIFMIC-LVCYWYKZSA-N 1 0 447.557 -0.403 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C1=NO[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC001159621434 1073226845 /nfs/dbraw/zinc/22/68/45/1073226845.db2.gz BQVHFDMSOAJCES-CWRNSKLLSA-N 1 0 426.539 -0.218 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C1=NO[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC001159621435 1073226818 /nfs/dbraw/zinc/22/68/18/1073226818.db2.gz BQVHFDMSOAJCES-VNQPRFMTSA-N 1 0 426.539 -0.218 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001159622292 1073226894 /nfs/dbraw/zinc/22/68/94/1073226894.db2.gz HOGVNPPCWVNGGS-DOTOQJQBSA-N 1 0 442.582 -0.862 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001159622293 1073226740 /nfs/dbraw/zinc/22/67/40/1073226740.db2.gz HOGVNPPCWVNGGS-NVXWUHKLSA-N 1 0 442.582 -0.862 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001159622294 1073226800 /nfs/dbraw/zinc/22/68/00/1073226800.db2.gz HOGVNPPCWVNGGS-RDJZCZTQSA-N 1 0 442.582 -0.862 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CC2 ZINC001159622295 1073226904 /nfs/dbraw/zinc/22/69/04/1073226904.db2.gz HOGVNPPCWVNGGS-WBVHZDCISA-N 1 0 442.582 -0.862 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001159622356 1073226852 /nfs/dbraw/zinc/22/68/52/1073226852.db2.gz IJBRHXGFDVFBPN-CSUULGGQSA-N 1 0 435.612 -0.096 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001159622360 1073226837 /nfs/dbraw/zinc/22/68/37/1073226837.db2.gz IJBRHXGFDVFBPN-HDUXBVKDSA-N 1 0 435.612 -0.096 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001159622362 1073226786 /nfs/dbraw/zinc/22/67/86/1073226786.db2.gz IJBRHXGFDVFBPN-JOYGVZFFSA-N 1 0 435.612 -0.096 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001159622364 1073226825 /nfs/dbraw/zinc/22/68/25/1073226825.db2.gz IJBRHXGFDVFBPN-WBQUBVHPSA-N 1 0 435.612 -0.096 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1OC(C)=O)CC2 ZINC001159622625 1073226923 /nfs/dbraw/zinc/22/69/23/1073226923.db2.gz KXVXVDMTEUDVLS-CGTJXYLNSA-N 1 0 443.566 -0.041 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1OC(C)=O)CC2 ZINC001159622626 1073226926 /nfs/dbraw/zinc/22/69/26/1073226926.db2.gz KXVXVDMTEUDVLS-JQHSSLGASA-N 1 0 443.566 -0.041 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]1C[NH2+]C[C@H]1OC(C)=O)CC2 ZINC001159622627 1073226931 /nfs/dbraw/zinc/22/69/31/1073226931.db2.gz KXVXVDMTEUDVLS-RYQLBKOJSA-N 1 0 443.566 -0.041 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1OC(C)=O)CC2 ZINC001159622628 1073226812 /nfs/dbraw/zinc/22/68/12/1073226812.db2.gz KXVXVDMTEUDVLS-SZMVWBNQSA-N 1 0 443.566 -0.041 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001159622643 1073226860 /nfs/dbraw/zinc/22/68/60/1073226860.db2.gz LJNDOTUSPXOOEK-RDJZCZTQSA-N 1 0 442.582 -0.242 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001159622644 1073227275 /nfs/dbraw/zinc/22/72/75/1073227275.db2.gz LJNDOTUSPXOOEK-WBVHZDCISA-N 1 0 442.582 -0.242 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001159622661 1073227135 /nfs/dbraw/zinc/22/71/35/1073227135.db2.gz LVWCPNQCYFVJCJ-RDJZCZTQSA-N 1 0 442.582 -0.324 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001159622662 1073227328 /nfs/dbraw/zinc/22/73/28/1073227328.db2.gz LVWCPNQCYFVJCJ-WBVHZDCISA-N 1 0 442.582 -0.324 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001159622852 1073227186 /nfs/dbraw/zinc/22/71/86/1073227186.db2.gz NJKLJDFDDGSWQN-GDBMZVCRSA-N 1 0 445.586 -0.416 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC2 ZINC001159622853 1073227334 /nfs/dbraw/zinc/22/73/34/1073227334.db2.gz NJKLJDFDDGSWQN-GOEBONIOSA-N 1 0 445.586 -0.416 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2 ZINC001159622854 1073227153 /nfs/dbraw/zinc/22/71/53/1073227153.db2.gz NJKLJDFDDGSWQN-HOCLYGCPSA-N 1 0 445.586 -0.416 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC2 ZINC001159622855 1073227214 /nfs/dbraw/zinc/22/72/14/1073227214.db2.gz NJKLJDFDDGSWQN-ZBFHGGJFSA-N 1 0 445.586 -0.416 20 0 IBADRO CCOC(=O)C1(C(=O)N2CCC3(C[C@@H](COC)N(S(=O)(=O)C4CC4)C3)CC2)C[NH2+]C1 ZINC001159622947 1073227112 /nfs/dbraw/zinc/22/71/12/1073227112.db2.gz PFFIXFUGSNBKKS-HNNXBMFYSA-N 1 0 443.566 -0.039 20 0 IBADRO CCOC(=O)C1(C(=O)N2CCC3(C[C@H](COC)N(S(=O)(=O)C4CC4)C3)CC2)C[NH2+]C1 ZINC001159622948 1073227143 /nfs/dbraw/zinc/22/71/43/1073227143.db2.gz PFFIXFUGSNBKKS-OAHLLOKOSA-N 1 0 443.566 -0.039 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C[C@@H]([NH3+])CCC(N)=O)CC2 ZINC001159622962 1073227195 /nfs/dbraw/zinc/22/71/95/1073227195.db2.gz PKKZUNVZYGASSL-GJZGRUSLSA-N 1 0 430.571 -0.209 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C[C@@H]([NH3+])CCC(N)=O)CC2 ZINC001159622963 1073227126 /nfs/dbraw/zinc/22/71/26/1073227126.db2.gz PKKZUNVZYGASSL-LSDHHAIUSA-N 1 0 430.571 -0.209 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001159623164 1073227168 /nfs/dbraw/zinc/22/71/68/1073227168.db2.gz RWNMELYLYVADRK-FTRWYGJKSA-N 1 0 426.583 -0.240 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001159623165 1073227252 /nfs/dbraw/zinc/22/72/52/1073227252.db2.gz RWNMELYLYVADRK-GQIGUUNPSA-N 1 0 426.583 -0.240 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001159623166 1073227343 /nfs/dbraw/zinc/22/73/43/1073227343.db2.gz RWNMELYLYVADRK-GUXCAODWSA-N 1 0 426.583 -0.240 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001159623167 1073227266 /nfs/dbraw/zinc/22/72/66/1073227266.db2.gz RWNMELYLYVADRK-TWOQFEAHSA-N 1 0 426.583 -0.240 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)COCCOCC[NH3+])CC2 ZINC001159623531 1073227817 /nfs/dbraw/zinc/22/78/17/1073227817.db2.gz UMSFPWWQZJHEGP-INIZCTEOSA-N 1 0 433.571 -0.200 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)COCCOCC[NH3+])CC2 ZINC001159623533 1073227591 /nfs/dbraw/zinc/22/75/91/1073227591.db2.gz UMSFPWWQZJHEGP-MRXNPFEDSA-N 1 0 433.571 -0.200 20 0 IBADRO COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])CC2 ZINC001159623542 1073227766 /nfs/dbraw/zinc/22/77/66/1073227766.db2.gz UROYNJXLZUCURD-KKUMJFAQSA-N 1 0 430.571 -0.340 20 0 IBADRO COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])CC2 ZINC001159623543 1073227785 /nfs/dbraw/zinc/22/77/85/1073227785.db2.gz UROYNJXLZUCURD-SOUVJXGZSA-N 1 0 430.571 -0.340 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623743 1073227760 /nfs/dbraw/zinc/22/77/60/1073227760.db2.gz GCRSIQDGPFPGGE-ZJIFWQFVSA-N 1 0 426.514 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LTMXSDMDLUQXTQ-ZJIFWQFVSA-N 1 0 431.497 -0.764 20 0 IBADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159625126 1073227711 /nfs/dbraw/zinc/22/77/11/1073227711.db2.gz RHKUEHQFAOUZER-WJFTUGDTSA-N 1 0 430.505 -0.015 20 0 IBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159625291 1073227774 /nfs/dbraw/zinc/22/77/74/1073227774.db2.gz SEWIOLZHILRLGW-DZOHQFGASA-N 1 0 446.508 -0.374 20 0 IBADRO O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159632860 1073227686 /nfs/dbraw/zinc/22/76/86/1073227686.db2.gz BLNFRIPYAXKXSP-UHFFFAOYSA-N 1 0 435.492 -0.266 20 0 IBADRO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)cc1 ZINC001159633112 1073227661 /nfs/dbraw/zinc/22/76/61/1073227661.db2.gz FKFXEGQBPLBCPM-SFHVURJKSA-N 1 0 435.488 -0.111 20 0 IBADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633169 1073227601 /nfs/dbraw/zinc/22/76/01/1073227601.db2.gz HNAUHKWDEZUEQZ-IBGZPJMESA-N 1 0 449.515 -0.093 20 0 IBADRO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633361 1073227702 /nfs/dbraw/zinc/22/77/02/1073227702.db2.gz KCHWMLJPNDCEOI-ROUUACIJSA-N 1 0 439.520 -0.037 20 0 IBADRO O=C([C@@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159634279 1073227642 /nfs/dbraw/zinc/22/76/42/1073227642.db2.gz ALIHJVMYXDKAIV-KRWDZBQOSA-N 1 0 449.519 -0.237 20 0 IBADRO O=C([C@H]1Cn2cnnc2C12CC[NH2+]CC2)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159634280 1073227752 /nfs/dbraw/zinc/22/77/52/1073227752.db2.gz ALIHJVMYXDKAIV-QGZVFWFLSA-N 1 0 449.519 -0.237 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)COC1(C)C ZINC001159634331 1073227799 /nfs/dbraw/zinc/22/77/99/1073227799.db2.gz XHFKXCJBMNSDKC-HOCLYGCPSA-N 1 0 443.508 -0.469 20 0 IBADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159634421 1073228288 /nfs/dbraw/zinc/22/82/88/1073228288.db2.gz YMFQBDHFJAEIIK-IBGZPJMESA-N 1 0 449.515 -0.093 20 0 IBADRO O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159636633 1073228125 /nfs/dbraw/zinc/22/81/25/1073228125.db2.gz VXQULZMQDCFLGI-INIZCTEOSA-N 1 0 425.493 -0.664 20 0 IBADRO O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159636634 1073228210 /nfs/dbraw/zinc/22/82/10/1073228210.db2.gz VXQULZMQDCFLGI-MRXNPFEDSA-N 1 0 425.493 -0.664 20 0 IBADRO COC[C@@]12CCCO[C@H]1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001159637565 1073228251 /nfs/dbraw/zinc/22/82/51/1073228251.db2.gz ZQAAUYOOZMMHMH-OZIGNCPNSA-N 1 0 435.521 -0.217 20 0 IBADRO COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001159637566 1073228106 /nfs/dbraw/zinc/22/81/06/1073228106.db2.gz ZQAAUYOOZMMHMH-PSHVLCQKSA-N 1 0 435.521 -0.217 20 0 IBADRO COC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001159637567 1073228190 /nfs/dbraw/zinc/22/81/90/1073228190.db2.gz ZQAAUYOOZMMHMH-VWNVYAMZSA-N 1 0 435.521 -0.217 20 0 IBADRO COC[C@]12CCCO[C@H]1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001159637568 1073228200 /nfs/dbraw/zinc/22/82/00/1073228200.db2.gz ZQAAUYOOZMMHMH-ZVVDCOBXSA-N 1 0 435.521 -0.217 20 0 IBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159642347 1073228083 /nfs/dbraw/zinc/22/80/83/1073228083.db2.gz DGYCRQSFRWNUIR-FXAWDEMLSA-N 1 0 448.549 -0.598 20 0 IBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159642350 1073228276 /nfs/dbraw/zinc/22/82/76/1073228276.db2.gz DGYCRQSFRWNUIR-PXNSSMCTSA-N 1 0 448.549 -0.598 20 0 IBADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159642682 1073228724 /nfs/dbraw/zinc/22/87/24/1073228724.db2.gz GEWNFSRLXCCNKB-KRWDZBQOSA-N 1 0 432.550 -0.073 20 0 IBADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159642686 1073228726 /nfs/dbraw/zinc/22/87/26/1073228726.db2.gz GEWNFSRLXCCNKB-QGZVFWFLSA-N 1 0 432.550 -0.073 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C2 ZINC001159642839 1073228628 /nfs/dbraw/zinc/22/86/28/1073228628.db2.gz HMZVCNLUXLCMJU-GHTZIAJQSA-N 1 0 425.493 -0.449 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C2 ZINC001159642841 1073228676 /nfs/dbraw/zinc/22/86/76/1073228676.db2.gz HMZVCNLUXLCMJU-RXVVDRJESA-N 1 0 425.493 -0.449 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[NH2+]Cc3ccnn3C1)C2 ZINC001159642843 1073228715 /nfs/dbraw/zinc/22/87/15/1073228715.db2.gz HONCEXSBQLTWKU-HTAPYJJXSA-N 1 0 437.504 -0.136 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]Cc3ccnn3C1)C2 ZINC001159642845 1073228590 /nfs/dbraw/zinc/22/85/90/1073228590.db2.gz HONCEXSBQLTWKU-JTSKRJEESA-N 1 0 437.504 -0.136 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[NH2+]Cc3ccnn3C1)C2 ZINC001159642848 1073228693 /nfs/dbraw/zinc/22/86/93/1073228693.db2.gz HONCEXSBQLTWKU-VGOFRKELSA-N 1 0 437.504 -0.136 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[NH2+]Cc3ccnn3C1)C2 ZINC001159642849 1073228580 /nfs/dbraw/zinc/22/85/80/1073228580.db2.gz HONCEXSBQLTWKU-VGSWGCGISA-N 1 0 437.504 -0.136 20 0 IBADRO CCOC(=O)C1(C(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)C[NH2+]C1 ZINC001159643095 1073228720 /nfs/dbraw/zinc/22/87/20/1073228720.db2.gz ISSCSPYEHBCLMP-FQEVSTJZSA-N 1 0 429.477 -0.600 20 0 IBADRO CCOC(=O)C1(C(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)C[NH2+]C1 ZINC001159643099 1073228670 /nfs/dbraw/zinc/22/86/70/1073228670.db2.gz ISSCSPYEHBCLMP-HXUWFJFHSA-N 1 0 429.477 -0.600 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001159643125 1073228685 /nfs/dbraw/zinc/22/86/85/1073228685.db2.gz IXODUYOEXMDTDL-OXQOHEQNSA-N 1 0 431.497 -0.976 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001159643126 1073228661 /nfs/dbraw/zinc/22/86/61/1073228661.db2.gz IXODUYOEXMDTDL-UZLBHIALSA-N 1 0 431.497 -0.976 20 0 IBADRO CN1C[C@H](COCC2CC2)[C@H]2CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC[C@H]2C1=O ZINC001159643386 1073228725 /nfs/dbraw/zinc/22/87/25/1073228725.db2.gz JVAULJGNTGQABC-KZNAEPCWSA-N 1 0 444.598 -0.424 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)C2 ZINC001159643431 1073228698 /nfs/dbraw/zinc/22/86/98/1073228698.db2.gz LCQITQZNEIFWCJ-AVRDEDQJSA-N 1 0 444.536 -0.263 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)C2 ZINC001159643433 1073228616 /nfs/dbraw/zinc/22/86/16/1073228616.db2.gz LCQITQZNEIFWCJ-PGRDOPGGSA-N 1 0 444.536 -0.263 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C1=NO[C@]3(CC[NH2+]C3)C1)C2 ZINC001159643837 1073228930 /nfs/dbraw/zinc/22/89/30/1073228930.db2.gz PQKIZARHVFLDCN-LEWJYISDSA-N 1 0 426.477 -0.244 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C1=NO[C@]3(CC[NH2+]C3)C1)C2 ZINC001159643838 1073228996 /nfs/dbraw/zinc/22/89/96/1073228996.db2.gz PQKIZARHVFLDCN-NHCUHLMSSA-N 1 0 426.477 -0.244 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)C1=NO[C@@]3(CC[NH2+]C3)C1)C2 ZINC001159643839 1073228943 /nfs/dbraw/zinc/22/89/43/1073228943.db2.gz PQKIZARHVFLDCN-RTWAWAEBSA-N 1 0 426.477 -0.244 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)C1=NO[C@@]3(CC[NH2+]C3)C1)C2 ZINC001159643840 1073229056 /nfs/dbraw/zinc/22/90/56/1073229056.db2.gz PQKIZARHVFLDCN-SFTDATJTSA-N 1 0 426.477 -0.244 20 0 IBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159644788 1073229077 /nfs/dbraw/zinc/22/90/77/1073229077.db2.gz VYIXFDIGMKMWIX-KRWDZBQOSA-N 1 0 437.508 -0.160 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C2 ZINC001159652380 1073229035 /nfs/dbraw/zinc/22/90/35/1073229035.db2.gz AYIODXNROMNPJL-LZFQIVBZSA-N 1 0 442.520 -0.414 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C2 ZINC001159652381 1073228872 /nfs/dbraw/zinc/22/88/72/1073228872.db2.gz AYIODXNROMNPJL-VPKVUBIPSA-N 1 0 442.520 -0.414 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C2 ZINC001159652414 1073228911 /nfs/dbraw/zinc/22/89/11/1073228911.db2.gz BWIVUDDWZACDJO-AVRDEDQJSA-N 1 0 444.536 -0.263 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C2 ZINC001159652415 1073229067 /nfs/dbraw/zinc/22/90/67/1073229067.db2.gz BWIVUDDWZACDJO-PGRDOPGGSA-N 1 0 444.536 -0.263 20 0 IBADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159652434 1073228953 /nfs/dbraw/zinc/22/89/53/1073228953.db2.gz CMLGGRDLAHULBC-HMFYCAOWSA-N 1 0 443.504 -0.354 20 0 IBADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159652435 1073229062 /nfs/dbraw/zinc/22/90/62/1073229062.db2.gz CMLGGRDLAHULBC-JBYIUTFZSA-N 1 0 443.504 -0.354 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CN(C)[C@H]1CCC[NH2+]C1)C2 ZINC001159652438 1073229014 /nfs/dbraw/zinc/22/90/14/1073229014.db2.gz CPJWVZQHQQOFLH-AVRDEDQJSA-N 1 0 428.537 -0.068 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CN(C)[C@@H]1CCC[NH2+]C1)C2 ZINC001159652439 1073228898 /nfs/dbraw/zinc/22/88/98/1073228898.db2.gz CPJWVZQHQQOFLH-GCJKJVERSA-N 1 0 428.537 -0.068 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CN(C)[C@H]1CCC[NH2+]C1)C2 ZINC001159652440 1073229028 /nfs/dbraw/zinc/22/90/28/1073229028.db2.gz CPJWVZQHQQOFLH-PGRDOPGGSA-N 1 0 428.537 -0.068 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CN(C)[C@@H]1CCC[NH2+]C1)C2 ZINC001159652441 1073229477 /nfs/dbraw/zinc/22/94/77/1073229477.db2.gz CPJWVZQHQQOFLH-XMSQKQJNSA-N 1 0 428.537 -0.068 20 0 IBADRO CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159652532 1073229434 /nfs/dbraw/zinc/22/94/34/1073229434.db2.gz FEJFUAAXXLQKHE-SIKLNZKXSA-N 1 0 444.536 -0.119 20 0 IBADRO CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159652533 1073229385 /nfs/dbraw/zinc/22/93/85/1073229385.db2.gz FEJFUAAXXLQKHE-UGKGYDQZSA-N 1 0 444.536 -0.119 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001159652620 1073229492 /nfs/dbraw/zinc/22/94/92/1073229492.db2.gz GZSCKLDEZDMZML-LAUBAEHRSA-N 1 0 428.493 -0.803 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C2 ZINC001159652621 1073229459 /nfs/dbraw/zinc/22/94/59/1073229459.db2.gz GZSCKLDEZDMZML-UWJYYQICSA-N 1 0 428.493 -0.803 20 0 IBADRO C[NH2+][C@H]1CCCN(CC(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)C1 ZINC001159652736 1073229441 /nfs/dbraw/zinc/22/94/41/1073229441.db2.gz JAHOGNDAMWNYBG-AVRDEDQJSA-N 1 0 428.537 -0.068 20 0 IBADRO C[NH2+][C@@H]1CCCN(CC(=O)N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)C1 ZINC001159652737 1073229487 /nfs/dbraw/zinc/22/94/87/1073229487.db2.gz JAHOGNDAMWNYBG-GCJKJVERSA-N 1 0 428.537 -0.068 20 0 IBADRO C[NH2+][C@H]1CCCN(CC(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)C1 ZINC001159652738 1073229445 /nfs/dbraw/zinc/22/94/45/1073229445.db2.gz JAHOGNDAMWNYBG-PGRDOPGGSA-N 1 0 428.537 -0.068 20 0 IBADRO C[NH2+][C@@H]1CCCN(CC(=O)N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)C1 ZINC001159652739 1073229407 /nfs/dbraw/zinc/22/94/07/1073229407.db2.gz JAHOGNDAMWNYBG-XMSQKQJNSA-N 1 0 428.537 -0.068 20 0 IBADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159652776 1073229471 /nfs/dbraw/zinc/22/94/71/1073229471.db2.gz KBYCBAACMHTUST-GJULWVSJSA-N 1 0 444.536 -0.263 20 0 IBADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159652777 1073229501 /nfs/dbraw/zinc/22/95/01/1073229501.db2.gz KBYCBAACMHTUST-LVWPNOBMSA-N 1 0 444.536 -0.263 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC001159653060 1073229448 /nfs/dbraw/zinc/22/94/48/1073229448.db2.gz NRRKMEAABNVPBL-LAUBAEHRSA-N 1 0 428.493 -0.884 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C2 ZINC001159653061 1073229483 /nfs/dbraw/zinc/22/94/83/1073229483.db2.gz NRRKMEAABNVPBL-UWJYYQICSA-N 1 0 428.493 -0.884 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]3CCO[C@H]31)C2 ZINC001159653176 1073229396 /nfs/dbraw/zinc/22/93/96/1073229396.db2.gz PTQSHOYZOWEACT-HKBKIPCKSA-N 1 0 427.505 -0.128 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]3CCO[C@@H]31)C2 ZINC001159653177 1073229429 /nfs/dbraw/zinc/22/94/29/1073229429.db2.gz PTQSHOYZOWEACT-PBNJOUANSA-N 1 0 427.505 -0.128 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[NH2+]C[C@H]3CCO[C@H]31)C2 ZINC001159653178 1073229418 /nfs/dbraw/zinc/22/94/18/1073229418.db2.gz PTQSHOYZOWEACT-QWJIHBKKSA-N 1 0 427.505 -0.128 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[NH2+]C[C@H]3CCO[C@@H]31)C2 ZINC001159653179 1073229455 /nfs/dbraw/zinc/22/94/55/1073229455.db2.gz PTQSHOYZOWEACT-UYKQMDHISA-N 1 0 427.505 -0.128 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159653446 1073229451 /nfs/dbraw/zinc/22/94/51/1073229451.db2.gz RKFCDPIPGSMOQD-DBXWQHBBSA-N 1 0 429.477 -0.601 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159653447 1073229424 /nfs/dbraw/zinc/22/94/24/1073229424.db2.gz RKFCDPIPGSMOQD-OPYAIIAOSA-N 1 0 429.477 -0.601 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159653448 1073229374 /nfs/dbraw/zinc/22/93/74/1073229374.db2.gz RKFCDPIPGSMOQD-UEXGIBASSA-N 1 0 429.477 -0.601 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159653449 1073229888 /nfs/dbraw/zinc/22/98/88/1073229888.db2.gz RKFCDPIPGSMOQD-WAOWUJCRSA-N 1 0 429.477 -0.601 20 0 IBADRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159653474 1073229777 /nfs/dbraw/zinc/22/97/77/1073229777.db2.gz SCRCHDJQSPERMI-SIKLNZKXSA-N 1 0 444.536 -0.119 20 0 IBADRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159653475 1073229732 /nfs/dbraw/zinc/22/97/32/1073229732.db2.gz SCRCHDJQSPERMI-UGKGYDQZSA-N 1 0 444.536 -0.119 20 0 IBADRO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159653851 1073229859 /nfs/dbraw/zinc/22/98/59/1073229859.db2.gz FYKWTDBXZWYKAP-ROUUACIJSA-N 1 0 442.520 -0.056 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)c1cnc3n1CC[NH2+]CC3)C2 ZINC001159653936 1073229941 /nfs/dbraw/zinc/22/99/41/1073229941.db2.gz WAYNWSYZAAHFML-JOCHJYFZSA-N 1 0 437.504 -0.096 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)c1cnc3n1CC[NH2+]CC3)C2 ZINC001159653938 1073229740 /nfs/dbraw/zinc/22/97/40/1073229740.db2.gz WAYNWSYZAAHFML-QFIPXVFZSA-N 1 0 437.504 -0.096 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C2 ZINC001159653944 1073229841 /nfs/dbraw/zinc/22/98/41/1073229841.db2.gz WDRKTOXRUDSHEU-AVRDEDQJSA-N 1 0 442.520 -0.412 20 0 IBADRO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C2 ZINC001159653946 1073229929 /nfs/dbraw/zinc/22/99/29/1073229929.db2.gz WDRKTOXRUDSHEU-PGRDOPGGSA-N 1 0 442.520 -0.412 20 0 IBADRO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)cc1 ZINC001159654442 1073229820 /nfs/dbraw/zinc/22/98/20/1073229820.db2.gz MTDZPCCUQCYFOR-SFHVURJKSA-N 1 0 438.488 -0.130 20 0 IBADRO O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159655752 1073229745 /nfs/dbraw/zinc/22/97/45/1073229745.db2.gz ZOWWRMASQRHTHG-INIZCTEOSA-N 1 0 428.493 -0.683 20 0 IBADRO O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159655753 1073229762 /nfs/dbraw/zinc/22/97/62/1073229762.db2.gz ZOWWRMASQRHTHG-MRXNPFEDSA-N 1 0 428.493 -0.683 20 0 IBADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001159663010 1073229787 /nfs/dbraw/zinc/22/97/87/1073229787.db2.gz AICUQWCZOOIJGY-HZPDHXFCSA-N 1 0 428.493 -0.108 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001159663040 1073230397 /nfs/dbraw/zinc/23/03/97/1073230397.db2.gz BXYSORDXXOYCPY-INIZCTEOSA-N 1 0 429.525 -0.017 20 0 IBADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001159663253 1073230187 /nfs/dbraw/zinc/23/01/87/1073230187.db2.gz GTQAQTFJFOYVRF-YOEHRIQHSA-N 1 0 427.509 -0.168 20 0 IBADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)CC2 ZINC001159663535 1073230208 /nfs/dbraw/zinc/23/02/08/1073230208.db2.gz NCELZEGTUHJZFH-INIZCTEOSA-N 1 0 427.509 -0.166 20 0 IBADRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001159663630 1073230447 /nfs/dbraw/zinc/23/04/47/1073230447.db2.gz PSQNIFJNVHLALP-INIZCTEOSA-N 1 0 429.525 -0.017 20 0 IBADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001159663652 1073230408 /nfs/dbraw/zinc/23/04/08/1073230408.db2.gz QTOYLGOLZHUZHO-HNNXBMFYSA-N 1 0 446.533 -0.730 20 0 IBADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001159663653 1073230359 /nfs/dbraw/zinc/23/03/59/1073230359.db2.gz QTOYLGOLZHUZHO-OAHLLOKOSA-N 1 0 446.533 -0.730 20 0 IBADRO O=C(c1ccco1)N1CCO[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)CC[C@@H]2C1 ZINC001159664089 1073230346 /nfs/dbraw/zinc/23/03/46/1073230346.db2.gz WJRJAVYMBWBRAV-BFYDXBDKSA-N 1 0 437.518 -0.254 20 0 IBADRO O=C(c1ccco1)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)CC[C@@H]2C1 ZINC001159664090 1073230298 /nfs/dbraw/zinc/23/02/98/1073230298.db2.gz WJRJAVYMBWBRAV-HLLBOEOZSA-N 1 0 437.518 -0.254 20 0 IBADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001159664092 1073230315 /nfs/dbraw/zinc/23/03/15/1073230315.db2.gz WOBJEWVHCFESTK-LIRRHRJNSA-N 1 0 429.525 -0.017 20 0 IBADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001159664425 1073230227 /nfs/dbraw/zinc/23/02/27/1073230227.db2.gz XIGVWWUXAOOKBZ-INIZCTEOSA-N 1 0 439.520 -0.390 20 0 IBADRO Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001159664431 1073230251 /nfs/dbraw/zinc/23/02/51/1073230251.db2.gz XIGVWWUXAOOKBZ-MRXNPFEDSA-N 1 0 439.520 -0.390 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)COC1(C)C ZINC001159665264 1073230235 /nfs/dbraw/zinc/23/02/35/1073230235.db2.gz IOSLTBBEYGZZKH-HOCLYGCPSA-N 1 0 446.508 -0.488 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001159667953 1073230821 /nfs/dbraw/zinc/23/08/21/1073230821.db2.gz VVYHRUJEPQSTEI-INIZCTEOSA-N 1 0 448.524 -0.540 20 0 IBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001159677310 1073230689 /nfs/dbraw/zinc/23/06/89/1073230689.db2.gz ICZMQCURCZNWHM-GDBMZVCRSA-N 1 0 428.511 -0.811 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1)C(N)=O ZINC001159678001 1073230809 /nfs/dbraw/zinc/23/08/09/1073230809.db2.gz QWQOEPMTLISKMR-KLZNWCGWSA-N 1 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UCEVLUBXLYCINY-FIDHJVLJSA-N 1 0 433.509 -0.436 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21)C(N)=O ZINC001159700701 1073230857 /nfs/dbraw/zinc/23/08/57/1073230857.db2.gz UCEVLUBXLYCINY-JZAWBGDQSA-N 1 0 433.509 -0.436 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21)C(N)=O ZINC001159700702 1073230697 /nfs/dbraw/zinc/23/06/97/1073230697.db2.gz UCEVLUBXLYCINY-MZBWOGCUSA-N 1 0 433.509 -0.436 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21)C(N)=O ZINC001159700703 1073230762 /nfs/dbraw/zinc/23/07/62/1073230762.db2.gz UCEVLUBXLYCINY-ZOFXXKQRSA-N 1 0 433.509 -0.436 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1)C(N)=O ZINC001159700842 1073231115 /nfs/dbraw/zinc/23/11/15/1073231115.db2.gz UHEHLXKKGZRONV-BHYGNILZSA-N 1 0 429.521 -0.394 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1)C(N)=O ZINC001159700844 1073231154 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1073231265 /nfs/dbraw/zinc/23/12/65/1073231265.db2.gz DIHWDIPOBVGDTE-DSLXNQLJSA-N 1 0 432.525 -0.154 20 0 IBADRO CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159709303 1073231329 /nfs/dbraw/zinc/23/13/29/1073231329.db2.gz DIHWDIPOBVGDTE-GDAAHCPNSA-N 1 0 432.525 -0.154 20 0 IBADRO CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159709504 1073231132 /nfs/dbraw/zinc/23/11/32/1073231132.db2.gz DIHWDIPOBVGDTE-QXCFHYIPSA-N 1 0 432.525 -0.154 20 0 IBADRO CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159709505 1073231244 /nfs/dbraw/zinc/23/12/44/1073231244.db2.gz DIHWDIPOBVGDTE-XGXHKWSGSA-N 1 0 432.525 -0.154 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159710293 1073231062 /nfs/dbraw/zinc/23/10/62/1073231062.db2.gz IJDYKPCWJKPZIE-ITQYTPKQSA-N 1 0 432.525 -0.298 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159710294 1073231285 /nfs/dbraw/zinc/23/12/85/1073231285.db2.gz IJDYKPCWJKPZIE-NOCIGQNYSA-N 1 0 432.525 -0.298 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159710296 1073231311 /nfs/dbraw/zinc/23/13/11/1073231311.db2.gz IJDYKPCWJKPZIE-PCODUJHASA-N 1 0 432.525 -0.298 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159710504 1073231295 /nfs/dbraw/zinc/23/12/95/1073231295.db2.gz IJDYKPCWJKPZIE-QSOKESPWSA-N 1 0 432.525 -0.298 20 0 IBADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159710878 1073231170 /nfs/dbraw/zinc/23/11/70/1073231170.db2.gz KBYHEJMCINYXAE-QJESEZNXSA-N 1 0 430.509 -0.449 20 0 IBADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159710879 1073231207 /nfs/dbraw/zinc/23/12/07/1073231207.db2.gz KBYHEJMCINYXAE-VGAPYMQISA-N 1 0 430.509 -0.449 20 0 IBADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159710880 1073231686 /nfs/dbraw/zinc/23/16/86/1073231686.db2.gz KBYHEJMCINYXAE-XGAARHLOSA-N 1 0 430.509 -0.449 20 0 IBADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159710881 1073231695 /nfs/dbraw/zinc/23/16/95/1073231695.db2.gz KBYHEJMCINYXAE-YECZKDOJSA-N 1 0 430.509 -0.449 20 0 IBADRO [NH3+][C@H]1CCCCN(CC(=O)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)C1=O ZINC001159711224 1073231609 /nfs/dbraw/zinc/23/16/09/1073231609.db2.gz MTMWGTSORWUWIG-ITQYTPKQSA-N 1 0 430.509 -0.448 20 0 IBADRO [NH3+][C@H]1CCCCN(CC(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)C1=O ZINC001159711225 1073231637 /nfs/dbraw/zinc/23/16/37/1073231637.db2.gz MTMWGTSORWUWIG-NOCIGQNYSA-N 1 0 430.509 -0.448 20 0 IBADRO [NH3+][C@H]1CCCCN(CC(=O)N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)C1=O ZINC001159711226 1073231726 /nfs/dbraw/zinc/23/17/26/1073231726.db2.gz MTMWGTSORWUWIG-PCODUJHASA-N 1 0 430.509 -0.448 20 0 IBADRO [NH3+][C@H]1CCCCN(CC(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)C1=O ZINC001159711227 1073231769 /nfs/dbraw/zinc/23/17/69/1073231769.db2.gz MTMWGTSORWUWIG-QSOKESPWSA-N 1 0 430.509 -0.448 20 0 IBADRO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2)c1ccnnc1 ZINC001159711501 1073231631 /nfs/dbraw/zinc/23/16/31/1073231631.db2.gz NSNNCQOAJZUNPD-DZJNRPSUSA-N 1 0 442.520 -0.672 20 0 IBADRO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2)c1ccnnc1 ZINC001159711502 1073231579 /nfs/dbraw/zinc/23/15/79/1073231579.db2.gz NSNNCQOAJZUNPD-DZOHQFGASA-N 1 0 442.520 -0.672 20 0 IBADRO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2)c1ccnnc1 ZINC001159711503 1073231658 /nfs/dbraw/zinc/23/16/58/1073231658.db2.gz NSNNCQOAJZUNPD-HPBDAGMYSA-N 1 0 442.520 -0.672 20 0 IBADRO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2)c1ccnnc1 ZINC001159711504 1073231704 /nfs/dbraw/zinc/23/17/04/1073231704.db2.gz 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IBADRO O=C(COC[C@]12COC[C@H]1CN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)C2)N1CCCC1 ZINC001159738534 1073232909 /nfs/dbraw/zinc/23/29/09/1073232909.db2.gz XQGDKEKSKSGLLL-VGSWGCGISA-N 1 0 444.536 -0.386 20 0 IBADRO CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001159740518 1073232925 /nfs/dbraw/zinc/23/29/25/1073232925.db2.gz IMZIIIBWJKXAHD-INIZCTEOSA-N 1 0 438.525 -0.027 20 0 IBADRO CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001159740520 1073232823 /nfs/dbraw/zinc/23/28/23/1073232823.db2.gz IMZIIIBWJKXAHD-MRXNPFEDSA-N 1 0 438.525 -0.027 20 0 IBADRO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159746473 1073232970 /nfs/dbraw/zinc/23/29/70/1073232970.db2.gz NHVYFYYISJKTCG-BRWVUGGUSA-N 1 0 441.467 -0.294 20 0 IBADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159746474 1073232883 /nfs/dbraw/zinc/23/28/83/1073232883.db2.gz NHVYFYYISJKTCG-GVDBMIGSSA-N 1 0 441.467 -0.294 20 0 IBADRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159746656 1073232993 /nfs/dbraw/zinc/23/29/93/1073232993.db2.gz JWQIMRZBHXYJIU-CBGDNZLLSA-N 1 0 439.578 -0.065 20 0 IBADRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159746657 1073232973 /nfs/dbraw/zinc/23/29/73/1073232973.db2.gz JWQIMRZBHXYJIU-CSODHUTKSA-N 1 0 439.578 -0.065 20 0 IBADRO [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159748123 1073232806 /nfs/dbraw/zinc/23/28/06/1073232806.db2.gz ZYURZBQLBBUNKX-PABYOWBDSA-N 1 0 449.596 -0.033 20 0 IBADRO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@H]4C[NH2+]CC45CCS(=O)(=O)CC5)C3)CC2=O)cn1 ZINC001159750919 1073233441 /nfs/dbraw/zinc/23/34/41/1073233441.db2.gz MQAOUXJHTVCQNS-APWZRJJASA-N 1 0 435.550 -0.210 20 0 IBADRO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]4C[NH2+]CC45CCS(=O)(=O)CC5)C3)CC2=O)cn1 ZINC001159750920 1073233470 /nfs/dbraw/zinc/23/34/70/1073233470.db2.gz MQAOUXJHTVCQNS-LPHOPBHVSA-N 1 0 435.550 -0.210 20 0 IBADRO Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]4C[NH2+]CC45CCS(=O)(=O)CC5)C3)CC2=O)cn1 ZINC001159750921 1073233524 /nfs/dbraw/zinc/23/35/24/1073233524.db2.gz MQAOUXJHTVCQNS-QFBILLFUSA-N 1 0 435.550 -0.210 20 0 IBADRO Cn1cc(N2C[C@]3(CCN(C(=O)[C@H]4C[NH2+]CC45CCS(=O)(=O)CC5)C3)CC2=O)cn1 ZINC001159750922 1073233509 /nfs/dbraw/zinc/23/35/09/1073233509.db2.gz MQAOUXJHTVCQNS-VQIMIIECSA-N 1 0 435.550 -0.210 20 0 IBADRO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)CC2=O)cn1 ZINC001159752028 1073233371 /nfs/dbraw/zinc/23/33/71/1073233371.db2.gz USAXJBDYVXUWMK-BEFAXECRSA-N 1 0 425.497 -0.687 20 0 IBADRO Cn1cc(N2C[C@]3(CCN(C(=O)[C@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)CC2=O)cn1 ZINC001159752029 1073233345 /nfs/dbraw/zinc/23/33/45/1073233345.db2.gz USAXJBDYVXUWMK-DNVCBOLYSA-N 1 0 425.497 -0.687 20 0 IBADRO Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)CC2=O)cn1 ZINC001159752030 1073233474 /nfs/dbraw/zinc/23/34/74/1073233474.db2.gz USAXJBDYVXUWMK-HNAYVOBHSA-N 1 0 425.497 -0.687 20 0 IBADRO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]4Cn5nnnc5C45CC[NH2+]CC5)C3)CC2=O)cn1 ZINC001159752031 1073233338 /nfs/dbraw/zinc/23/33/38/1073233338.db2.gz USAXJBDYVXUWMK-KXBFYZLASA-N 1 0 425.497 -0.687 20 0 IBADRO Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c4cnccn4)C3)CC2=O)cn1 ZINC001159752602 1073233515 /nfs/dbraw/zinc/23/35/15/1073233515.db2.gz XBYCEUNGGBPNFL-HRAATJIYSA-N 1 0 440.508 -0.297 20 0 IBADRO Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c4cnccn4)C3)CC2=O)cn1 ZINC001159752603 1073233355 /nfs/dbraw/zinc/23/33/55/1073233355.db2.gz XBYCEUNGGBPNFL-KKSFZXQISA-N 1 0 440.508 -0.297 20 0 IBADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc(C(=O)OC)cc1S(=O)(=O)N1CCOCC1 ZINC001159756187 1073233384 /nfs/dbraw/zinc/23/33/84/1073233384.db2.gz ROUZPXMUGYLMKU-ZIAGYGMSSA-N 1 0 442.494 -0.548 20 0 IBADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@H]21)NCC1CC1 ZINC001159756802 1073233406 /nfs/dbraw/zinc/23/34/06/1073233406.db2.gz FRASSBHHMKVWFQ-BDXSIMOUSA-N 1 0 443.552 -0.439 20 0 IBADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@H]21)NCC1CC1 ZINC001159756804 1073233425 /nfs/dbraw/zinc/23/34/25/1073233425.db2.gz FRASSBHHMKVWFQ-ZJPYXAASSA-N 1 0 443.552 -0.439 20 0 IBADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)Cn4cnc5c4nc(N)[nH]c5=O)C3)O2)CC1 ZINC001159758024 1073233297 /nfs/dbraw/zinc/23/32/97/1073233297.db2.gz MNHXFSIJIBNLDJ-QVKFZJNVSA-N 1 0 444.540 -0.098 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)COC1(C)C ZINC001159763174 1073233974 /nfs/dbraw/zinc/23/39/74/1073233974.db2.gz BOJPWZDKLXMFGB-IASZTOCISA-N 1 0 436.553 -0.066 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159763276 1073233768 /nfs/dbraw/zinc/23/37/68/1073233768.db2.gz CDYGWVVYWBCNAT-BDXSIMOUSA-N 1 0 438.569 -0.118 20 0 IBADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)c3cnc(N4CC[NH2+]CC4)cn3)C[C@H]21)N1CCOCC1 ZINC001159767188 1073233962 /nfs/dbraw/zinc/23/39/62/1073233962.db2.gz CVNCSOFPCCDVMR-KURKYZTESA-N 1 0 444.536 -0.530 20 0 IBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159767250 1073233950 /nfs/dbraw/zinc/23/39/50/1073233950.db2.gz FARANMUCLUEXLC-NCOADZHNSA-N 1 0 428.555 -0.890 20 0 IBADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCC[NH2+]3)C[C@H]21)N1CCOCC1 ZINC001159767758 1073233902 /nfs/dbraw/zinc/23/39/02/1073233902.db2.gz LJTUDTPJDLAGOI-SLHNCBLASA-N 1 0 448.564 -0.301 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159767807 1073233927 /nfs/dbraw/zinc/23/39/27/1073233927.db2.gz MSKFGNKQFQOIAF-JKEDJMADSA-N 1 0 438.569 -0.166 20 0 IBADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)C[C@H]21)N1CCOCC1 ZINC001159768580 1073233790 /nfs/dbraw/zinc/23/37/90/1073233790.db2.gz XZJKFFASYAQCQR-BDXSIMOUSA-N 1 0 434.537 -0.928 20 0 IBADRO O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)C[C@H]21)N1CCOCC1 ZINC001159768581 1073234361 /nfs/dbraw/zinc/23/43/61/1073234361.db2.gz XZJKFFASYAQCQR-ZJPYXAASSA-N 1 0 434.537 -0.928 20 0 IBADRO [NH3+]C1(C(=O)N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)CCC2(CC1)OCCO2 ZINC001159768812 1073234430 /nfs/dbraw/zinc/23/44/30/1073234430.db2.gz ZIWCLPSAMHHFNS-KURKYZTESA-N 1 0 437.537 -0.029 20 0 IBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769298 1073234236 /nfs/dbraw/zinc/23/42/36/1073234236.db2.gz IIJXMIQLADYVQT-HPBDAGMYSA-N 1 0 430.509 -0.402 20 0 IBADRO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)O1 ZINC001159769737 1073234394 /nfs/dbraw/zinc/23/43/94/1073234394.db2.gz NCQKSTWBCMRCTL-HZMVEIRTSA-N 1 0 425.551 -0.315 20 0 IBADRO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)O1 ZINC001159769738 1073234350 /nfs/dbraw/zinc/23/43/50/1073234350.db2.gz NCQKSTWBCMRCTL-VQHPVUNQSA-N 1 0 425.551 -0.315 20 0 IBADRO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@H]1COC3)CCC2)c1ccco1 ZINC001159790253 1073234503 /nfs/dbraw/zinc/23/45/03/1073234503.db2.gz BDGKFYOALXQNHA-QKKBWIMNSA-N 1 0 427.461 -0.265 20 0 IBADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790424 1073234368 /nfs/dbraw/zinc/23/43/68/1073234368.db2.gz CKJGPFPKFCQJOP-HNNXBMFYSA-N 1 0 442.476 -0.552 20 0 IBADRO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)CCC2)c1ccco1 ZINC001159790446 1073234438 /nfs/dbraw/zinc/23/44/38/1073234438.db2.gz DISXSSXQXYCTES-LHSJRXKWSA-N 1 0 426.477 -0.550 20 0 IBADRO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)CCC2)c1ccco1 ZINC001159790447 1073234212 /nfs/dbraw/zinc/23/42/12/1073234212.db2.gz DISXSSXQXYCTES-QKKBWIMNSA-N 1 0 426.477 -0.550 20 0 IBADRO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)CCC2)c1ccco1 ZINC001159790448 1073234543 /nfs/dbraw/zinc/23/45/43/1073234543.db2.gz DISXSSXQXYCTES-SPLOXXLWSA-N 1 0 426.477 -0.550 20 0 IBADRO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)CCC2)c1ccco1 ZINC001159790449 1073234336 /nfs/dbraw/zinc/23/43/36/1073234336.db2.gz DISXSSXQXYCTES-SZNDQCEHSA-N 1 0 426.477 -0.550 20 0 IBADRO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[NH2+][C@@H]3CCO[C@@H]31)CCC2)c1ccco1 ZINC001159790478 1073234403 /nfs/dbraw/zinc/23/44/03/1073234403.db2.gz FDBNRCVUNFGFLI-QMTMVMCOSA-N 1 0 427.461 -0.125 20 0 IBADRO O=C(CNC1CC[NH2+]CC1)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790658 1073234804 /nfs/dbraw/zinc/23/48/04/1073234804.db2.gz JYTRWZKYTCLZSZ-UHFFFAOYSA-N 1 0 428.493 -0.160 20 0 IBADRO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CCC2)c1ccco1 ZINC001159790667 1073234850 /nfs/dbraw/zinc/23/48/50/1073234850.db2.gz KNFSPOMJAHOSLI-CWRNSKLLSA-N 1 0 426.477 -0.552 20 0 IBADRO [NH3+]CCNC(=O)/C=C/C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790670 1073234924 /nfs/dbraw/zinc/23/49/24/1073234924.db2.gz KUEADCFPCGUJRW-SNAWJCMRSA-N 1 0 428.449 -0.870 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790710 1073234750 /nfs/dbraw/zinc/23/47/50/1073234750.db2.gz LQBXAJKANHXWEU-STQMWFEESA-N 1 0 430.465 -0.650 20 0 IBADRO C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790798 1073234834 /nfs/dbraw/zinc/23/48/34/1073234834.db2.gz OEIYXFMCCPFWLH-KJEZJMDVSA-N 1 0 435.506 -0.406 20 0 IBADRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790799 1073234725 /nfs/dbraw/zinc/23/47/25/1073234725.db2.gz OEIYXFMCCPFWLH-NGFNCXNUSA-N 1 0 435.506 -0.406 20 0 IBADRO [NH3+]CCOCCOCC(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790804 1073234870 /nfs/dbraw/zinc/23/48/70/1073234870.db2.gz OMRAJWCVZUPVJD-UHFFFAOYSA-N 1 0 433.465 -0.510 20 0 IBADRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790984 1073234882 /nfs/dbraw/zinc/23/48/82/1073234882.db2.gz RMGUJBYYLCLJHJ-AWEZNQCLSA-N 1 0 431.449 -0.221 20 0 IBADRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790985 1073234773 /nfs/dbraw/zinc/23/47/73/1073234773.db2.gz RMGUJBYYLCLJHJ-CQSZACIVSA-N 1 0 431.449 -0.221 20 0 IBADRO C[C@@]1(C(=O)N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)CC[NH2+]C[C@@H]1O ZINC001159790987 1073234745 /nfs/dbraw/zinc/23/47/45/1073234745.db2.gz RPGXOMWNWOJIAC-HRAATJIYSA-N 1 0 429.477 -0.141 20 0 IBADRO C[C@]1(C(=O)N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)CC[NH2+]C[C@H]1O ZINC001159790988 1073234820 /nfs/dbraw/zinc/23/48/20/1073234820.db2.gz RPGXOMWNWOJIAC-IERDGZPVSA-N 1 0 429.477 -0.141 20 0 IBADRO C[C@@]1(C(=O)N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)CC[NH2+]C[C@H]1O ZINC001159790989 1073234829 /nfs/dbraw/zinc/23/48/29/1073234829.db2.gz RPGXOMWNWOJIAC-IIBYNOLFSA-N 1 0 429.477 -0.141 20 0 IBADRO C[C@]1(C(=O)N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)CC[NH2+]C[C@@H]1O ZINC001159790990 1073234738 /nfs/dbraw/zinc/23/47/38/1073234738.db2.gz RPGXOMWNWOJIAC-KKSFZXQISA-N 1 0 429.477 -0.141 20 0 IBADRO [NH3+][C@@H](Cn1cccn1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159791004 1073234859 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/nfs/dbraw/zinc/23/53/73/1073235373.db2.gz VKSQGJLJICXGMB-DOTOQJQBSA-N 1 0 443.460 -0.350 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159791192 1073235411 /nfs/dbraw/zinc/23/54/11/1073235411.db2.gz VKSQGJLJICXGMB-NVXWUHKLSA-N 1 0 443.460 -0.350 20 0 IBADRO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159791193 1073235238 /nfs/dbraw/zinc/23/52/38/1073235238.db2.gz VKSQGJLJICXGMB-RDJZCZTQSA-N 1 0 443.460 -0.350 20 0 IBADRO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159791194 1073235251 /nfs/dbraw/zinc/23/52/51/1073235251.db2.gz VKSQGJLJICXGMB-WBVHZDCISA-N 1 0 443.460 -0.350 20 0 IBADRO O=C(NCc1cc(=O)n2c(n1)CN(C(=O)C1=NO[C@@H]3C[NH2+]C[C@H]13)CCC2)c1ccco1 ZINC001159791421 1073235383 /nfs/dbraw/zinc/23/53/83/1073235383.db2.gz WEJKDDIRGVXWEJ-DZGCQCFKSA-N 1 0 426.433 -0.527 20 0 IBADRO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC[C@H]21 ZINC001159791455 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CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001159874419 1073237178 /nfs/dbraw/zinc/23/71/78/1073237178.db2.gz SBWRRCKBRHFAKN-WBAXXEDZSA-N 1 0 437.541 -0.404 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159884426 1073237240 /nfs/dbraw/zinc/23/72/40/1073237240.db2.gz CXBOSZGMGLMWLF-HRAATJIYSA-N 1 0 434.541 -0.067 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159884427 1073237686 /nfs/dbraw/zinc/23/76/86/1073237686.db2.gz CXBOSZGMGLMWLF-KKSFZXQISA-N 1 0 434.541 -0.067 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)COC1(C)C ZINC001159887272 1073237736 /nfs/dbraw/zinc/23/77/36/1073237736.db2.gz UPRGLIRELKFPPD-CKJXQJPGSA-N 1 0 432.525 -0.015 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)COC1(C)C ZINC001159887273 1073237694 /nfs/dbraw/zinc/23/76/94/1073237694.db2.gz UPRGLIRELKFPPD-QYWGDWMGSA-N 1 0 432.525 -0.015 20 0 IBADRO 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432.568 -0.114 20 0 IBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001159908320 1073237491 /nfs/dbraw/zinc/23/74/91/1073237491.db2.gz IRJDJZHRCMLGQR-GRDNDAEWSA-N 1 0 432.568 -0.114 20 0 IBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001159908322 1073237751 /nfs/dbraw/zinc/23/77/51/1073237751.db2.gz IRJDJZHRCMLGQR-JJRVBVJISA-N 1 0 432.568 -0.114 20 0 IBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001159908324 1073237573 /nfs/dbraw/zinc/23/75/73/1073237573.db2.gz IRJDJZHRCMLGQR-JKIFEVAISA-N 1 0 432.568 -0.114 20 0 IBADRO Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@@H]21 ZINC001159908820 1073237744 /nfs/dbraw/zinc/23/77/44/1073237744.db2.gz KOJIKWZJFNQNAT-PSBWJHGTSA-N 1 0 429.521 -0.087 20 0 IBADRO Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@@H]21 ZINC001159908823 1073237470 /nfs/dbraw/zinc/23/74/70/1073237470.db2.gz KOJIKWZJFNQNAT-ZAWLATJESA-N 1 0 429.521 -0.087 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001159913040 1073237706 /nfs/dbraw/zinc/23/77/06/1073237706.db2.gz YTMVUDOIDOYNMI-CKENWRIRSA-N 1 0 439.538 -0.627 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001159913041 1073238090 /nfs/dbraw/zinc/23/80/90/1073238090.db2.gz YTMVUDOIDOYNMI-GGOFEBJYSA-N 1 0 439.538 -0.627 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001159913042 1073238171 /nfs/dbraw/zinc/23/81/71/1073238171.db2.gz YTMVUDOIDOYNMI-IQNXINDISA-N 1 0 439.538 -0.627 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001159913043 1073238042 /nfs/dbraw/zinc/23/80/42/1073238042.db2.gz YTMVUDOIDOYNMI-RKWLLSJHSA-N 1 0 439.538 -0.627 20 0 IBADRO COCCN1CCO[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])CC[C@H]2C1=O ZINC001159916251 1073238062 /nfs/dbraw/zinc/23/80/62/1073238062.db2.gz 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C[NH+]1CCC(Oc2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)c2)CC1 ZINC001160092360 1073245822 /nfs/dbraw/zinc/24/58/22/1073245822.db2.gz DPDBHTMQQRVLGP-UTRMSSBJSA-N 1 0 432.481 -0.733 20 0 IBADRO CCOC(=O)c1c[nH]c2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)[nH+]cc21 ZINC001160092824 1073246221 /nfs/dbraw/zinc/24/62/21/1073246221.db2.gz MODDQLDSOYFCEN-BASLNEPJSA-N 1 0 430.421 -0.548 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3cccc(OCC[NH+]4CCCC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093008 1073246285 /nfs/dbraw/zinc/24/62/85/1073246285.db2.gz PYHJBVVJIWSUFU-BYNBJNPRSA-N 1 0 432.481 -0.566 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3ccc(OCC4CC[NH2+]CC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160094855 1073247217 /nfs/dbraw/zinc/24/72/17/1073247217.db2.gz ZIYUXIYVKBOAOI-UTRMSSBJSA-N 1 0 432.481 -0.828 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001160095560 1073247342 /nfs/dbraw/zinc/24/73/42/1073247342.db2.gz ZMAZPYSZMAQNRS-CNMWIUBYSA-N 1 0 435.569 -0.386 20 0 IBADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H]([NH+](C)C)C2)cn1C ZINC001160096244 1073247364 /nfs/dbraw/zinc/24/73/64/1073247364.db2.gz HDILQEBMMWCFTI-CVEARBPZSA-N 1 0 442.586 -0.300 20 0 IBADRO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H]([NH+](C)C)C2)cn1C ZINC001160096245 1073247251 /nfs/dbraw/zinc/24/72/51/1073247251.db2.gz HDILQEBMMWCFTI-HOTGVXAUSA-N 1 0 442.586 -0.300 20 0 IBADRO CC(C)C[C@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001160097133 1073247325 /nfs/dbraw/zinc/24/73/25/1073247325.db2.gz RCCDFSXQHIHKFB-HOCLYGCPSA-N 1 0 428.559 -0.386 20 0 IBADRO CC(C)C[C@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001160097134 1073247245 /nfs/dbraw/zinc/24/72/45/1073247245.db2.gz RCCDFSXQHIHKFB-ZBFHGGJFSA-N 1 0 428.559 -0.386 20 0 IBADRO O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160100891 1073247357 /nfs/dbraw/zinc/24/73/57/1073247357.db2.gz BYEQOSCVZAZUDP-KRWDZBQOSA-N 1 0 444.536 -0.244 20 0 IBADRO O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160100892 1073247309 /nfs/dbraw/zinc/24/73/09/1073247309.db2.gz BYEQOSCVZAZUDP-QGZVFWFLSA-N 1 0 444.536 -0.244 20 0 IBADRO O=C([C@H]1COC2(C1)CCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2)N1CCOCC1 ZINC001160103652 1073247187 /nfs/dbraw/zinc/24/71/87/1073247187.db2.gz NYZQLJUCHKXDJB-CVEARBPZSA-N 1 0 441.550 -0.980 20 0 IBADRO O=C([C@@H]1COC2(C1)CCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2)N1CCOCC1 ZINC001160103653 1073247314 /nfs/dbraw/zinc/24/73/14/1073247314.db2.gz NYZQLJUCHKXDJB-HOTGVXAUSA-N 1 0 441.550 -0.980 20 0 IBADRO O=C([C@H]1COC2(C1)CCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2)N1CCOCC1 ZINC001160103654 1073247289 /nfs/dbraw/zinc/24/72/89/1073247289.db2.gz NYZQLJUCHKXDJB-HZPDHXFCSA-N 1 0 441.550 -0.980 20 0 IBADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160103655 1073247233 /nfs/dbraw/zinc/24/72/33/1073247233.db2.gz NYZQLJUCHKXDJB-JKSUJKDBSA-N 1 0 441.550 -0.980 20 0 IBADRO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001160104420 1073247837 /nfs/dbraw/zinc/24/78/37/1073247837.db2.gz QHUBLJATGFEWTH-DLBZAZTESA-N 1 0 436.520 -0.016 20 0 IBADRO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001160104424 1073247794 /nfs/dbraw/zinc/24/77/94/1073247794.db2.gz QHUBLJATGFEWTH-IAGOWNOFSA-N 1 0 436.520 -0.016 20 0 IBADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001160104427 1073247847 /nfs/dbraw/zinc/24/78/47/1073247847.db2.gz QHUBLJATGFEWTH-IRXDYDNUSA-N 1 0 436.520 -0.016 20 0 IBADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001160104430 1073247762 /nfs/dbraw/zinc/24/77/62/1073247762.db2.gz QHUBLJATGFEWTH-SJORKVTESA-N 1 0 436.520 -0.016 20 0 IBADRO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160106130 1073247798 /nfs/dbraw/zinc/24/77/98/1073247798.db2.gz VYPIVQSFSSSJCL-FHWLQOOXSA-N 1 0 448.564 -0.014 20 0 IBADRO O=C([C@H]1COC2(C1)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)CC2)N1CCOCC1 ZINC001160106131 1073247777 /nfs/dbraw/zinc/24/77/77/1073247777.db2.gz VYPIVQSFSSSJCL-QYZOEREBSA-N 1 0 448.564 -0.014 20 0 IBADRO O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160106658 1073247756 /nfs/dbraw/zinc/24/77/56/1073247756.db2.gz ZIGDGZQYWFQSEP-DLBZAZTESA-N 1 0 434.537 -0.641 20 0 IBADRO O=C([C@H]1COC2(C1)CCN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)CC2)N1CCOCC1 ZINC001160106660 1073247812 /nfs/dbraw/zinc/24/78/12/1073247812.db2.gz ZIGDGZQYWFQSEP-IAGOWNOFSA-N 1 0 434.537 -0.641 20 0 IBADRO O=C([C@@H]1COC2(C1)CCN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)CC2)N1CCOCC1 ZINC001160106663 1073247843 /nfs/dbraw/zinc/24/78/43/1073247843.db2.gz ZIGDGZQYWFQSEP-IRXDYDNUSA-N 1 0 434.537 -0.641 20 0 IBADRO O=C([C@H]1COC2(C1)CCN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)CC2)N1CCOCC1 ZINC001160106666 1073247750 /nfs/dbraw/zinc/24/77/50/1073247750.db2.gz ZIGDGZQYWFQSEP-SJORKVTESA-N 1 0 434.537 -0.641 20 0 IBADRO c1ccc(N2CC[NH2+]CC2)c(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 ZINC001160108038 1073247769 /nfs/dbraw/zinc/24/77/69/1073247769.db2.gz DDKIWVFZZYDUDM-UHFFFAOYSA-N 1 0 440.552 -0.012 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1)C(N)=O ZINC001160111527 1073247815 /nfs/dbraw/zinc/24/78/15/1073247815.db2.gz ZXFXVOHYSMLWJX-CWRNSKLLSA-N 1 0 430.509 -0.856 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1)C(N)=O ZINC001160111528 1073247782 /nfs/dbraw/zinc/24/77/82/1073247782.db2.gz ZXFXVOHYSMLWJX-NUEKZKHPSA-N 1 0 430.509 -0.856 20 0 IBADRO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001160117949 1073247789 /nfs/dbraw/zinc/24/77/89/1073247789.db2.gz IZDATFRAASRBND-KRWDZBQOSA-N 1 0 435.500 -0.092 20 0 IBADRO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001160117950 1073247722 /nfs/dbraw/zinc/24/77/22/1073247722.db2.gz IZDATFRAASRBND-QGZVFWFLSA-N 1 0 435.500 -0.092 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001160119057 1073247730 /nfs/dbraw/zinc/24/77/30/1073247730.db2.gz AJTMLIQQLKMLCE-YHUYYLMFSA-N 1 0 431.493 -0.593 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160128429 1073247829 /nfs/dbraw/zinc/24/78/29/1073247829.db2.gz NMKIWXFIENUHHM-BBRMVZONSA-N 1 0 429.481 -0.742 20 0 IBADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)O1 ZINC001160137599 1073247850 /nfs/dbraw/zinc/24/78/50/1073247850.db2.gz GVPVOOBBRPIAEA-MANSERQUSA-N 1 0 441.532 -0.086 20 0 IBADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)O1 ZINC001160137600 1073248180 /nfs/dbraw/zinc/24/81/80/1073248180.db2.gz GVPVOOBBRPIAEA-MKXGPGLRSA-N 1 0 441.532 -0.086 20 0 IBADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)O1 ZINC001160138040 1073248149 /nfs/dbraw/zinc/24/81/49/1073248149.db2.gz KPZZRMIHPYKHKX-MLHJIOFPSA-N 1 0 448.545 -0.425 20 0 IBADRO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)O1 ZINC001160138043 1073248186 /nfs/dbraw/zinc/24/81/86/1073248186.db2.gz KPZZRMIHPYKHKX-TVFCKZIOSA-N 1 0 448.545 -0.425 20 0 IBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]21 ZINC001160138489 1073248208 /nfs/dbraw/zinc/24/82/08/1073248208.db2.gz MYWPFBQBTYUSHZ-MLHJIOFPSA-N 1 0 435.550 -0.048 20 0 IBADRO CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001160147301 1073248362 /nfs/dbraw/zinc/24/83/62/1073248362.db2.gz FCAFWPJUVQAMNK-UHFFFAOYSA-N 1 0 431.584 -0.324 20 0 IBADRO CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001160148552 1073248331 /nfs/dbraw/zinc/24/83/31/1073248331.db2.gz VXZFYXJCCTYUMW-AAEUAGOBSA-N 1 0 438.554 -0.837 20 0 IBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1)C2 ZINC001160171342 1073248355 /nfs/dbraw/zinc/24/83/55/1073248355.db2.gz 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BCICKXTVGYJWOH-YDHSSHFGSA-N 1 0 441.532 -0.585 20 0 IBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001160172336 1073248735 /nfs/dbraw/zinc/24/87/35/1073248735.db2.gz CGZGRIWEHHUJIX-GGLFYADGSA-N 1 0 441.598 -0.453 20 0 IBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001160172337 1073248616 /nfs/dbraw/zinc/24/86/16/1073248616.db2.gz CGZGRIWEHHUJIX-NUADTHGBSA-N 1 0 441.598 -0.453 20 0 IBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)C[NH3+])C2 ZINC001160172808 1073248822 /nfs/dbraw/zinc/24/88/22/1073248822.db2.gz HHWIZVMRJBJHAN-AVRDEDQJSA-N 1 0 440.504 -0.897 20 0 IBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)C[NH3+])C2 ZINC001160172814 1073248715 /nfs/dbraw/zinc/24/87/15/1073248715.db2.gz HHWIZVMRJBJHAN-PGRDOPGGSA-N 1 0 440.504 -0.897 20 0 IBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1ccc(C(=O)NC3CC[NH2+]CC3)cc1)C2 ZINC001160173599 1073248639 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CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)CC[C@@H]21 ZINC001160174233 1073249277 /nfs/dbraw/zinc/24/92/77/1073249277.db2.gz RXTLDNYJUJEBFO-XDNAFOTISA-N 1 0 435.550 -0.502 20 0 IBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1CN(Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174234 1073249328 /nfs/dbraw/zinc/24/93/28/1073249328.db2.gz RYVSQXIXBFWWSP-AUSIDOKSSA-N 1 0 425.533 -0.343 20 0 IBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1CN(Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174235 1073249242 /nfs/dbraw/zinc/24/92/42/1073249242.db2.gz RYVSQXIXBFWWSP-CVDCTZTESA-N 1 0 425.533 -0.343 20 0 IBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1CN(Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174236 1073249161 /nfs/dbraw/zinc/24/91/61/1073249161.db2.gz RYVSQXIXBFWWSP-WMZHIEFXSA-N 1 0 425.533 -0.343 20 0 IBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1CN(Cc3ccccc3)CC13C[NH2+]C3)C2 ZINC001160174237 1073249203 /nfs/dbraw/zinc/24/92/03/1073249203.db2.gz RYVSQXIXBFWWSP-XXBNENTESA-N 1 0 425.533 -0.343 20 0 IBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C2 ZINC001160174241 1073249307 /nfs/dbraw/zinc/24/93/07/1073249307.db2.gz SFEFBTJSGVTNOQ-MSYCTHLASA-N 1 0 441.532 -0.503 20 0 IBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C2 ZINC001160174242 1073249112 /nfs/dbraw/zinc/24/91/12/1073249112.db2.gz SFEFBTJSGVTNOQ-SELNLUPBSA-N 1 0 441.532 -0.503 20 0 IBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1ccc(C(=O)N3CCC([NH3+])CC3)cc1)C2 ZINC001160174271 1073249193 /nfs/dbraw/zinc/24/91/93/1073249193.db2.gz SZUOCFRMTAULOM-JOCHJYFZSA-N 1 0 427.505 -0.187 20 0 IBADRO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1ccc(C(=O)N3CCC([NH3+])CC3)cc1)C2 ZINC001160174272 1073249267 /nfs/dbraw/zinc/24/92/67/1073249267.db2.gz SZUOCFRMTAULOM-QFIPXVFZSA-N 1 0 427.505 -0.187 20 0 IBADRO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001160174553 1073249129 /nfs/dbraw/zinc/24/91/29/1073249129.db2.gz WGXQCJFYMFQNRX-CKJXQJPGSA-N 1 0 437.541 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433.553 -0.532 20 0 IBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C[C@]2(CCCC(=O)N2)C1 ZINC001160190888 1073249091 /nfs/dbraw/zinc/24/90/91/1073249091.db2.gz GHRAQYUKKOHOLT-KKSFZXQISA-N 1 0 433.553 -0.532 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001160191696 1073249742 /nfs/dbraw/zinc/24/97/42/1073249742.db2.gz NFSNXBFSNTYVLF-FDPKGLCPSA-N 1 0 433.553 -0.406 20 0 IBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCN(C(=O)C(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001160192016 1073249712 /nfs/dbraw/zinc/24/97/12/1073249712.db2.gz QFDPUTXLRHLXNN-HNAYVOBHSA-N 1 0 427.571 -0.494 20 0 IBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCN(C(=O)C(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192018 1073249724 /nfs/dbraw/zinc/24/97/24/1073249724.db2.gz QFDPUTXLRHLXNN-KXBFYZLASA-N 1 0 427.571 -0.494 20 0 IBADRO CC(C)C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@]2(CCCC(=O)N2)C1 ZINC001160192370 1073249699 /nfs/dbraw/zinc/24/96/99/1073249699.db2.gz WKHJSZMDAVYMCT-BEFAXECRSA-N 1 0 440.566 -0.871 20 0 IBADRO CC(C)C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192371 1073249676 /nfs/dbraw/zinc/24/96/76/1073249676.db2.gz WKHJSZMDAVYMCT-DNVCBOLYSA-N 1 0 440.566 -0.871 20 0 IBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192372 1073249720 /nfs/dbraw/zinc/24/97/20/1073249720.db2.gz WKHJSZMDAVYMCT-HNAYVOBHSA-N 1 0 440.566 -0.871 20 0 IBADRO CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@]2(CCCC(=O)N2)C1 ZINC001160192373 1073249635 /nfs/dbraw/zinc/24/96/35/1073249635.db2.gz WKHJSZMDAVYMCT-KXBFYZLASA-N 1 0 440.566 -0.871 20 0 IBADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192637 1073249653 /nfs/dbraw/zinc/24/96/53/1073249653.db2.gz CLWTYLUGARKWGP-HNNXBMFYSA-N 1 0 433.538 -0.330 20 0 IBADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192638 1073249753 /nfs/dbraw/zinc/24/97/53/1073249753.db2.gz 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C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160342457 1073254203 /nfs/dbraw/zinc/25/42/03/1073254203.db2.gz BRXCSVHREQKMET-UXLLHSPISA-N 1 0 440.508 -0.600 20 0 IBADRO C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160342458 1073254148 /nfs/dbraw/zinc/25/41/48/1073254148.db2.gz BRXCSVHREQKMET-ZOBUZTSGSA-N 1 0 440.508 -0.600 20 0 IBADRO CC(=O)NCCCC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160342491 1073254235 /nfs/dbraw/zinc/25/42/35/1073254235.db2.gz CQWXVIQRADCYMY-AEFFLSMTSA-N 1 0 442.524 -0.305 20 0 IBADRO CC(=O)NCCCC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160342492 1073254261 /nfs/dbraw/zinc/25/42/61/1073254261.db2.gz CQWXVIQRADCYMY-WMZOPIPTSA-N 1 0 442.524 -0.305 20 0 IBADRO CN(CC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1)[C@H]1CCC[NH2+]C1 ZINC001160342493 1073254254 /nfs/dbraw/zinc/25/42/54/1073254254.db2.gz CSFCIMFNKFOJNP-AEFFLSMTSA-N 1 0 426.525 -0.255 20 0 IBADRO CN(CC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001160342494 1073254249 /nfs/dbraw/zinc/25/42/49/1073254249.db2.gz CSFCIMFNKFOJNP-FUHWJXTLSA-N 1 0 426.525 -0.255 20 0 IBADRO CN(CC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001160342779 1073254220 /nfs/dbraw/zinc/25/42/20/1073254220.db2.gz CSFCIMFNKFOJNP-SJLPKXTDSA-N 1 0 426.525 -0.255 20 0 IBADRO CN(CC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1)[C@H]1CCC[NH2+]C1 ZINC001160342782 1073254213 /nfs/dbraw/zinc/25/42/13/1073254213.db2.gz CSFCIMFNKFOJNP-WMZOPIPTSA-N 1 0 426.525 -0.255 20 0 IBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1)c1ccnnc1 ZINC001160342817 1073254167 /nfs/dbraw/zinc/25/41/67/1073254167.db2.gz DDYXZTWBKMQKQJ-MXSMSXNCSA-N 1 0 425.493 -0.172 20 0 IBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1)c1ccnnc1 ZINC001160342818 1073254176 /nfs/dbraw/zinc/25/41/76/1073254176.db2.gz DDYXZTWBKMQKQJ-UOVPBQLFSA-N 1 0 425.493 -0.172 20 0 IBADRO C[NH2+][C@H]1CCCN(CC(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342831 1073254256 /nfs/dbraw/zinc/25/42/56/1073254256.db2.gz DIIZMEKWVPZMMO-AEFFLSMTSA-N 1 0 426.525 -0.255 20 0 IBADRO C[NH2+][C@@H]1CCCN(CC(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342832 1073254162 /nfs/dbraw/zinc/25/41/62/1073254162.db2.gz DIIZMEKWVPZMMO-FUHWJXTLSA-N 1 0 426.525 -0.255 20 0 IBADRO C[NH2+][C@@H]1CCCN(CC(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342833 1073254111 /nfs/dbraw/zinc/25/41/11/1073254111.db2.gz DIIZMEKWVPZMMO-SJLPKXTDSA-N 1 0 426.525 -0.255 20 0 IBADRO C[NH2+][C@H]1CCCN(CC(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342834 1073254229 /nfs/dbraw/zinc/25/42/29/1073254229.db2.gz DIIZMEKWVPZMMO-WMZOPIPTSA-N 1 0 426.525 -0.255 20 0 IBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)c2cnc3n2CC[NH2+]CC3)C1)c1ccnnc1 ZINC001160343426 1073254665 /nfs/dbraw/zinc/25/46/65/1073254665.db2.gz JFDHWUVLJGCSQQ-HNNXBMFYSA-N 1 0 435.492 -0.283 20 0 IBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)c2cnc3n2CC[NH2+]CC3)C1)c1ccnnc1 ZINC001160343427 1073254633 /nfs/dbraw/zinc/25/46/33/1073254633.db2.gz JFDHWUVLJGCSQQ-OAHLLOKOSA-N 1 0 435.492 -0.283 20 0 IBADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343440 1073254708 /nfs/dbraw/zinc/25/47/08/1073254708.db2.gz JMIFMFBIHGFHEM-DOXZYTNZSA-N 1 0 442.524 -0.449 20 0 IBADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343441 1073254715 /nfs/dbraw/zinc/25/47/15/1073254715.db2.gz JMIFMFBIHGFHEM-KHYOSLBOSA-N 1 0 442.524 -0.449 20 0 IBADRO [NH3+][C@H](C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1)C1CCC(O)CC1 ZINC001160343502 1073254698 /nfs/dbraw/zinc/25/46/98/1073254698.db2.gz KLBZAHVJNLBOTH-QCNKBUPASA-N 1 0 427.509 -0.060 20 0 IBADRO [NH3+][C@H](C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1)C1CCC(O)CC1 ZINC001160343503 1073254711 /nfs/dbraw/zinc/25/47/11/1073254711.db2.gz KLBZAHVJNLBOTH-QSUGNCRHSA-N 1 0 427.509 -0.060 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343707 1073254640 /nfs/dbraw/zinc/25/46/40/1073254640.db2.gz MNBWKTAAHJUUKJ-BHYGNILZSA-N 1 0 427.465 -0.787 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343709 1073254644 /nfs/dbraw/zinc/25/46/44/1073254644.db2.gz MNBWKTAAHJUUKJ-DJIMGWMZSA-N 1 0 427.465 -0.787 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343711 1073254682 /nfs/dbraw/zinc/25/46/82/1073254682.db2.gz MNBWKTAAHJUUKJ-HYVNUMGLSA-N 1 0 427.465 -0.787 20 0 IBADRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343712 1073254695 /nfs/dbraw/zinc/25/46/95/1073254695.db2.gz MNBWKTAAHJUUKJ-USXIJHARSA-N 1 0 427.465 -0.787 20 0 IBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)C1)c1ccnnc1 ZINC001160343739 1073254714 /nfs/dbraw/zinc/25/47/14/1073254714.db2.gz MSQVTCBAHZIXTH-DZOHQFGASA-N 1 0 425.493 -0.029 20 0 IBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)C1)c1ccnnc1 ZINC001160343741 1073254678 /nfs/dbraw/zinc/25/46/78/1073254678.db2.gz MSQVTCBAHZIXTH-VDHUWJSZSA-N 1 0 425.493 -0.029 20 0 IBADRO [NH3+][C@H]1CCCCN(CC(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001160344022 1073254705 /nfs/dbraw/zinc/25/47/05/1073254705.db2.gz OWQKFEBBOHYFEE-RDJZCZTQSA-N 1 0 440.508 -0.599 20 0 IBADRO [NH3+][C@H]1CCCCN(CC(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001160344023 1073254653 /nfs/dbraw/zinc/25/46/53/1073254653.db2.gz OWQKFEBBOHYFEE-WBVHZDCISA-N 1 0 440.508 -0.599 20 0 IBADRO O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344306 1073254722 /nfs/dbraw/zinc/25/47/22/1073254722.db2.gz QNDALRBKQNSTBU-JXFKEZNVSA-N 1 0 430.509 -0.973 20 0 IBADRO O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344308 1073254620 /nfs/dbraw/zinc/25/46/20/1073254620.db2.gz QNDALRBKQNSTBU-OXJNMPFZSA-N 1 0 430.509 -0.973 20 0 IBADRO O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344311 1073254671 /nfs/dbraw/zinc/25/46/71/1073254671.db2.gz QNDALRBKQNSTBU-OXQOHEQNSA-N 1 0 430.509 -0.973 20 0 IBADRO O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160344313 1073254704 /nfs/dbraw/zinc/25/47/04/1073254704.db2.gz QNDALRBKQNSTBU-UZLBHIALSA-N 1 0 430.509 -0.973 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160344576 1073254688 /nfs/dbraw/zinc/25/46/88/1073254688.db2.gz RFWVMMSNNTYMOQ-RDJZCZTQSA-N 1 0 442.524 -0.449 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160344577 1073254718 /nfs/dbraw/zinc/25/47/18/1073254718.db2.gz RFWVMMSNNTYMOQ-WBVHZDCISA-N 1 0 442.524 -0.449 20 0 IBADRO CCOC(=O)C1(C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C[NH2+]C1 ZINC001160344602 1073254912 /nfs/dbraw/zinc/25/49/12/1073254912.db2.gz RPSHKMQEMVRTMF-AWEZNQCLSA-N 1 0 427.465 -0.786 20 0 IBADRO CCOC(=O)C1(C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C[NH2+]C1 ZINC001160344603 1073254982 /nfs/dbraw/zinc/25/49/82/1073254982.db2.gz RPSHKMQEMVRTMF-CQSZACIVSA-N 1 0 427.465 -0.786 20 0 IBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160344829 1073254933 /nfs/dbraw/zinc/25/49/33/1073254933.db2.gz SOFVLLFBMYGQNE-HOCLYGCPSA-N 1 0 446.537 -0.784 20 0 IBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160344832 1073255101 /nfs/dbraw/zinc/25/51/01/1073255101.db2.gz SOFVLLFBMYGQNE-ZBFHGGJFSA-N 1 0 446.537 -0.784 20 0 IBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@H]32)C1)c1ccnnc1 ZINC001160344886 1073255085 /nfs/dbraw/zinc/25/50/85/1073255085.db2.gz UAZATDQWIOVPBV-BUIAKZPTSA-N 1 0 425.493 -0.314 20 0 IBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)C1)c1ccnnc1 ZINC001160344887 1073255089 /nfs/dbraw/zinc/25/50/89/1073255089.db2.gz UAZATDQWIOVPBV-BVYOLEPJSA-N 1 0 425.493 -0.314 20 0 IBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)C1)c1ccnnc1 ZINC001160344888 1073255058 /nfs/dbraw/zinc/25/50/58/1073255058.db2.gz UAZATDQWIOVPBV-MFWIUYSUSA-N 1 0 425.493 -0.314 20 0 IBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@@H]32)C1)c1ccnnc1 ZINC001160344889 1073255044 /nfs/dbraw/zinc/25/50/44/1073255044.db2.gz UAZATDQWIOVPBV-MGTHKWJCSA-N 1 0 425.493 -0.314 20 0 IBADRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160344972 1073255020 /nfs/dbraw/zinc/25/50/20/1073255020.db2.gz VEHDGCAJGVNMJM-RDJZCZTQSA-N 1 0 442.524 -0.449 20 0 IBADRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160344973 1073255069 /nfs/dbraw/zinc/25/50/69/1073255069.db2.gz VEHDGCAJGVNMJM-WBVHZDCISA-N 1 0 442.524 -0.449 20 0 IBADRO O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2C[C@H]3C[NH2+]CC[C@@H]3O2)C1)c1ccnnc1 ZINC001160345662 1073255011 /nfs/dbraw/zinc/25/50/11/1073255011.db2.gz XPDQNLDYTADDFF-LAVFITLUSA-N 1 0 425.493 -0.172 20 0 IBADRO O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[C@H]3C[NH2+]CC[C@@H]3O2)C1)c1ccnnc1 ZINC001160345663 1073255062 /nfs/dbraw/zinc/25/50/62/1073255062.db2.gz XPDQNLDYTADDFF-LEUOFYLZSA-N 1 0 425.493 -0.172 20 0 IBADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160345678 1073255506 /nfs/dbraw/zinc/25/55/06/1073255506.db2.gz XZAOYYAXMALFNX-HOCLYGCPSA-N 1 0 426.481 -0.989 20 0 IBADRO [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160345679 1073255370 /nfs/dbraw/zinc/25/53/70/1073255370.db2.gz XZAOYYAXMALFNX-ZBFHGGJFSA-N 1 0 426.481 -0.989 20 0 IBADRO O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160346117 1073255398 /nfs/dbraw/zinc/25/53/98/1073255398.db2.gz ZPNRLRCPZDBKSR-BZZMCLGOSA-N 1 0 425.493 -0.172 20 0 IBADRO O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160346118 1073255503 /nfs/dbraw/zinc/25/55/03/1073255503.db2.gz ZPNRLRCPZDBKSR-DZJNRPSUSA-N 1 0 425.493 -0.172 20 0 IBADRO O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352007 1073255499 /nfs/dbraw/zinc/25/54/99/1073255499.db2.gz BBILLIAPFQWSLK-NRFANRHFSA-N 1 0 440.508 -0.576 20 0 IBADRO O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352015 1073255457 /nfs/dbraw/zinc/25/54/57/1073255457.db2.gz BBILLIAPFQWSLK-OAQYLSRUSA-N 1 0 440.508 -0.576 20 0 IBADRO O=C(C1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352702 1073255386 /nfs/dbraw/zinc/25/53/86/1073255386.db2.gz IHQDSIOFUSFWDG-DENIHFKCSA-N 1 0 430.553 -0.015 20 0 IBADRO O=C(C1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352704 1073255453 /nfs/dbraw/zinc/25/54/53/1073255453.db2.gz IHQDSIOFUSFWDG-KNQAVFIVSA-N 1 0 430.553 -0.015 20 0 IBADRO O=C(C1CCN([C@H]2CC[NH2+]C2)CC1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352706 1073255515 /nfs/dbraw/zinc/25/55/15/1073255515.db2.gz IHQDSIOFUSFWDG-SIKLNZKXSA-N 1 0 430.553 -0.015 20 0 IBADRO O=C(C1CCN([C@H]2CC[NH2+]C2)CC1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352709 1073255493 /nfs/dbraw/zinc/25/54/93/1073255493.db2.gz IHQDSIOFUSFWDG-UGKGYDQZSA-N 1 0 430.553 -0.015 20 0 IBADRO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352863 1073255439 /nfs/dbraw/zinc/25/54/39/1073255439.db2.gz JKKQLKXMWFDDPI-NPPFBWRTSA-N 1 0 444.536 -0.346 20 0 IBADRO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352864 1073255465 /nfs/dbraw/zinc/25/54/65/1073255465.db2.gz JKKQLKXMWFDDPI-SPEDKVCISA-N 1 0 444.536 -0.346 20 0 IBADRO O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352969 1073255426 /nfs/dbraw/zinc/25/54/26/1073255426.db2.gz KQRCQWPTORXLGY-DXIQSLLYSA-N 1 0 430.553 -0.015 20 0 IBADRO O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160352971 1073255485 /nfs/dbraw/zinc/25/54/85/1073255485.db2.gz KQRCQWPTORXLGY-KNKQGSTJSA-N 1 0 430.553 -0.015 20 0 IBADRO 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IBADRO CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCSC ZINC001160441790 1073262430 /nfs/dbraw/zinc/26/24/30/1073262430.db2.gz XZFOBKPRIWZHPN-IHRRRGAJSA-N 1 0 448.611 -0.415 20 0 IBADRO CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCSC ZINC001160441793 1073262388 /nfs/dbraw/zinc/26/23/88/1073262388.db2.gz XZFOBKPRIWZHPN-MELADBBJSA-N 1 0 448.611 -0.415 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001160451696 1073262402 /nfs/dbraw/zinc/26/24/02/1073262402.db2.gz UMUKIDNTUXOGLN-HOJAQTOUSA-N 1 0 446.548 -0.010 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001160451697 1073262598 /nfs/dbraw/zinc/26/25/98/1073262598.db2.gz UMUKIDNTUXOGLN-IHPCNDPISA-N 1 0 446.548 -0.010 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(N)=O)CC1 ZINC001160456349 1073262443 /nfs/dbraw/zinc/26/24/43/1073262443.db2.gz ITJIENAIXFFEKC-WMZOPIPTSA-N 1 0 432.525 -0.964 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160469686 1073262553 /nfs/dbraw/zinc/26/25/53/1073262553.db2.gz CULSHIIHJSALSS-MAUKXSAKSA-N 1 0 448.520 -0.244 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160469687 1073262873 /nfs/dbraw/zinc/26/28/73/1073262873.db2.gz CULSHIIHJSALSS-YJBOKZPZSA-N 1 0 448.520 -0.244 20 0 IBADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160470674 1073262996 /nfs/dbraw/zinc/26/29/96/1073262996.db2.gz MUVAXFBKKAGMPD-PBHICJAKSA-N 1 0 435.502 -0.726 20 0 IBADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160470675 1073262915 /nfs/dbraw/zinc/26/29/15/1073262915.db2.gz MUVAXFBKKAGMPD-RHSMWYFYSA-N 1 0 435.502 -0.726 20 0 IBADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160470676 1073262897 /nfs/dbraw/zinc/26/28/97/1073262897.db2.gz MUVAXFBKKAGMPD-WMLDXEAASA-N 1 0 435.502 -0.726 20 0 IBADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160470677 1073262806 /nfs/dbraw/zinc/26/28/06/1073262806.db2.gz MUVAXFBKKAGMPD-YOEHRIQHSA-N 1 0 435.502 -0.726 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC2(C1)OCCO2 ZINC001160470891 1073262984 /nfs/dbraw/zinc/26/29/84/1073262984.db2.gz JVBFWMQQGFQHCP-HKUYNNGSSA-N 1 0 432.521 -0.211 20 0 IBADRO COC(=O)CCN(Cc1ccco1)C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001160471163 1073262905 /nfs/dbraw/zinc/26/29/05/1073262905.db2.gz QWUILTPKKRJKMG-ROUUACIJSA-N 1 0 433.461 -0.076 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)COC1(C)C ZINC001160471328 1073262831 /nfs/dbraw/zinc/26/28/31/1073262831.db2.gz SWUHMTHTAPQFFT-MPGHIAIKSA-N 1 0 446.504 -0.192 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)COC1(C)C ZINC001160471329 1073262967 /nfs/dbraw/zinc/26/29/67/1073262967.db2.gz SWUHMTHTAPQFFT-RLFYNMQTSA-N 1 0 446.504 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-0.412 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)C(N)=O ZINC001160478112 1073263576 /nfs/dbraw/zinc/26/35/76/1073263576.db2.gz MCTYMCOOEUWBAG-DTWKUNHWSA-N 1 0 437.448 -0.697 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCNC(=O)C1(C)C ZINC001160478283 1073263398 /nfs/dbraw/zinc/26/33/98/1073263398.db2.gz OZUIYTVNARJOCR-WMZOPIPTSA-N 1 0 431.537 -0.450 20 0 IBADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160478633 1073263345 /nfs/dbraw/zinc/26/33/45/1073263345.db2.gz XYVOJXWXKKOOCJ-SECBINFHSA-N 1 0 425.458 -0.018 20 0 IBADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160478635 1073263539 /nfs/dbraw/zinc/26/35/39/1073263539.db2.gz XYVOJXWXKKOOCJ-VIFPVBQESA-N 1 0 425.458 -0.018 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(CCc2ccccn2)CC1 ZINC001160484181 1073263505 /nfs/dbraw/zinc/26/35/05/1073263505.db2.gz ZTWHRYVVTKFATK-SFTDATJTSA-N 1 0 441.532 -0.479 20 0 IBADRO CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001160484948 1073263314 /nfs/dbraw/zinc/26/33/14/1073263314.db2.gz LBYMXOPDXJAUFA-IRXDYDNUSA-N 1 0 425.574 -0.211 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484955 1073263452 /nfs/dbraw/zinc/26/34/52/1073263452.db2.gz LEXLUODFIMJWJB-ROUUACIJSA-N 1 0 437.585 -0.114 20 0 IBADRO O=C(CN1CCN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)CC1)N1CCCC1 ZINC001160485045 1073263566 /nfs/dbraw/zinc/26/35/66/1073263566.db2.gz ONYDVNIIYUMCNA-GOSISDBHSA-N 1 0 427.509 -0.230 20 0 IBADRO O=C(CN1CCN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)CC1)N1CCCC1 ZINC001160485046 1073263557 /nfs/dbraw/zinc/26/35/57/1073263557.db2.gz ONYDVNIIYUMCNA-SFHVURJKSA-N 1 0 427.509 -0.230 20 0 IBADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001160485545 1073263361 /nfs/dbraw/zinc/26/33/61/1073263361.db2.gz XDJBAINXQRYJFL-HOTGVXAUSA-N 1 0 447.671 -0.027 20 0 IBADRO [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160485717 1073263493 /nfs/dbraw/zinc/26/34/93/1073263493.db2.gz ZVOHGOMSZFJHDE-FQEVSTJZSA-N 1 0 440.548 -0.080 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001160490437 1073263375 /nfs/dbraw/zinc/26/33/75/1073263375.db2.gz QLMBIBVHPPFRDQ-SFTDATJTSA-N 1 0 441.532 -0.479 20 0 IBADRO CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cn1 ZINC001160490442 1073263583 /nfs/dbraw/zinc/26/35/83/1073263583.db2.gz QPZDFISAEAPPDL-SJCJKPOMSA-N 1 0 432.529 -0.510 20 0 IBADRO CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)cn1 ZINC001160490656 1073263300 /nfs/dbraw/zinc/26/33/00/1073263300.db2.gz WQXNYRDZXGKWMK-SCLBCKFNSA-N 1 0 446.556 -0.120 20 0 IBADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001160492008 1073263437 /nfs/dbraw/zinc/26/34/37/1073263437.db2.gz CMALDLFLMUMRIS-DXCKQFNASA-N 1 0 438.506 -0.075 20 0 IBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001160492009 1073263326 /nfs/dbraw/zinc/26/33/26/1073263326.db2.gz CMALDLFLMUMRIS-JDFRZJQESA-N 1 0 438.506 -0.075 20 0 IBADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001160492010 1073263590 /nfs/dbraw/zinc/26/35/90/1073263590.db2.gz CMALDLFLMUMRIS-QEORTHHSSA-N 1 0 438.506 -0.075 20 0 IBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001160492011 1073263479 /nfs/dbraw/zinc/26/34/79/1073263479.db2.gz CMALDLFLMUMRIS-RVSPLBMKSA-N 1 0 438.506 -0.075 20 0 IBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001160492950 1073263947 /nfs/dbraw/zinc/26/39/47/1073263947.db2.gz KFMPMLCNQJQASN-HEHGZKQESA-N 1 0 435.462 -0.380 20 0 IBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001160492951 1073263844 /nfs/dbraw/zinc/26/38/44/1073263844.db2.gz KFMPMLCNQJQASN-WOSRLPQWSA-N 1 0 435.462 -0.380 20 0 IBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001160492952 1073263860 /nfs/dbraw/zinc/26/38/60/1073263860.db2.gz KFMPMLCNQJQASN-XEZPLFJOSA-N 1 0 435.462 -0.380 20 0 IBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001160492953 1073263824 /nfs/dbraw/zinc/26/38/24/1073263824.db2.gz KFMPMLCNQJQASN-ZENOOKHLSA-N 1 0 435.462 -0.380 20 0 IBADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001160492971 1073263922 /nfs/dbraw/zinc/26/39/22/1073263922.db2.gz KQMFIMBLJUBJFR-DAYGRLMNSA-N 1 0 448.501 -0.230 20 0 IBADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001160492972 1073263735 /nfs/dbraw/zinc/26/37/35/1073263735.db2.gz KQMFIMBLJUBJFR-HDMKZQKVSA-N 1 0 448.501 -0.230 20 0 IBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001160492973 1073263956 /nfs/dbraw/zinc/26/39/56/1073263956.db2.gz KQMFIMBLJUBJFR-MPGHIAIKSA-N 1 0 448.501 -0.230 20 0 IBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001160492974 1073263766 /nfs/dbraw/zinc/26/37/66/1073263766.db2.gz KQMFIMBLJUBJFR-RLFYNMQTSA-N 1 0 448.501 -0.230 20 0 IBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001160493223 1073263932 /nfs/dbraw/zinc/26/39/32/1073263932.db2.gz LSEGUUJJXSGHIH-ATZCPNFKSA-N 1 0 429.417 -0.221 20 0 IBADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001160493224 1073263940 /nfs/dbraw/zinc/26/39/40/1073263940.db2.gz LSEGUUJJXSGHIH-IQJOONFLSA-N 1 0 429.417 -0.221 20 0 IBADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001160493225 1073263907 /nfs/dbraw/zinc/26/39/07/1073263907.db2.gz LSEGUUJJXSGHIH-NGZCFLSTSA-N 1 0 429.417 -0.221 20 0 IBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001160493226 1073263968 /nfs/dbraw/zinc/26/39/68/1073263968.db2.gz LSEGUUJJXSGHIH-QXEWZRGKSA-N 1 0 429.417 -0.221 20 0 IBADRO CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1CCOCC1 ZINC001160493656 1073263873 /nfs/dbraw/zinc/26/38/73/1073263873.db2.gz OMFXFXBYOSRLJI-YEWWUXTCSA-N 1 0 430.521 -0.085 20 0 IBADRO COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160494990 1073263976 /nfs/dbraw/zinc/26/39/76/1073263976.db2.gz WBVVRTPILJMNRQ-BCUIYNNISA-N 1 0 445.538 -0.264 20 0 IBADRO COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160494992 1073263809 /nfs/dbraw/zinc/26/38/09/1073263809.db2.gz WBVVRTPILJMNRQ-JFILPPLUSA-N 1 0 445.538 -0.264 20 0 IBADRO COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160494994 1073263786 /nfs/dbraw/zinc/26/37/86/1073263786.db2.gz WBVVRTPILJMNRQ-QCQGSNGOSA-N 1 0 445.538 -0.264 20 0 IBADRO COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160494996 1073264270 /nfs/dbraw/zinc/26/42/70/1073264270.db2.gz WBVVRTPILJMNRQ-WFGGJUAMSA-N 1 0 445.538 -0.264 20 0 IBADRO CC(C)CC(=O)NC1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001160498923 1073264282 /nfs/dbraw/zinc/26/42/82/1073264282.db2.gz SUOXPKZTVYJNJN-OALUTQOASA-N 1 0 434.537 -0.108 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001160506909 1073264353 /nfs/dbraw/zinc/26/43/53/1073264353.db2.gz RFLGMNQIUBEAAH-JSGCOSHPSA-N 1 0 438.916 -0.046 20 0 IBADRO COC(=O)CN1CCN(C(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)CC1 ZINC001160531314 1073264300 /nfs/dbraw/zinc/26/43/00/1073264300.db2.gz KUSHUDHUROUCEC-GOSISDBHSA-N 1 0 449.533 -0.384 20 0 IBADRO COC(=O)CN1CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CC1 ZINC001160536082 1073264370 /nfs/dbraw/zinc/26/43/70/1073264370.db2.gz ZIDIVVUACNRBNK-ULQDDVLXSA-N 1 0 439.557 -0.827 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C(N)=O ZINC001160538216 1073264337 /nfs/dbraw/zinc/26/43/37/1073264337.db2.gz FRHRGRQMCLGEAK-SUMWQHHRSA-N 1 0 428.493 -0.450 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001160539581 1073264398 /nfs/dbraw/zinc/26/43/98/1073264398.db2.gz XKBIXYKOQQBEFC-RDJZCZTQSA-N 1 0 430.509 -0.183 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCc2ncccc2C1)C(=O)CF ZINC001160548766 1073264230 /nfs/dbraw/zinc/26/42/30/1073264230.db2.gz KWNNCNOJXVUULG-AXHNFQJDSA-N 1 0 435.500 -0.132 20 0 IBADRO CCS(=O)(=O)c1cnc(CNc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)nc1 ZINC001160549839 1073264384 /nfs/dbraw/zinc/26/43/84/1073264384.db2.gz AMSRKAUHISJKCI-UHFFFAOYSA-N 1 0 426.524 -0.236 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCc2nn(C)cc2C1)C(=O)CF ZINC001160556768 1073264444 /nfs/dbraw/zinc/26/44/44/1073264444.db2.gz BCNACQJZSJYNRK-QITLCBANSA-N 1 0 438.504 -0.794 20 0 IBADRO COc1cc2ncnc(N3CCN(C(=O)[C@@H]4COC5(C[NH2+]C5)CN4)CC3)c2cc1OC ZINC001160557838 1073264416 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ULFYJGRPEWWJIH-VQTJNVASSA-N 1 0 439.578 -0.138 20 0 IBADRO C[NH+](C)CCOc1ccc(CCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC001160657653 1073268674 /nfs/dbraw/zinc/26/86/74/1073268674.db2.gz ULFYJGRPEWWJIH-WOJBJXKFSA-N 1 0 439.578 -0.138 20 0 IBADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CC(NS(C)(=O)=O)C3)c2)cc1 ZINC001160658276 1074076601 /nfs/dbraw/zinc/07/66/01/1074076601.db2.gz RZAPVYKEZNBVAR-MRXNPFEDSA-N 1 0 441.535 -0.942 20 0 IBADRO COC(=O)CN(Cc1ccccc1)C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001160658323 1073269341 /nfs/dbraw/zinc/26/93/41/1073269341.db2.gz UUPCRPZYVOVRCU-OALUTQOASA-N 1 0 429.473 -0.059 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001160660094 1073269177 /nfs/dbraw/zinc/26/91/77/1073269177.db2.gz DRQYZPZDQSDQIQ-IRXDYDNUSA-N 1 0 426.539 -0.447 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001160661331 1073269250 /nfs/dbraw/zinc/26/92/50/1073269250.db2.gz OXXDWHSZNGLSLI-CYBMUJFWSA-N 1 0 443.426 -0.671 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001160661334 1073269331 /nfs/dbraw/zinc/26/93/31/1073269331.db2.gz OXXDWHSZNGLSLI-ZDUSSCGKSA-N 1 0 443.426 -0.671 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N2CC(NS(C)(=O)=O)C2)cc1 ZINC001160661368 1073269204 /nfs/dbraw/zinc/26/92/04/1073269204.db2.gz POODRFRFCLPVKF-INIZCTEOSA-N 1 0 432.568 -0.469 20 0 IBADRO CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001160662254 1073269321 /nfs/dbraw/zinc/26/93/21/1073269321.db2.gz WUPCZFWOZFIVAR-HOTGVXAUSA-N 1 0 428.580 -0.446 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC(N2CCOC(C)(C)C2)C1 ZINC001160662720 1073269243 /nfs/dbraw/zinc/26/92/43/1073269243.db2.gz CCTNFADCVGFRCO-ROUUACIJSA-N 1 0 437.585 -0.293 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC(=O)C(F)(F)C1)C(=O)CF ZINC001160663435 1073269351 /nfs/dbraw/zinc/26/93/51/1073269351.db2.gz MTTSRFYNWTZMKS-PGUXBMHVSA-N 1 0 436.431 -0.675 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOC[C@@H]1C(C)C)C(=O)CF ZINC001160669282 1073269191 /nfs/dbraw/zinc/26/91/91/1073269191.db2.gz AETBQSTZXXINBC-AFIMGQEJSA-N 1 0 430.521 -0.229 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOC[C@H]1C(C)C)C(=O)CF ZINC001160669284 1073269210 /nfs/dbraw/zinc/26/92/10/1073269210.db2.gz AETBQSTZXXINBC-XSWJXKHESA-N 1 0 430.521 -0.229 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(c2ccc3n[nH]cc3c2)CC1 ZINC001160674735 1073269383 /nfs/dbraw/zinc/26/93/83/1073269383.db2.gz UIOFUGBEYQLKPE-KSSFIOAISA-N 1 0 427.509 -0.334 20 0 IBADRO CN(Cc1sc2ccccc2c1Cl)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160676229 1073269259 /nfs/dbraw/zinc/26/92/59/1073269259.db2.gz QHRYBQLJQQKNGE-UHFFFAOYSA-N 1 0 439.925 -0.180 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)CCC1OCCO1)C(=O)CF ZINC001160684424 1073269368 /nfs/dbraw/zinc/26/93/68/1073269368.db2.gz UUEFPTRDTYTXOX-DCGLDWPTSA-N 1 0 432.493 -0.891 20 0 IBADRO CCN(CCn1cccn1)C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001160692579 1073269576 /nfs/dbraw/zinc/26/95/76/1073269576.db2.gz CVIGOWOTZBWTHA-MPGHIAIKSA-N 1 0 440.520 -0.367 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160718405 1073269592 /nfs/dbraw/zinc/26/95/92/1073269592.db2.gz JNIXEJHVSIHNNV-HOTGVXAUSA-N 1 0 449.552 -0.569 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N(C)C1CCS(=O)(=O)CC1 ZINC001160718644 1073269761 /nfs/dbraw/zinc/26/97/61/1073269761.db2.gz PEBGWEGVAWZQNG-XIRDDKMYSA-N 1 0 444.598 -0.109 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N(C)C1CCS(=O)(=O)CC1 ZINC001160718955 1073269770 /nfs/dbraw/zinc/26/97/70/1073269770.db2.gz YPODKAPDBDIUTN-HOTGVXAUSA-N 1 0 430.571 -0.579 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160747197 1073269614 /nfs/dbraw/zinc/26/96/14/1073269614.db2.gz RGBAFZQYRJDORE-OALUTQOASA-N 1 0 448.520 -0.975 20 0 IBADRO CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CC1 ZINC001160751265 1073270253 /nfs/dbraw/zinc/27/02/53/1073270253.db2.gz SJUQNRSQMULWBH-KRWDZBQOSA-N 1 0 449.577 -0.011 20 0 IBADRO CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CC1 ZINC001160751268 1073270326 /nfs/dbraw/zinc/27/03/26/1073270326.db2.gz SJUQNRSQMULWBH-QGZVFWFLSA-N 1 0 449.577 -0.011 20 0 IBADRO CN(Cc1ccccc1Oc1ccccc1)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160751410 1073269741 /nfs/dbraw/zinc/26/97/41/1073269741.db2.gz UNBBYMCFSIIMEZ-UHFFFAOYSA-N 1 0 441.488 -0.255 20 0 IBADRO CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001160751773 1073270341 /nfs/dbraw/zinc/27/03/41/1073270341.db2.gz ZVHWJKRXYYNAJF-UHFFFAOYSA-N 1 0 440.570 -0.568 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]2OC[C@@H](C)[C@H]2C1)C(=O)CF ZINC001160756879 1073270172 /nfs/dbraw/zinc/27/01/72/1073270172.db2.gz VLIXQAAMFACVDY-UHLNNOBNSA-N 1 0 428.505 -0.619 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCc2nccn2CC1)C(=O)CF ZINC001160759841 1073270286 /nfs/dbraw/zinc/27/02/86/1073270286.db2.gz AVAZSDWQJWSPJG-DEYYWGMASA-N 1 0 438.504 -0.831 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)COC1(C)C ZINC001160765872 1073270348 /nfs/dbraw/zinc/27/03/48/1073270348.db2.gz HVRQUSDXWSZMRH-LLLHUVSDSA-N 1 0 428.489 -0.059 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766193 1073270192 /nfs/dbraw/zinc/27/01/92/1073270192.db2.gz LRJPWDJIPDFCFE-BBWFWOEESA-N 1 0 430.505 -0.111 20 0 IBADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766730 1073270356 /nfs/dbraw/zinc/27/03/56/1073270356.db2.gz NWVPLGXOBKBTBI-BBWFWOEESA-N 1 0 435.488 -0.432 20 0 IBADRO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766731 1073270161 /nfs/dbraw/zinc/27/01/61/1073270161.db2.gz NWVPLGXOBKBTBI-IXDOHACOSA-N 1 0 435.488 -0.432 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1C[NH2+]C[C@]13C(=O)Nc1ccccc13)C2 ZINC001160771586 1073270269 /nfs/dbraw/zinc/27/02/69/1073270269.db2.gz ATTATRWVTQUUIX-LRDNONRASA-N 1 0 433.486 -0.715 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]1C[NH2+]C[C@@]13C(=O)Nc1ccccc13)C2 ZINC001160771587 1073270216 /nfs/dbraw/zinc/27/02/16/1073270216.db2.gz ATTATRWVTQUUIX-MNVSYLFESA-N 1 0 433.486 -0.715 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[NH2+]C[C@]13C(=O)Nc1ccccc13)C2 ZINC001160771588 1073270277 /nfs/dbraw/zinc/27/02/77/1073270277.db2.gz ATTATRWVTQUUIX-PJSUUKDQSA-N 1 0 433.486 -0.715 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1C[NH2+]C[C@@]13C(=O)Nc1ccccc13)C2 ZINC001160771589 1073270223 /nfs/dbraw/zinc/27/02/23/1073270223.db2.gz ATTATRWVTQUUIX-YRVVQQKDSA-N 1 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425.507 -0.068 20 0 IBADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1)C2 ZINC001160772129 1073270586 /nfs/dbraw/zinc/27/05/86/1073270586.db2.gz OUWZKRNTVWFAFH-GDBMZVCRSA-N 1 0 425.507 -0.195 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1)C2 ZINC001160772130 1073270526 /nfs/dbraw/zinc/27/05/26/1073270526.db2.gz OUWZKRNTVWFAFH-GOEBONIOSA-N 1 0 425.507 -0.195 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1)C2 ZINC001160772131 1073270659 /nfs/dbraw/zinc/27/06/59/1073270659.db2.gz OUWZKRNTVWFAFH-HOCLYGCPSA-N 1 0 425.507 -0.195 20 0 IBADRO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1)C2 ZINC001160772132 1073270596 /nfs/dbraw/zinc/27/05/96/1073270596.db2.gz OUWZKRNTVWFAFH-ZBFHGGJFSA-N 1 0 425.507 -0.195 20 0 IBADRO O=C(c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772245 1073270694 /nfs/dbraw/zinc/27/06/94/1073270694.db2.gz QDYIREAXRLCPRB-UHFFFAOYSA-N 1 0 436.534 -0.162 20 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443.444 -0.649 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@]13C[NH2+]C[C@H]1CN(c1ccccc1)C3)C2 ZINC001160773825 1073271014 /nfs/dbraw/zinc/27/10/14/1073271014.db2.gz MDZABFWXSNDZDO-KNBMTAEXSA-N 1 0 433.530 -0.099 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CN(c1ccccc1)C3)C2 ZINC001160773826 1073270946 /nfs/dbraw/zinc/27/09/46/1073270946.db2.gz MDZABFWXSNDZDO-OXFYSEKESA-N 1 0 433.530 -0.099 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@]13C[NH2+]C[C@H]1CN(c1ccccc1)C3)C2 ZINC001160773827 1073271091 /nfs/dbraw/zinc/27/10/91/1073271091.db2.gz MDZABFWXSNDZDO-RIFZZMRRSA-N 1 0 433.530 -0.099 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@]13C[NH2+]C[C@@H]1CN(c1ccccc1)C3)C2 ZINC001160773828 1073270936 /nfs/dbraw/zinc/27/09/36/1073270936.db2.gz MDZABFWXSNDZDO-SYNHAJSKSA-N 1 0 433.530 -0.099 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@H]1NC3=O)C2 ZINC001160774237 1073270893 /nfs/dbraw/zinc/27/08/93/1073270893.db2.gz QZVVFVJQFWORPU-HRCADAONSA-N 1 0 433.486 -0.712 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@@H]1NC3=O)C2 ZINC001160774238 1073270970 /nfs/dbraw/zinc/27/09/70/1073270970.db2.gz QZVVFVJQFWORPU-JYJNAYRXSA-N 1 0 433.486 -0.712 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@H]1NC3=O)C2 ZINC001160774239 1073271036 /nfs/dbraw/zinc/27/10/36/1073271036.db2.gz QZVVFVJQFWORPU-OWCLPIDISA-N 1 0 433.486 -0.712 20 0 IBADRO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@@H]1NC3=O)C2 ZINC001160774240 1073271069 /nfs/dbraw/zinc/27/10/69/1073271069.db2.gz QZVVFVJQFWORPU-PMPSAXMXSA-N 1 0 433.486 -0.712 20 0 IBADRO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1)C2 ZINC001160777735 1073271101 /nfs/dbraw/zinc/27/11/01/1073271101.db2.gz GRPYNWVDOBQXNE-HMVOWMFESA-N 1 0 430.505 -0.185 20 0 IBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779443 1073271021 /nfs/dbraw/zinc/27/10/21/1073271021.db2.gz GFYFNBQGXZYXHB-SOHUWHGYSA-N 1 0 443.548 -0.480 20 0 IBADRO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001160788829 1073271626 /nfs/dbraw/zinc/27/16/26/1073271626.db2.gz VARNGLIBLLMJKN-QILLFSRXSA-N 1 0 445.476 -0.849 20 0 IBADRO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001160788830 1073271411 /nfs/dbraw/zinc/27/14/11/1073271411.db2.gz VARNGLIBLLMJKN-ZVZYQTTQSA-N 1 0 445.476 -0.849 20 0 IBADRO CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789421 1073271582 /nfs/dbraw/zinc/27/15/82/1073271582.db2.gz CMYDSOLGKZTMTR-BZSNNMDCSA-N 1 0 434.562 -0.136 20 0 IBADRO CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789422 1073271548 /nfs/dbraw/zinc/27/15/48/1073271548.db2.gz CMYDSOLGKZTMTR-SQNIBIBYSA-N 1 0 434.562 -0.136 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCN3C(=O)COC[C@H]3C2)cc1 ZINC001160790217 1073271616 /nfs/dbraw/zinc/27/16/16/1073271616.db2.gz LIXLTXZIIZKEKR-AEFFLSMTSA-N 1 0 438.550 -0.159 20 0 IBADRO Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCN3C(=O)COC[C@@H]3C2)cc1 ZINC001160790218 1073271608 /nfs/dbraw/zinc/27/16/08/1073271608.db2.gz LIXLTXZIIZKEKR-WMZOPIPTSA-N 1 0 438.550 -0.159 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790270 1073271596 /nfs/dbraw/zinc/27/15/96/1073271596.db2.gz MQWDWTGACLMIGJ-NEWSRXKRSA-N 1 0 432.521 -0.138 20 0 IBADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790271 1073271477 /nfs/dbraw/zinc/27/14/77/1073271477.db2.gz MQWDWTGACLMIGJ-WDSOQIARSA-N 1 0 432.521 -0.138 20 0 IBADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CCN4C(=O)COC[C@@H]4C3)c2)cc1 ZINC001160790946 1073271664 /nfs/dbraw/zinc/27/16/64/1073271664.db2.gz ULDVTVMWHODBHM-FUHWJXTLSA-N 1 0 447.517 -0.632 20 0 IBADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CCN4C(=O)COC[C@H]4C3)c2)cc1 ZINC001160790947 1073271643 /nfs/dbraw/zinc/27/16/43/1073271643.db2.gz ULDVTVMWHODBHM-SJLPKXTDSA-N 1 0 447.517 -0.632 20 0 IBADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](O)[C@H](NC(C)=O)C(=O)c3ccccc3)C[C@H]1C2 ZINC001160794268 1073271621 /nfs/dbraw/zinc/27/16/21/1073271621.db2.gz MQSKDEOICXLAMR-WSLRHPDSSA-N 1 0 443.500 -0.408 20 0 IBADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)C[C@H]1C2 ZINC001160799861 1073271656 /nfs/dbraw/zinc/27/16/56/1073271656.db2.gz ONLZXTGNLLEBEB-IGMOGCDKSA-N 1 0 427.505 -0.121 20 0 IBADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805771 1073272085 /nfs/dbraw/zinc/27/20/85/1073272085.db2.gz GMQWSRYESXUJSM-GOSISDBHSA-N 1 0 433.578 -0.171 20 0 IBADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160805772 1073272063 /nfs/dbraw/zinc/27/20/63/1073272063.db2.gz GMQWSRYESXUJSM-SFHVURJKSA-N 1 0 433.578 -0.171 20 0 IBADRO CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)CC2 ZINC001160806114 1073271953 /nfs/dbraw/zinc/27/19/53/1073271953.db2.gz LOWKIKIYWPIAAA-AWEZNQCLSA-N 1 0 429.481 -0.228 20 0 IBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160806822 1073272057 /nfs/dbraw/zinc/27/20/57/1073272057.db2.gz XERXBGYAWJJGHQ-SFHVURJKSA-N 1 0 438.536 -0.258 20 0 IBADRO CCOC(=O)[C@]12CN(C(=O)[C@@H](O)[C@H](NC(C)=O)C(=O)c3ccccc3)C[C@H]1C[NH2+]CC2 ZINC001160812385 1073271967 /nfs/dbraw/zinc/27/19/67/1073271967.db2.gz PFPJSXIBCAMTSU-KZFRKFNSSA-N 1 0 431.489 -0.264 20 0 IBADRO CCOC(=O)[C@]12CN(C(=O)c3cc(S(N)(=O)=O)cc(OC)c3OC)C[C@H]1C[NH2+]CC2 ZINC001160819788 1073272091 /nfs/dbraw/zinc/27/20/91/1073272091.db2.gz WNICPIJKVBDHAL-CWTRNNRKSA-N 1 0 441.506 -0.034 20 0 IBADRO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001160824803 1073272050 /nfs/dbraw/zinc/27/20/50/1073272050.db2.gz QJLYMBQZCPRCMX-HOCLYGCPSA-N 1 0 446.460 -0.511 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCN(c2ncccc2N)CC1 ZINC001160825669 1073272074 /nfs/dbraw/zinc/27/20/74/1073272074.db2.gz HRQBIYSUBSPCGH-ROUUACIJSA-N 1 0 445.568 -0.289 20 0 IBADRO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001160825875 1073271996 /nfs/dbraw/zinc/27/19/96/1073271996.db2.gz NXELJFNLIBINHF-BQFCYCMXSA-N 1 0 445.476 -0.849 20 0 IBADRO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001160825876 1073272035 /nfs/dbraw/zinc/27/20/35/1073272035.db2.gz NXELJFNLIBINHF-XYJFISCASA-N 1 0 445.476 -0.849 20 0 IBADRO Nc1cccnc1N1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001160826080 1073271974 /nfs/dbraw/zinc/27/19/74/1073271974.db2.gz RKDHGHSGDFFNNJ-ROUUACIJSA-N 1 0 428.493 -0.935 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCn2nncc2C1 ZINC001160834135 1073272006 /nfs/dbraw/zinc/27/20/06/1073272006.db2.gz YGLQMMBSWZUGEY-HKUYNNGSSA-N 1 0 427.509 -0.553 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC001160835198 1073272041 /nfs/dbraw/zinc/27/20/41/1073272041.db2.gz PGTFJHUDABSKAD-HKUYNNGSSA-N 1 0 425.489 -0.009 20 0 IBADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160838704 1073272067 /nfs/dbraw/zinc/27/20/67/1073272067.db2.gz LPCIFUDOKDHXCQ-INIZCTEOSA-N 1 0 438.540 -0.337 20 0 IBADRO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160838707 1073272113 /nfs/dbraw/zinc/27/21/13/1073272113.db2.gz LPCIFUDOKDHXCQ-MRXNPFEDSA-N 1 0 438.540 -0.337 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160839527 1073272432 /nfs/dbraw/zinc/27/24/32/1073272432.db2.gz QENCOKPQKWEBED-INIZCTEOSA-N 1 0 433.557 -0.016 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)C(N)=O ZINC001160843547 1073272457 /nfs/dbraw/zinc/27/24/57/1073272457.db2.gz PJPVEVBXYHPGHT-CMPLNLGQSA-N 1 0 431.419 -0.759 20 0 IBADRO COc1cccnc1N1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001160846578 1073272548 /nfs/dbraw/zinc/27/25/48/1073272548.db2.gz JHJKVOXDZFYICF-ROUUACIJSA-N 1 0 443.504 -0.509 20 0 IBADRO COC(=O)[C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CCN1C ZINC001160870416 1073272447 /nfs/dbraw/zinc/27/24/47/1073272447.db2.gz FJHFCIXWWAYKGB-LUKYLMHMSA-N 1 0 439.557 -0.829 20 0 IBADRO COC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CCN1C ZINC001160870418 1073272575 /nfs/dbraw/zinc/27/25/75/1073272575.db2.gz FJHFCIXWWAYKGB-QAETUUGQSA-N 1 0 439.557 -0.829 20 0 IBADRO COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)CCN1C ZINC001160870708 1073272501 /nfs/dbraw/zinc/27/25/01/1073272501.db2.gz JLYMUVGHXDOMAG-MSOLQXFVSA-N 1 0 449.533 -0.386 20 0 IBADRO COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)CCN1C ZINC001160870709 1073272562 /nfs/dbraw/zinc/27/25/62/1073272562.db2.gz JLYMUVGHXDOMAG-QZTJIDSGSA-N 1 0 449.533 -0.386 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(n2ccc3ccccc32)CC1 ZINC001160873225 1073272640 /nfs/dbraw/zinc/27/26/40/1073272640.db2.gz VSXAJWFKIPKMML-UHFFFAOYSA-N 1 0 428.493 -0.888 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160878361 1073272531 /nfs/dbraw/zinc/27/25/31/1073272531.db2.gz JXEAAARURODZRH-ZFWWWQNUSA-N 1 0 429.477 -0.476 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160890524 1073272409 /nfs/dbraw/zinc/27/24/09/1073272409.db2.gz LZHPBKDCTKGRMB-ROUUACIJSA-N 1 0 429.477 -0.401 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001160894064 1073272655 /nfs/dbraw/zinc/27/26/55/1073272655.db2.gz HQTILHKFIQPDBU-IBGZPJMESA-N 1 0 447.580 -0.252 20 0 IBADRO O=C(CN1CCN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CC1)NCCc1ccccc1 ZINC001160894952 1073272426 /nfs/dbraw/zinc/27/24/26/1073272426.db2.gz TVUCXOWXWAWDMB-IBGZPJMESA-N 1 0 427.549 -0.395 20 0 IBADRO O=C(CN1CCN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CC1)NCCc1ccccc1 ZINC001160894953 1073273031 /nfs/dbraw/zinc/27/30/31/1073273031.db2.gz TVUCXOWXWAWDMB-LJQANCHMSA-N 1 0 427.549 -0.395 20 0 IBADRO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCN(CC(=O)NCCc3ccccc3)CC2)COC1(C)C ZINC001160895040 1073273060 /nfs/dbraw/zinc/27/30/60/1073273060.db2.gz UIJAJGCBTUXBPD-HKUYNNGSSA-N 1 0 445.564 -0.200 20 0 IBADRO O=C(CN1CCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CC1)NCCc1ccccc1 ZINC001160895214 1073273045 /nfs/dbraw/zinc/27/30/45/1073273045.db2.gz WOOPOPPUOKJVLB-GOSISDBHSA-N 1 0 434.562 -0.734 20 0 IBADRO O=C(CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CC1)NCCc1ccccc1 ZINC001160895215 1073273009 /nfs/dbraw/zinc/27/30/09/1073273009.db2.gz WOOPOPPUOKJVLB-SFHVURJKSA-N 1 0 434.562 -0.734 20 0 IBADRO CN(C(=O)CN1CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1)c1ccccc1 ZINC001160895236 1073273148 /nfs/dbraw/zinc/27/31/48/1073273148.db2.gz WQXDUELTUCAIFR-GOSISDBHSA-N 1 0 438.536 -0.269 20 0 IBADRO CN(C(=O)CN1CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1)c1ccccc1 ZINC001160895237 1073273156 /nfs/dbraw/zinc/27/31/56/1073273156.db2.gz WQXDUELTUCAIFR-SFHVURJKSA-N 1 0 438.536 -0.269 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC001160898347 1073273109 /nfs/dbraw/zinc/27/31/09/1073273109.db2.gz XGCFCCIRRLEMSW-YOEHRIQHSA-N 1 0 427.509 -0.334 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC(n2nnc3ccccc3c2=O)CC1)C(N)=O ZINC001160903739 1073273074 /nfs/dbraw/zinc/27/30/74/1073273074.db2.gz ARWNIWWZSZSRCR-BLLLJJGKSA-N 1 0 429.481 -0.948 20 0 IBADRO O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001160905580 1073273039 /nfs/dbraw/zinc/27/30/39/1073273039.db2.gz QPVOKYRHXQAJIR-INIZCTEOSA-N 1 0 435.492 -0.107 20 0 IBADRO O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001160905581 1073273002 /nfs/dbraw/zinc/27/30/02/1073273002.db2.gz QPVOKYRHXQAJIR-MRXNPFEDSA-N 1 0 435.492 -0.107 20 0 IBADRO COC(=O)c1cn2c(n1)CN(C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001160905984 1073272993 /nfs/dbraw/zinc/27/29/93/1073272993.db2.gz XULNKSVQOLORTL-GJZGRUSLSA-N 1 0 448.524 -0.589 20 0 IBADRO CO[C@@H](CN1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1)c1ccccc1 ZINC001160906639 1073273131 /nfs/dbraw/zinc/27/31/31/1073273131.db2.gz JNEYMXCFDAGYSG-IHPCNDPISA-N 1 0 445.564 -0.027 20 0 IBADRO CO[C@H](CN1CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1)c1ccccc1 ZINC001160906640 1073272945 /nfs/dbraw/zinc/27/29/45/1073272945.db2.gz JNEYMXCFDAGYSG-YSIASYRMSA-N 1 0 445.564 -0.027 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CCO)CC(F)(F)F)C(=O)CF ZINC001160909094 1073272910 /nfs/dbraw/zinc/27/29/10/1073272910.db2.gz LREBXYZPZYFBGD-MJVIPROJSA-N 1 0 444.426 -0.729 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001160915738 1073273021 /nfs/dbraw/zinc/27/30/21/1073273021.db2.gz LAKPIRAJYFPYAJ-JSGCOSHPSA-N 1 0 438.916 -0.046 20 0 IBADRO O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160915769 1073272981 /nfs/dbraw/zinc/27/29/81/1073272981.db2.gz LXWUROXAMIWCFQ-INIZCTEOSA-N 1 0 436.509 -0.143 20 0 IBADRO O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160915770 1073273122 /nfs/dbraw/zinc/27/31/22/1073273122.db2.gz LXWUROXAMIWCFQ-MRXNPFEDSA-N 1 0 436.509 -0.143 20 0 IBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160921303 1073273636 /nfs/dbraw/zinc/27/36/36/1073273636.db2.gz VQFOOYCBXDLQGW-UHFFFAOYSA-N 1 0 427.502 -0.699 20 0 IBADRO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160935146 1073273588 /nfs/dbraw/zinc/27/35/88/1073273588.db2.gz KXAGKMLTDTYMAO-DVECYGJZSA-N 1 0 449.511 -0.303 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160937130 1073273707 /nfs/dbraw/zinc/27/37/07/1073273707.db2.gz TZMYLBMBHFQWSF-OALUTQOASA-N 1 0 441.488 -0.881 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001160940483 1073273604 /nfs/dbraw/zinc/27/36/04/1073273604.db2.gz OFDVVIPATCZFLN-HKUYNNGSSA-N 1 0 443.548 -0.256 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(=O)N(C)C[C@@H]1C ZINC001160940817 1073273551 /nfs/dbraw/zinc/27/35/51/1073273551.db2.gz HAAYELDSGFSZSC-KNBMTAEXSA-N 1 0 431.537 -0.498 20 0 IBADRO COCCOc1cccc(N2CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC2)c1 ZINC001160944174 1073273688 /nfs/dbraw/zinc/27/36/88/1073273688.db2.gz XNPMAFDMUNOTTL-MAUKXSAKSA-N 1 0 435.525 -0.542 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc32)C1)C(N)=O ZINC001160958959 1073273649 /nfs/dbraw/zinc/27/36/49/1073273649.db2.gz KHCXCQIHYVBOIK-CLWVCHIJSA-N 1 0 444.540 -0.271 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc32)C1 ZINC001160959580 1073273730 /nfs/dbraw/zinc/27/37/30/1073273730.db2.gz VOQSXPPSRWWTMG-DHMWGJHJSA-N 1 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1 0 430.461 -0.131 20 0 IBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H]4C[NH2+]C[C@H]4OC(C)=O)C3)C2=O)cc1 ZINC001160963264 1073273571 /nfs/dbraw/zinc/27/35/71/1073273571.db2.gz KIHOMSGXKZEQTI-FVJLSDCUSA-N 1 0 430.461 -0.131 20 0 IBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]4C[NH2+]C[C@H]4OC(C)=O)C3)C2=O)cc1 ZINC001160963265 1073273616 /nfs/dbraw/zinc/27/36/16/1073273616.db2.gz KIHOMSGXKZEQTI-LZJOCLMNSA-N 1 0 430.461 -0.131 20 0 IBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]4C[NH2+]C[C@@H]4OC(C)=O)C3)C2=O)cc1 ZINC001160963268 1073273674 /nfs/dbraw/zinc/27/36/74/1073273674.db2.gz KIHOMSGXKZEQTI-WWMYMODYSA-N 1 0 430.461 -0.131 20 0 IBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]4CCCN4C(=O)C[NH3+])C3)C2=O)cc1 ZINC001160964208 1073274035 /nfs/dbraw/zinc/27/40/35/1073274035.db2.gz MSIHWVGGHRCZPJ-HRAATJIYSA-N 1 0 429.477 -0.332 20 0 IBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]4CCCN4C(=O)C[NH3+])C3)C2=O)cc1 ZINC001160964209 1073274079 /nfs/dbraw/zinc/27/40/79/1073274079.db2.gz MSIHWVGGHRCZPJ-KKSFZXQISA-N 1 0 429.477 -0.332 20 0 IBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]([NH3+])CSCNC(C)=O)C3)C2=O)cc1 ZINC001160964244 1073274048 /nfs/dbraw/zinc/27/40/48/1073274048.db2.gz NSKFVIMSRIAKPH-JXFKEZNVSA-N 1 0 449.533 -0.128 20 0 IBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]([NH3+])CSCNC(C)=O)C3)C2=O)cc1 ZINC001160964245 1073274044 /nfs/dbraw/zinc/27/40/44/1073274044.db2.gz NSKFVIMSRIAKPH-OXJNMPFZSA-N 1 0 449.533 -0.128 20 0 IBADRO CCOC(=O)C1(C(=O)N2CC[C@@]3(C2)NC(=O)N(Cc2ccc(OC)cc2)C3=O)C[NH2+]C1 ZINC001160964722 1073274095 /nfs/dbraw/zinc/27/40/95/1073274095.db2.gz PLEJBUOGAXVIDL-NRFANRHFSA-N 1 0 430.461 -0.129 20 0 IBADRO CCOC(=O)C1(C(=O)N2CC[C@]3(C2)NC(=O)N(Cc2ccc(OC)cc2)C3=O)C[NH2+]C1 ZINC001160964723 1073274028 /nfs/dbraw/zinc/27/40/28/1073274028.db2.gz PLEJBUOGAXVIDL-OAQYLSRUSA-N 1 0 430.461 -0.129 20 0 IBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C3)C2=O)cc1 ZINC001160964742 1073274085 /nfs/dbraw/zinc/27/40/85/1073274085.db2.gz PXTRHZFAQUGPPY-FOIQADDNSA-N 1 0 432.481 -0.506 20 0 IBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C3)C2=O)cc1 ZINC001160964743 1073274060 /nfs/dbraw/zinc/27/40/60/1073274060.db2.gz PXTRHZFAQUGPPY-MGPUTAFESA-N 1 0 432.481 -0.506 20 0 IBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C3)C2=O)cc1 ZINC001160964744 1073274090 /nfs/dbraw/zinc/27/40/90/1073274090.db2.gz PXTRHZFAQUGPPY-QRWLVFNGSA-N 1 0 432.481 -0.506 20 0 IBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C3)C2=O)cc1 ZINC001160964745 1073274024 /nfs/dbraw/zinc/27/40/24/1073274024.db2.gz PXTRHZFAQUGPPY-YWZLYKJASA-N 1 0 432.481 -0.506 20 0 IBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]4NC(=O)CC45C[NH2+]C5)C3)C2=O)cc1 ZINC001160965476 1073274053 /nfs/dbraw/zinc/27/40/53/1073274053.db2.gz TWZQSIBXSBEWGY-HRAATJIYSA-N 1 0 427.461 -0.804 20 0 IBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H]4NC(=O)CC45C[NH2+]C5)C3)C2=O)cc1 ZINC001160965480 1073274075 /nfs/dbraw/zinc/27/40/75/1073274075.db2.gz TWZQSIBXSBEWGY-IERDGZPVSA-N 1 0 427.461 -0.804 20 0 IBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H]4NC(=O)CC45C[NH2+]C5)C3)C2=O)cc1 ZINC001160965483 1073274017 /nfs/dbraw/zinc/27/40/17/1073274017.db2.gz TWZQSIBXSBEWGY-IIBYNOLFSA-N 1 0 427.461 -0.804 20 0 IBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]4NC(=O)CC45C[NH2+]C5)C3)C2=O)cc1 ZINC001160965487 1073274072 /nfs/dbraw/zinc/27/40/72/1073274072.db2.gz TWZQSIBXSBEWGY-KKSFZXQISA-N 1 0 427.461 -0.804 20 0 IBADRO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)cc1 ZINC001160969235 1073274601 /nfs/dbraw/zinc/27/46/01/1073274601.db2.gz YARZPWZFWXEZEL-HRAATJIYSA-N 1 0 429.477 -0.414 20 0 IBADRO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)cc1 ZINC001160969236 1073274387 /nfs/dbraw/zinc/27/43/87/1073274387.db2.gz YARZPWZFWXEZEL-KKSFZXQISA-N 1 0 429.477 -0.414 20 0 IBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971734 1073274584 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425.436 -0.151 20 0 IBADRO COCCn1cc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)cn1 ZINC001161122069 1073278108 /nfs/dbraw/zinc/27/81/08/1073278108.db2.gz BPVKUIAMSMQLMW-IRXDYDNUSA-N 1 0 440.495 -0.115 20 0 IBADRO CN(C)c1ncc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)cn1 ZINC001161122126 1073278040 /nfs/dbraw/zinc/27/80/40/1073278040.db2.gz FZOIXAWEQXUUHA-HOTGVXAUSA-N 1 0 437.495 -0.102 20 0 IBADRO CC(=O)c1nc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)cn1C ZINC001161122180 1073278102 /nfs/dbraw/zinc/27/81/02/1073278102.db2.gz IDYGMOJYHLLBFT-GJZGRUSLSA-N 1 0 438.479 -0.021 20 0 IBADRO CN(C)c1nccc(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)n1 ZINC001161122200 1073278113 /nfs/dbraw/zinc/27/81/13/1073278113.db2.gz IXLMPPWSXVBDSG-HOCLYGCPSA-N 1 0 437.495 -0.102 20 0 IBADRO O=C(c1csc(CO)n1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122238 1073278089 /nfs/dbraw/zinc/27/80/89/1073278089.db2.gz KOSIMYGIITXRGP-STQMWFEESA-N 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ZINC001161123720 1073278814 /nfs/dbraw/zinc/27/88/14/1073278814.db2.gz RYIBOUYXUOCXLL-AVGNSLFASA-N 1 0 428.402 -0.101 20 0 IBADRO O=C([C@@H](CO)C(F)(F)F)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123724 1073278809 /nfs/dbraw/zinc/27/88/09/1073278809.db2.gz RYIBOUYXUOCXLL-XQQFMLRXSA-N 1 0 428.402 -0.101 20 0 IBADRO O=C([C@@H]1C[C@H](N2CCN(C(=O)c3[nH]nc4c3COCC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124116 1073278842 /nfs/dbraw/zinc/27/88/42/1073278842.db2.gz PFBIQHCNJVHMSK-BBRMVZONSA-N 1 0 438.479 -0.162 20 0 IBADRO O=C(C1=CNN2C=CNC=C12)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124132 1073278736 /nfs/dbraw/zinc/27/87/36/1073278736.db2.gz PUTCSIZOLJLRPN-HOCLYGCPSA-N 1 0 435.479 -0.651 20 0 IBADRO O=C(CC1CC(=O)NC(=O)C1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124401 1073278802 /nfs/dbraw/zinc/27/88/02/1073278802.db2.gz VRNZLUVQFUODOJ-GJZGRUSLSA-N 1 0 441.479 -0.828 20 0 IBADRO Nc1cccn(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)c1=O ZINC001161124458 1073278816 /nfs/dbraw/zinc/27/88/16/1073278816.db2.gz WLAMZZMDPUHNGV-HOCLYGCPSA-N 1 0 438.479 -0.827 20 0 IBADRO COCCn1nccc1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124507 1073279172 /nfs/dbraw/zinc/27/91/72/1073279172.db2.gz XDOZOQQXDPLREP-HOTGVXAUSA-N 1 0 440.495 -0.115 20 0 IBADRO O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124537 1073279214 /nfs/dbraw/zinc/27/92/14/1073279214.db2.gz YSJXVJWCPIWPCW-RYUDHWBXSA-N 1 0 426.424 -0.756 20 0 IBADRO CC1(C)CN[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CO1 ZINC001161124542 1073279164 /nfs/dbraw/zinc/27/91/64/1073279164.db2.gz YTNIEAHYSSTZGO-JYJNAYRXSA-N 1 0 429.512 -0.504 20 0 IBADRO O=C([C@@H]1C[C@H](N2CCN(C(=O)c3cc4n(n3)CCNC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124705 1073279359 /nfs/dbraw/zinc/27/93/59/1073279359.db2.gz UFWKKWOWIRMFLI-HOCLYGCPSA-N 1 0 437.495 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1 0 448.478 -0.211 20 0 IBADRO Nc1nn2cccnc2c1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161131608 1073279119 /nfs/dbraw/zinc/27/91/19/1073279119.db2.gz RDGCZODRCGBAAB-KBPBESRZSA-N 1 0 448.478 -0.333 20 0 IBADRO CCN(CCC(=O)OC)C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001161133071 1073279201 /nfs/dbraw/zinc/27/92/01/1073279201.db2.gz XDZRSWLNIGGWAY-DCGLDWPTSA-N 1 0 432.493 -0.701 20 0 IBADRO COC(=O)[C@]1(N)CCN(C(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)C1 ZINC001161138165 1073279273 /nfs/dbraw/zinc/27/92/73/1073279273.db2.gz OLIXRBVKXKKWFU-APWZRJJASA-N 1 0 435.506 -0.599 20 0 IBADRO COC(=O)[C@@]1(N)CCN(C(=O)[C@H]([NH3+])Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)C1 ZINC001161138166 1073279248 /nfs/dbraw/zinc/27/92/48/1073279248.db2.gz OLIXRBVKXKKWFU-VQIMIIECSA-N 1 0 435.506 -0.599 20 0 IBADRO COC(=O)[C@]1(N)CCN(C(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c2ccc(C)cc2)C1 ZINC001161139267 1073279844 /nfs/dbraw/zinc/27/98/44/1073279844.db2.gz 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RFXFBUXNLWRECN-UHFFFAOYSA-N 1 0 448.567 -0.815 20 0 IBADRO CNC(=O)NC1CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CC1 ZINC001161269266 1073283503 /nfs/dbraw/zinc/28/35/03/1073283503.db2.gz VTZMBMMRGDDEET-XIRDDKMYSA-N 1 0 438.573 -0.225 20 0 IBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269312 1073283487 /nfs/dbraw/zinc/28/34/87/1073283487.db2.gz XLCLYXAYNDSVOM-INIZCTEOSA-N 1 0 433.513 -0.653 20 0 IBADRO O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269446 1073283449 /nfs/dbraw/zinc/28/34/49/1073283449.db2.gz DHUHAIDAKABVQY-INIZCTEOSA-N 1 0 433.596 -0.183 20 0 IBADRO O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269447 1073283460 /nfs/dbraw/zinc/28/34/60/1073283460.db2.gz DHUHAIDAKABVQY-MRXNPFEDSA-N 1 0 433.596 -0.183 20 0 IBADRO CC(=O)N[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC001161269694 1073283495 /nfs/dbraw/zinc/28/34/95/1073283495.db2.gz 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1073284306 /nfs/dbraw/zinc/28/43/06/1073284306.db2.gz PSTGMQRGDLLQAM-CEXWTWQISA-N 1 0 430.505 -0.220 20 0 IBADRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])Cc2ccccc2)CCN1C(C)=O ZINC001161296124 1073284153 /nfs/dbraw/zinc/28/41/53/1073284153.db2.gz PSTGMQRGDLLQAM-QYZOEREBSA-N 1 0 430.505 -0.220 20 0 IBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCN(C(C)=O)[C@@H](C(=O)OC)C1 ZINC001161296147 1073284223 /nfs/dbraw/zinc/28/42/23/1073284223.db2.gz QBRUTOSRSLUIQF-HNKHHVNMSA-N 1 0 430.571 -0.170 20 0 IBADRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCN(C(C)=O)[C@H](C(=O)OC)C1 ZINC001161296149 1073284144 /nfs/dbraw/zinc/28/41/44/1073284144.db2.gz QBRUTOSRSLUIQF-TUUVXOQKSA-N 1 0 430.571 -0.170 20 0 IBADRO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)CCN1C(C)=O ZINC001161296334 1073284260 /nfs/dbraw/zinc/28/42/60/1073284260.db2.gz RMCQHBIJKAPLCK-HRCADAONSA-N 1 0 426.514 -0.648 20 0 IBADRO 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IBADRO CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161387120 1073285518 /nfs/dbraw/zinc/28/55/18/1073285518.db2.gz ABOLVSZPPMORLD-SFHVURJKSA-N 1 0 433.553 -0.056 20 0 IBADRO COc1cc(O[C@H]2CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)C2)ccn1 ZINC001161394867 1073285603 /nfs/dbraw/zinc/28/56/03/1073285603.db2.gz QENDVQWXBZBWII-FHWLQOOXSA-N 1 0 444.488 -0.177 20 0 IBADRO COc1cc(O[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)C2)ccn1 ZINC001161394868 1073286030 /nfs/dbraw/zinc/28/60/30/1073286030.db2.gz QENDVQWXBZBWII-QYZOEREBSA-N 1 0 444.488 -0.177 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001161438714 1073286407 /nfs/dbraw/zinc/28/64/07/1073286407.db2.gz MWBRHYCKUWESSP-RYRKJORJSA-N 1 0 429.521 -0.186 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(c2csc3ccccc32)CC1 ZINC001161452475 1073286806 /nfs/dbraw/zinc/28/68/06/1073286806.db2.gz RVVXDJJYZKVMKS-UHFFFAOYSA-N 1 0 445.545 -0.085 20 0 IBADRO 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445.480 -0.120 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)Cn1cnc3c1nc(NC(=O)C(C)C)[nH]c3=O)CC2 ZINC001161476562 1073286828 /nfs/dbraw/zinc/28/68/28/1073286828.db2.gz DKMQUGXRJKOCKU-ODXCJYRJSA-N 1 0 445.480 -0.120 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)Cn1cnc3c1nc(NC(=O)C(C)C)[nH]c3=O)CC2 ZINC001161476563 1073286737 /nfs/dbraw/zinc/28/67/37/1073286737.db2.gz DKMQUGXRJKOCKU-YUNKPMOVSA-N 1 0 445.480 -0.120 20 0 IBADRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)CC2 ZINC001161476908 1073286764 /nfs/dbraw/zinc/28/67/64/1073286764.db2.gz CNIAEYYPFUQZPH-KSVNGYGVSA-N 1 0 442.582 -0.252 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)CC2 ZINC001161476909 1073286779 /nfs/dbraw/zinc/28/67/79/1073286779.db2.gz CNIAEYYPFUQZPH-QOIOWGMHSA-N 1 0 442.582 -0.252 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)CC2 ZINC001161476910 1073286717 /nfs/dbraw/zinc/28/67/17/1073286717.db2.gz 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/nfs/dbraw/zinc/28/71/81/1073287181.db2.gz BMOGYQPKNDWXOZ-XSLAGTTESA-N 1 0 435.569 -0.145 20 0 IBADRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)CC2 ZINC001161482261 1073287187 /nfs/dbraw/zinc/28/71/87/1073287187.db2.gz VHZMITVMGSCOGZ-DWKCODDLSA-N 1 0 442.516 -0.254 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)CC2 ZINC001161482264 1073287201 /nfs/dbraw/zinc/28/72/01/1073287201.db2.gz VHZMITVMGSCOGZ-ORQYLMBXSA-N 1 0 442.516 -0.254 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)CC2 ZINC001161482268 1073287267 /nfs/dbraw/zinc/28/72/67/1073287267.db2.gz VHZMITVMGSCOGZ-OVCNXMPXSA-N 1 0 442.516 -0.254 20 0 IBADRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)CC2 ZINC001161482271 1073287273 /nfs/dbraw/zinc/28/72/73/1073287273.db2.gz VHZMITVMGSCOGZ-VOLVWJTLSA-N 1 0 442.516 -0.254 20 0 IBADRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC)CC2 ZINC001161483049 1073287244 /nfs/dbraw/zinc/28/72/44/1073287244.db2.gz YJOSWEDNXBLYTD-KBXCAEBGSA-N 1 0 427.479 -0.282 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC)CC2 ZINC001161483051 1073287227 /nfs/dbraw/zinc/28/72/27/1073287227.db2.gz YJOSWEDNXBLYTD-KDOFPFPSSA-N 1 0 427.479 -0.282 20 0 IBADRO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC)CC2 ZINC001161483053 1073287231 /nfs/dbraw/zinc/28/72/31/1073287231.db2.gz YJOSWEDNXBLYTD-KSSFIOAISA-N 1 0 427.479 -0.282 20 0 IBADRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC)CC2 ZINC001161483055 1073287221 /nfs/dbraw/zinc/28/72/21/1073287221.db2.gz YJOSWEDNXBLYTD-RDTXWAMCSA-N 1 0 427.479 -0.282 20 0 IBADRO COC(=O)c1cc(Cl)nc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)c1 ZINC001161484185 1073287247 /nfs/dbraw/zinc/28/72/47/1073287247.db2.gz AWVNWRSBZAKTLQ-YGOYTEALSA-N 1 0 435.828 -0.394 20 0 IBADRO CCOC(=O)c1cnc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)c(C)c1 ZINC001161484192 1073287195 /nfs/dbraw/zinc/28/71/95/1073287195.db2.gz BFFWNOFAPAYZMG-YNEHKIRRSA-N 1 0 429.437 -0.348 20 0 IBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1nc(Cl)nc2c1SCC2 ZINC001161484212 1073287167 /nfs/dbraw/zinc/28/71/67/1073287167.db2.gz BUXFOCRKLRFBDJ-NBEYISGCSA-N 1 0 436.885 -0.137 20 0 IBADRO CCOC(=O)c1cc(C)cc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)n1 ZINC001161484216 1073287173 /nfs/dbraw/zinc/28/71/73/1073287173.db2.gz BXWSYXSJDCFSKB-ZKYQVNSYSA-N 1 0 429.437 -0.348 20 0 IBADRO CCOC(=O)c1cc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)ncc1Cl ZINC001161484236 1073287177 /nfs/dbraw/zinc/28/71/77/1073287177.db2.gz CKYGIXPRKMXUSJ-DMDPSCGWSA-N 1 0 449.855 -0.003 20 0 IBADRO COC(=O)c1cnc(Cl)cc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161484257 1073287158 /nfs/dbraw/zinc/28/71/58/1073287158.db2.gz COSYZDJYABAJEY-MKPLZMMCSA-N 1 0 435.828 -0.394 20 0 IBADRO Cc1cc(Cl)nc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)c1C(N)=O ZINC001161484313 1073287617 /nfs/dbraw/zinc/28/76/17/1073287617.db2.gz DQZBFKBTNWYBSL-QXFUBDJGSA-N 1 0 434.844 -0.773 20 0 IBADRO COC(=O)c1c(C)cc(C)nc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161484351 1073287551 /nfs/dbraw/zinc/28/75/51/1073287551.db2.gz FGONGGFRZXGLQX-QJPTWQEYSA-N 1 0 429.437 -0.430 20 0 IBADRO CCOC(=O)c1ccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1C ZINC001161484430 1073287649 /nfs/dbraw/zinc/28/76/49/1073287649.db2.gz HWEDCWILOSHIFJ-OUCADQQQSA-N 1 0 429.437 -0.348 20 0 IBADRO CCOC(=O)c1cnc(Cl)cc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161484480 1073287580 /nfs/dbraw/zinc/28/75/80/1073287580.db2.gz JFJJNMJWRVVSER-UFGOTCBOSA-N 1 0 449.855 -0.003 20 0 IBADRO CCOC(=O)c1ccc(C)c(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)n1 ZINC001161484512 1073287535 /nfs/dbraw/zinc/28/75/35/1073287535.db2.gz KAJDKIMFAGMKOX-CYZMBNFOSA-N 1 0 429.437 -0.348 20 0 IBADRO COC(=O)c1cc(Cl)cc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)n1 ZINC001161484593 1073287509 /nfs/dbraw/zinc/28/75/09/1073287509.db2.gz NBPRBEDLMIDTRX-MKPLZMMCSA-N 1 0 435.828 -0.394 20 0 IBADRO COC(=O)c1ccc(Cl)nc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161484641 1073287587 /nfs/dbraw/zinc/28/75/87/1073287587.db2.gz OWXJILAOLNDTCK-IQJOONFLSA-N 1 0 435.828 -0.394 20 0 IBADRO CCOC(=O)Cc1cccnc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161484687 1073287555 /nfs/dbraw/zinc/28/75/55/1073287555.db2.gz QBKSWVCFOYOSAC-YNEHKIRRSA-N 1 0 429.437 -0.728 20 0 IBADRO COC(=O)c1nc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)ccc1Cl ZINC001161484838 1073287574 /nfs/dbraw/zinc/28/75/74/1073287574.db2.gz UEQRWRCFZGGHNW-IQJOONFLSA-N 1 0 435.828 -0.394 20 0 IBADRO COC(=O)c1cc(Cl)cnc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161484986 1073287568 /nfs/dbraw/zinc/28/75/68/1073287568.db2.gz VMXRCURNNOXVJZ-HBNTYKKESA-N 1 0 435.828 -0.394 20 0 IBADRO COC(=O)c1cc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)ncc1Cl ZINC001161484995 1073287598 /nfs/dbraw/zinc/28/75/98/1073287598.db2.gz VSPBQRVTDIKFBI-HOSYDEDBSA-N 1 0 435.828 -0.394 20 0 IBADRO CCOC(=O)c1cc(Cl)nc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)c1 ZINC001161485000 1073287522 /nfs/dbraw/zinc/28/75/22/1073287522.db2.gz WBEVDGRJVCWTGQ-OPQQBVKSSA-N 1 0 449.855 -0.003 20 0 IBADRO COC(=O)c1c(Cl)ccnc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161485007 1073287656 /nfs/dbraw/zinc/28/76/56/1073287656.db2.gz WEMJWECFISIROX-IVZWLZJFSA-N 1 0 435.828 -0.394 20 0 IBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1nc(Cl)nc2c1CSC2 ZINC001161485022 1073287593 /nfs/dbraw/zinc/28/75/93/1073287593.db2.gz WOSHASCOHFOXST-FXBDTBDDSA-N 1 0 436.885 -0.038 20 0 IBADRO COC(=O)c1cnc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)c(Cl)c1 ZINC001161485058 1073287624 /nfs/dbraw/zinc/28/76/24/1073287624.db2.gz XPHTUYHJFXQKEN-HBNTYKKESA-N 1 0 435.828 -0.394 20 0 IBADRO CCOC(=O)/C=C/c1cccnc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161485104 1073287635 /nfs/dbraw/zinc/28/76/35/1073287635.db2.gz ZWZNZBVNSBENJL-NXSDAKDHSA-N 1 0 441.448 -0.257 20 0 IBADRO CCOC(=O)c1nc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)ccc1Cl ZINC001161485214 1073287603 /nfs/dbraw/zinc/28/76/03/1073287603.db2.gz BLUJBWGMRZKJEA-HOSYDEDBSA-N 1 0 449.855 -0.003 20 0 IBADRO COC(=O)/C=C/c1cc(C)cnc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161485254 1073287609 /nfs/dbraw/zinc/28/76/09/1073287609.db2.gz CMCSXMBJTVMGAL-SZRIJTSKSA-N 1 0 441.448 -0.339 20 0 IBADRO COC(=O)c1cc(Cl)c(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1C ZINC001161485263 1073287628 /nfs/dbraw/zinc/28/76/28/1073287628.db2.gz CZVVCVQNHLXTSO-QJPTWQEYSA-N 1 0 449.855 -0.085 20 0 IBADRO CC(C)OC(=O)c1cccnc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161485271 1073287948 /nfs/dbraw/zinc/28/79/48/1073287948.db2.gz DETNPUNCGOBRJO-YNEHKIRRSA-N 1 0 429.437 -0.268 20 0 IBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1cc(C(=O)N2CCCC2)ccn1 ZINC001161485279 1073287902 /nfs/dbraw/zinc/28/79/02/1073287902.db2.gz DUTHAWVXNURFJB-GZBFAFLISA-N 1 0 440.464 -0.598 20 0 IBADRO CCCNC(=O)c1cccnc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161485292 1073287862 /nfs/dbraw/zinc/28/78/62/1073287862.db2.gz FKLNAPSIUPYDDQ-YNEHKIRRSA-N 1 0 428.453 -0.694 20 0 IBADRO CCOC(=O)/C=C/c1ccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1 ZINC001161485409 1073287949 /nfs/dbraw/zinc/28/79/49/1073287949.db2.gz GKOOEPKXMZAGCF-LELJZCFBSA-N 1 0 441.448 -0.257 20 0 IBADRO CC(C)(C)NC(=O)c1ccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1 ZINC001161485437 1073287952 /nfs/dbraw/zinc/28/79/52/1073287952.db2.gz HSAXWASQSPNRDL-OUCADQQQSA-N 1 0 442.480 -0.305 20 0 IBADRO CCCNC(=O)c1ccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1 ZINC001161485440 1073287869 /nfs/dbraw/zinc/28/78/69/1073287869.db2.gz HTVIGZFDRIUDGL-OUCADQQQSA-N 1 0 428.453 -0.694 20 0 IBADRO CNC(=O)c1nc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)ccc1Cl ZINC001161485490 1073287858 /nfs/dbraw/zinc/28/78/58/1073287858.db2.gz KAEKHJWHOIUZIR-IQJOONFLSA-N 1 0 434.844 -0.821 20 0 IBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1ncccc1CN1CCCC1 ZINC001161485500 1073287912 /nfs/dbraw/zinc/28/79/12/1073287912.db2.gz KKXGTTQKGWVXBO-RRFJBIMHSA-N 1 0 426.481 -0.238 20 0 IBADRO COC(=O)CSc1cccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)n1 ZINC001161485697 1073287929 /nfs/dbraw/zinc/28/79/29/1073287929.db2.gz NHTCUGZTCALZJQ-OPQQBVKSSA-N 1 0 447.477 -0.568 20 0 IBADRO COC(=O)c1ccc(Cl)c(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)n1 ZINC001161485773 1073287873 /nfs/dbraw/zinc/28/78/73/1073287873.db2.gz OQDGGBCJDIJLOV-JMJZKYOTSA-N 1 0 435.828 -0.394 20 0 IBADRO NC(=O)c1cc2ccccc2c(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)n1 ZINC001161485775 1073287935 /nfs/dbraw/zinc/28/79/35/1073287935.db2.gz OUODYOVVJQVFKP-IACUBPJLSA-N 1 0 436.432 -0.581 20 0 IBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1nc(Cl)cc2c1CNC2=O ZINC001161485783 1073287881 /nfs/dbraw/zinc/28/78/81/1073287881.db2.gz PCDWPJQTWMTENL-IQJOONFLSA-N 1 0 432.828 -0.937 20 0 IBADRO CCOC(=O)c1cc(C)cnc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161485911 1073287891 /nfs/dbraw/zinc/28/78/91/1073287891.db2.gz RZVUIPARUUNDBJ-YNEHKIRRSA-N 1 0 429.437 -0.348 20 0 IBADRO CCOC(=O)Cc1ccnc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)c1 ZINC001161485933 1073287941 /nfs/dbraw/zinc/28/79/41/1073287941.db2.gz SQVPPGSNVGRJIT-OUCADQQQSA-N 1 0 429.437 -0.728 20 0 IBADRO CCOC(=O)c1c(C)cc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1C ZINC001161485959 1073287925 /nfs/dbraw/zinc/28/79/25/1073287925.db2.gz UOAGFSQDFAGXAW-OUCADQQQSA-N 1 0 443.464 -0.040 20 0 IBADRO CCOC(=O)Cc1ccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1 ZINC001161485960 1073287886 /nfs/dbraw/zinc/28/78/86/1073287886.db2.gz UPPZGSALPRFQHX-OUCADQQQSA-N 1 0 429.437 -0.728 20 0 IBADRO CN(Cc1ccc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)nc1)C1CC1 ZINC001161485966 1073288419 /nfs/dbraw/zinc/28/84/19/1073288419.db2.gz UUTWTFFRFWERHZ-SQWLQELKSA-N 1 0 426.481 -0.239 20 0 IBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1[nH]c2cc(=O)[nH]c-2cc1Cl ZINC001161485991 1073288359 /nfs/dbraw/zinc/28/83/59/1073288359.db2.gz VSJAHWJTYYAGPE-HNBZJPLGSA-N 1 0 432.828 -0.686 20 0 IBADRO Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1-c1ccc(C(=O)NC2CC2)cn1 ZINC001161486004 1073288383 /nfs/dbraw/zinc/28/83/83/1073288383.db2.gz WHLZDLOINVPFKU-OUCADQQQSA-N 1 0 426.437 -0.941 20 0 IBADRO CN(C)C(=O)c1cnc(-n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)c(Cl)c1 ZINC001161486037 1073288444 /nfs/dbraw/zinc/28/84/44/1073288444.db2.gz XVYWEOYYPVBWMZ-QJPTWQEYSA-N 1 0 448.871 -0.478 20 0 IBADRO CCOC(=O)c1c(C)ccnc1-n1c2c(ncn2[C@H]2C[C@H]([NH3+])[C@@H](CO)O2)c(=O)nc1N ZINC001161486044 1073288401 /nfs/dbraw/zinc/28/84/01/1073288401.db2.gz YDOISXOMHTZMOQ-QJPTWQEYSA-N 1 0 429.437 -0.348 20 0 IBADRO Cc1cn([C@H]2C[C@H](Nc3ncccc3C(=O)N3CC[NH2+]CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001161490719 1073288304 /nfs/dbraw/zinc/28/83/04/1073288304.db2.gz RAVKRCHUIAMCRM-ARFHVFGLSA-N 1 0 430.465 -0.542 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491623 1073288766 /nfs/dbraw/zinc/28/87/66/1073288766.db2.gz GNTLCRUNSFUVQU-DMUMMCEESA-N 1 0 444.532 -0.513 20 0 IBADRO CO[C@@H]1CN(C(=O)c2ccc3nnc([C@H]4CN(c5ncccn5)CCN4C)n3c2)C[C@@H]1[NH3+] ZINC001161493054 1073288783 /nfs/dbraw/zinc/28/87/83/1073288783.db2.gz AVGVRSWDNNXMTM-GVDBMIGSSA-N 1 0 437.508 -0.190 20 0 IBADRO CO[C@@H]1CN(C(=O)c2ccc3nnc([C@@H]4CN(c5ncccn5)CCN4C)n3c2)C[C@@H]1[NH3+] ZINC001161493055 1073288818 /nfs/dbraw/zinc/28/88/18/1073288818.db2.gz AVGVRSWDNNXMTM-YESZJQIVSA-N 1 0 437.508 -0.190 20 0 IBADRO CO[C@@H]1CN(C(=O)c2ccc3nnc([C@H]4CN(C(=O)N(C)C)CCN4C)n3c2)C[C@@H]1[NH3+] ZINC001161493240 1073288738 /nfs/dbraw/zinc/28/87/38/1073288738.db2.gz HMNQRZNGJCYLMU-ARFHVFGLSA-N 1 0 430.513 -0.503 20 0 IBADRO CO[C@@H]1CN(C(=O)c2ccc3nnc([C@@H]4CN(C(=O)N(C)C)CCN4C)n3c2)C[C@@H]1[NH3+] ZINC001161493241 1073288748 /nfs/dbraw/zinc/28/87/48/1073288748.db2.gz HMNQRZNGJCYLMU-HRCADAONSA-N 1 0 430.513 -0.503 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC(N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001161498101 1073288905 /nfs/dbraw/zinc/28/89/05/1073288905.db2.gz HNZJHFPGCKDLBN-CAMMJAKZSA-N 1 0 437.585 -0.295 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC(N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001161498103 1073288844 /nfs/dbraw/zinc/28/88/44/1073288844.db2.gz HNZJHFPGCKDLBN-FPAYPSAMSA-N 1 0 437.585 -0.295 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001161498104 1073288950 /nfs/dbraw/zinc/28/89/50/1073288950.db2.gz HNZJHFPGCKDLBN-NBMJBFSESA-N 1 0 437.585 -0.295 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1Cn3ccnc3C13CC[NH2+]CC3)C[C@H]2C(=O)N(C)C ZINC001161506170 1073289275 /nfs/dbraw/zinc/28/92/75/1073289275.db2.gz BREKXAKLQSEPTF-DLBZAZTESA-N 1 0 428.537 -0.471 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]1Cn3ccnc3C13CC[NH2+]CC3)C[C@@H]2C(=O)N(C)C ZINC001161506171 1073289134 /nfs/dbraw/zinc/28/91/34/1073289134.db2.gz BREKXAKLQSEPTF-IAGOWNOFSA-N 1 0 428.537 -0.471 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1Cn3ccnc3C13CC[NH2+]CC3)C[C@H]2C(=O)N(C)C ZINC001161506172 1073289264 /nfs/dbraw/zinc/28/92/64/1073289264.db2.gz BREKXAKLQSEPTF-IRXDYDNUSA-N 1 0 428.537 -0.471 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1Cn3ccnc3C13CC[NH2+]CC3)C[C@@H]2C(=O)N(C)C ZINC001161506173 1073289222 /nfs/dbraw/zinc/28/92/22/1073289222.db2.gz BREKXAKLQSEPTF-SJORKVTESA-N 1 0 428.537 -0.471 20 0 IBADRO CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)N3C[C@@H]([NH3+])C4(COC4)C3)cn21 ZINC001161506377 1073289268 /nfs/dbraw/zinc/28/92/68/1073289268.db2.gz HAMPKODLWJYMHT-DLBZAZTESA-N 1 0 449.519 -0.188 20 0 IBADRO CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)N3C[C@@H]([NH3+])C4(COC4)C3)cn21 ZINC001161506378 1073289165 /nfs/dbraw/zinc/28/91/65/1073289165.db2.gz HAMPKODLWJYMHT-IAGOWNOFSA-N 1 0 449.519 -0.188 20 0 IBADRO CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)N3C[C@H]([NH3+])C4(COC4)C3)cn21 ZINC001161506379 1073289154 /nfs/dbraw/zinc/28/91/54/1073289154.db2.gz HAMPKODLWJYMHT-IRXDYDNUSA-N 1 0 449.519 -0.188 20 0 IBADRO CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)N3C[C@H]([NH3+])C4(COC4)C3)cn21 ZINC001161506380 1073289251 /nfs/dbraw/zinc/28/92/51/1073289251.db2.gz HAMPKODLWJYMHT-SJORKVTESA-N 1 0 449.519 -0.188 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1)C[C@@H]2C(=O)N(C)C ZINC001161506435 1073289237 /nfs/dbraw/zinc/28/92/37/1073289237.db2.gz IBDXLSOSDPQKHW-MSOLQXFVSA-N 1 0 430.505 -0.158 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1)C[C@H]2C(=O)N(C)C ZINC001161506436 1073289285 /nfs/dbraw/zinc/28/92/85/1073289285.db2.gz IBDXLSOSDPQKHW-ROUUACIJSA-N 1 0 430.505 -0.158 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)C[C@H]2C(=O)N(C)C ZINC001161506463 1073289102 /nfs/dbraw/zinc/28/91/02/1073289102.db2.gz ILKHPEGSXRHGSX-HKARXFIJSA-N 1 0 439.516 -0.509 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)C[C@@H]2C(=O)N(C)C ZINC001161506464 1073289126 /nfs/dbraw/zinc/28/91/26/1073289126.db2.gz ILKHPEGSXRHGSX-MFEFFIJZSA-N 1 0 439.516 -0.509 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)C[C@H]2C(=O)N(C)C ZINC001161506465 1073289231 /nfs/dbraw/zinc/28/92/31/1073289231.db2.gz ILKHPEGSXRHGSX-QQMNAOGKSA-N 1 0 439.516 -0.509 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)C[C@@H]2C(=O)N(C)C ZINC001161506466 1073289281 /nfs/dbraw/zinc/28/92/81/1073289281.db2.gz ILKHPEGSXRHGSX-YGKZAACZSA-N 1 0 439.516 -0.509 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]([NH3+])Cc1cn(C=O)c3ccccc13)C[C@H]2C(=O)N(C)C ZINC001161506475 1073289110 /nfs/dbraw/zinc/28/91/10/1073289110.db2.gz IWFZWJGMFWIEBI-RBUKOAKNSA-N 1 0 439.516 -0.056 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H]([NH3+])Cc1cn(C=O)c3ccccc13)C[C@@H]2C(=O)N(C)C ZINC001161506476 1073289207 /nfs/dbraw/zinc/28/92/07/1073289207.db2.gz IWFZWJGMFWIEBI-RTBURBONSA-N 1 0 439.516 -0.056 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161506694 1073289189 /nfs/dbraw/zinc/28/91/89/1073289189.db2.gz NXHSRCJNEOFRPE-MSOLQXFVSA-N 1 0 429.521 -0.932 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C[C@H]2C(=O)N(C)C ZINC001161506695 1073289142 /nfs/dbraw/zinc/28/91/42/1073289142.db2.gz NXHSRCJNEOFRPE-ROUUACIJSA-N 1 0 429.521 -0.932 20 0 IBADRO CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N4C[C@H]([NH3+])C5(COC5)C4)cn32)C1 ZINC001161507264 1073289257 /nfs/dbraw/zinc/28/92/57/1073289257.db2.gz RKORSEHETAZVBM-CVEARBPZSA-N 1 0 442.524 -0.501 20 0 IBADRO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4C[C@H]([NH3+])C5(COC5)C4)cn32)C1 ZINC001161507265 1073289176 /nfs/dbraw/zinc/28/91/76/1073289176.db2.gz RKORSEHETAZVBM-HOTGVXAUSA-N 1 0 442.524 -0.501 20 0 IBADRO CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N4C[C@@H]([NH3+])C5(COC5)C4)cn32)C1 ZINC001161507266 1073289605 /nfs/dbraw/zinc/28/96/05/1073289605.db2.gz RKORSEHETAZVBM-HZPDHXFCSA-N 1 0 442.524 -0.501 20 0 IBADRO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4C[C@@H]([NH3+])C5(COC5)C4)cn32)C1 ZINC001161507267 1073289708 /nfs/dbraw/zinc/28/97/08/1073289708.db2.gz RKORSEHETAZVBM-JKSUJKDBSA-N 1 0 442.524 -0.501 20 0 IBADRO CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)N4C[C@H]([NH3+])C5(COC5)C4)cn32)CC1 ZINC001161507376 1073289620 /nfs/dbraw/zinc/28/96/20/1073289620.db2.gz SJFQRALYSZRFMP-KRWDZBQOSA-N 1 0 433.534 -0.179 20 0 IBADRO CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)N4C[C@@H]([NH3+])C5(COC5)C4)cn32)CC1 ZINC001161507377 1073289627 /nfs/dbraw/zinc/28/96/27/1073289627.db2.gz SJFQRALYSZRFMP-QGZVFWFLSA-N 1 0 433.534 -0.179 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@@H]1NC3=O)C[C@H]2C(=O)N(C)C ZINC001161507693 1073289637 /nfs/dbraw/zinc/28/96/37/1073289637.db2.gz UKFPUZNJYDTFGO-FHWLQOOXSA-N 1 0 439.516 -0.506 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@H]1NC3=O)C[C@H]2C(=O)N(C)C ZINC001161507694 1073289587 /nfs/dbraw/zinc/28/95/87/1073289587.db2.gz UKFPUZNJYDTFGO-GBESFXJTSA-N 1 0 439.516 -0.506 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@H]1NC3=O)C[C@@H]2C(=O)N(C)C ZINC001161507695 1073289715 /nfs/dbraw/zinc/28/97/15/1073289715.db2.gz UKFPUZNJYDTFGO-IPMKNSEASA-N 1 0 439.516 -0.506 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@@H]1NC3=O)C[C@@H]2C(=O)N(C)C ZINC001161507696 1073289561 /nfs/dbraw/zinc/28/95/61/1073289561.db2.gz UKFPUZNJYDTFGO-OTWHNJEPSA-N 1 0 439.516 -0.506 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@H]2C(=O)N(C)C ZINC001161508373 1073289661 /nfs/dbraw/zinc/28/96/61/1073289661.db2.gz ZDGVATORTHXKPM-KBPBESRZSA-N 1 0 449.474 -0.442 20 0 IBADRO CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@@H]2C(=O)N(C)C ZINC001161508376 1073289609 /nfs/dbraw/zinc/28/96/09/1073289609.db2.gz ZDGVATORTHXKPM-KGLIPLIRSA-N 1 0 449.474 -0.442 20 0 IBADRO [NH3+][C@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)CC12COC2 ZINC001161509065 1073289671 /nfs/dbraw/zinc/28/96/71/1073289671.db2.gz HVZDNCGKESAWEN-BZSNNMDCSA-N 1 0 425.489 -0.340 20 0 IBADRO [NH3+][C@@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCC(=O)N2)CC12COC2 ZINC001161509068 1073289641 /nfs/dbraw/zinc/28/96/41/1073289641.db2.gz HVZDNCGKESAWEN-OKZBNKHCSA-N 1 0 425.489 -0.340 20 0 IBADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)c2ccccc2)C(=O)C1=O ZINC001161509427 1073289575 /nfs/dbraw/zinc/28/95/75/1073289575.db2.gz JTQUBMZOGJAXKM-HZPDHXFCSA-N 1 0 429.477 -0.686 20 0 IBADRO CCN1CCN(C(=O)N[C@@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)c2ccccc2)C(=O)C1=O ZINC001161509430 1073289633 /nfs/dbraw/zinc/28/96/33/1073289633.db2.gz JTQUBMZOGJAXKM-JKSUJKDBSA-N 1 0 429.477 -0.686 20 0 IBADRO CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511025 1073289649 /nfs/dbraw/zinc/28/96/49/1073289649.db2.gz VEIOZHMWVUSZSC-DFYYWFRZSA-N 1 0 444.557 -0.038 20 0 IBADRO CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511026 1073289677 /nfs/dbraw/zinc/28/96/77/1073289677.db2.gz VEIOZHMWVUSZSC-DZIWXPPMSA-N 1 0 444.557 -0.038 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161517514 1073290117 /nfs/dbraw/zinc/29/01/17/1073290117.db2.gz RQIHBLAKZMULOE-YOEHRIQHSA-N 1 0 435.500 -0.360 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H](n2cc(Br)cn2)C1 ZINC001161520031 1073290052 /nfs/dbraw/zinc/29/00/52/1073290052.db2.gz IAXGZAVMFRGPOI-YUTCNCBUSA-N 1 0 441.330 -0.127 20 0 IBADRO Cc1nc2c(o1)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C2 ZINC001161522791 1073289989 /nfs/dbraw/zinc/28/99/89/1073289989.db2.gz HMJPNGXKXQAVDT-FNFWKMNBSA-N 1 0 439.488 -0.231 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCn2ncc(Br)c2C1 ZINC001161526868 1073290078 /nfs/dbraw/zinc/29/00/78/1073290078.db2.gz UDTMZTUNRJMCGP-JQWIXIFHSA-N 1 0 427.303 -0.558 20 0 IBADRO CO[C@@H]1CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)[C@H](C)C1 ZINC001161534557 1073290161 /nfs/dbraw/zinc/29/01/61/1073290161.db2.gz OBQXSWKTJWJWGW-JSEZXORMSA-N 1 0 430.521 -0.086 20 0 IBADRO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001161568600 1073290195 /nfs/dbraw/zinc/29/01/95/1073290195.db2.gz PZWBMYLOJGDOAZ-CYBMUJFWSA-N 1 0 430.502 -0.280 20 0 IBADRO CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001161568601 1073290216 /nfs/dbraw/zinc/29/02/16/1073290216.db2.gz PZWBMYLOJGDOAZ-ZDUSSCGKSA-N 1 0 430.502 -0.280 20 0 IBADRO COC(=O)CC[C@@H]1COCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001161569759 1073290098 /nfs/dbraw/zinc/29/00/98/1073290098.db2.gz AVTWXRPBTZKVPT-IKGGRYGDSA-N 1 0 440.541 -0.434 20 0 IBADRO COC(=O)CC[C@H]1COCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001161569760 1073290069 /nfs/dbraw/zinc/29/00/69/1073290069.db2.gz AVTWXRPBTZKVPT-ULQDDVLXSA-N 1 0 440.541 -0.434 20 0 IBADRO CC(C)(C)Oc1ccc([C@H]2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2)cc1 ZINC001161571907 1073290013 /nfs/dbraw/zinc/29/00/13/1073290013.db2.gz XTYUGABJYWEBKF-INIZCTEOSA-N 1 0 447.536 -0.513 20 0 IBADRO CC(C)(C)Oc1ccc([C@@H]2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2)cc1 ZINC001161571909 1073290642 /nfs/dbraw/zinc/29/06/42/1073290642.db2.gz XTYUGABJYWEBKF-MRXNPFEDSA-N 1 0 447.536 -0.513 20 0 IBADRO COCCOC1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC001161572582 1073290493 /nfs/dbraw/zinc/29/04/93/1073290493.db2.gz UMRAVCXVRCYQRB-ICSRJNTNSA-N 1 0 434.537 -0.313 20 0 IBADRO COC(=O)c1cnc2c(c1)CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001161572953 1073290678 /nfs/dbraw/zinc/29/06/78/1073290678.db2.gz AKSMWFBNAHBTTK-HKUYNNGSSA-N 1 0 442.472 -0.494 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161602108 1073290482 /nfs/dbraw/zinc/29/04/82/1073290482.db2.gz QTYOEQWVIRSCRY-CADBVGFASA-N 1 0 438.500 -0.990 20 0 IBADRO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001161604395 1073290548 /nfs/dbraw/zinc/29/05/48/1073290548.db2.gz MTCYVQCKAIQOIF-RDJZCZTQSA-N 1 0 445.476 -0.808 20 0 IBADRO CCOC(=O)c1cn2nc([C@H]3CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C3)sc2n1 ZINC001161608050 1073290468 /nfs/dbraw/zinc/29/04/68/1073290468.db2.gz OCMYRXPAQHCSHN-SRVKXCTJSA-N 1 0 438.510 -0.502 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/nfs/dbraw/zinc/30/08/66/1073300866.db2.gz YRHSRHFAYQIJOG-KBPBESRZSA-N 1 0 432.506 -0.122 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1nc(Cl)cc(O[C@H]2CCOC2)n1 ZINC001162856607 1073301295 /nfs/dbraw/zinc/30/12/95/1073301295.db2.gz KDDLZLHCNOJNEZ-IHRRRGAJSA-N 1 0 449.899 -0.171 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1nc(Cl)cc(O[C@@H]2CCOC2)n1 ZINC001162856608 1073301344 /nfs/dbraw/zinc/30/13/44/1073301344.db2.gz KDDLZLHCNOJNEZ-RDBSUJKOSA-N 1 0 449.899 -0.171 20 0 IBADRO CCNC(=O)c1cc(Cl)nc(-n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001162857078 1073301320 /nfs/dbraw/zinc/30/13/20/1073301320.db2.gz KMEFWRSKHHVIPV-AAEUAGOBSA-N 1 0 434.888 -0.589 20 0 IBADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1-n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001162857466 1073301304 /nfs/dbraw/zinc/30/13/04/1073301304.db2.gz UJOSXQAKKLORTH-DRZSPHRISA-N 1 0 449.899 -0.062 20 0 IBADRO COC(=O)[C@H](C)c1c(Cl)ncnc1-n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001162857467 1073301289 /nfs/dbraw/zinc/30/12/89/1073301289.db2.gz UJOSXQAKKLORTH-WXHSDQCUSA-N 1 0 449.899 -0.062 20 0 IBADRO CCCNC(=O)c1cc(Cl)nc(-n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001162857711 1073301384 /nfs/dbraw/zinc/30/13/84/1073301384.db2.gz WJHJNXXUVCGSSF-JSGCOSHPSA-N 1 0 448.915 -0.198 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1ccnc(N)n1)C(N)=O ZINC001162858357 1073301311 /nfs/dbraw/zinc/30/13/11/1073301311.db2.gz CEOBXEAQTVSYNE-DZKIICNBSA-N 1 0 434.545 -0.415 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])Nc1cc(N)ncn1)C(N)=O ZINC001162858604 1073301276 /nfs/dbraw/zinc/30/12/76/1073301276.db2.gz KGXUVBUCOOCIBN-ZQIUZPCESA-N 1 0 434.545 -0.415 20 0 IBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001162947963 1073301827 /nfs/dbraw/zinc/30/18/27/1073301827.db2.gz DWXYRASFBBXDAD-DOMZBBRYSA-N 1 0 432.930 -0.442 20 0 IBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001162947964 1073301718 /nfs/dbraw/zinc/30/17/18/1073301718.db2.gz DWXYRASFBBXDAD-IUODEOHRSA-N 1 0 432.930 -0.442 20 0 IBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001162947965 1073301763 /nfs/dbraw/zinc/30/17/63/1073301763.db2.gz DWXYRASFBBXDAD-SWLSCSKDSA-N 1 0 432.930 -0.442 20 0 IBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001162947966 1073301863 /nfs/dbraw/zinc/30/18/63/1073301863.db2.gz DWXYRASFBBXDAD-WFASDCNBSA-N 1 0 432.930 -0.442 20 0 IBADRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001162948143 1073301774 /nfs/dbraw/zinc/30/17/74/1073301774.db2.gz IRWYXNBKGUDIGZ-LXZKKBNFSA-N 1 0 442.513 -0.472 20 0 IBADRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001162948145 1073301781 /nfs/dbraw/zinc/30/17/81/1073301781.db2.gz IRWYXNBKGUDIGZ-UNEWFSDZSA-N 1 0 442.513 -0.472 20 0 IBADRO C[NH+]1CCC2(CC1)CN(C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)CCO2 ZINC001162980491 1073302342 /nfs/dbraw/zinc/30/23/42/1073302342.db2.gz XSLSRMBJWRXNLP-UHFFFAOYSA-N 1 0 445.563 -0.308 20 0 IBADRO CCOC(=O)[C@@H](N)Cc1cn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cn1 ZINC001163411912 1073303751 /nfs/dbraw/zinc/30/37/51/1073303751.db2.gz KTLSAYCLFBKGFL-INIZCTEOSA-N 1 0 431.497 -0.232 20 0 IBADRO CS(=O)(=O)c1nc2c(c(NCC(=O)N[C@@H](Cc3ccccc3)C(N)=O)n1)CC[NH2+]CC2 ZINC001163421279 1073303647 /nfs/dbraw/zinc/30/36/47/1073303647.db2.gz HJTJNKZEGNAGEE-INIZCTEOSA-N 1 0 446.533 -0.807 20 0 IBADRO NC(=O)[C@H](Cc1cn(-c2cc(N)ncn2)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163428612 1073303808 /nfs/dbraw/zinc/30/38/08/1073303808.db2.gz RAYHFPPDUZUXPT-HOTGVXAUSA-N 1 0 433.476 -0.192 20 0 IBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1cccc(N2CCOCC2)[nH+]1)C(N)=O ZINC001163434780 1073304597 /nfs/dbraw/zinc/30/45/97/1073304597.db2.gz YRFOINHJGQTYCU-LIVBEALHSA-N 1 0 443.504 -0.002 20 0 IBADRO CNC(=O)[C@H](CCCC[NH3+])Nc1ncc(C(=O)OC)cc1S(=O)(=O)N1CCOCC1 ZINC001163445251 1073304613 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20 0 IBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc(S(N)(=O)=O)cc3F)CC2)C1 ZINC001164877330 721292455 /nfs/dbraw/zinc/29/24/55/721292455.db2.gz MOANWDKRNGAVRB-UHFFFAOYSA-N 1 0 429.518 -0.125 20 0 IBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(N4CCC[C@H]4C(N)=O)ncn3)CC2)C1 ZINC001164877554 721290289 /nfs/dbraw/zinc/29/02/89/721290289.db2.gz NRHVWVZIDNZNRQ-KRWDZBQOSA-N 1 0 445.568 -0.062 20 0 IBADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(N4CCC[C@@H]4C(N)=O)ncn3)CC2)C1 ZINC001164877558 721289670 /nfs/dbraw/zinc/28/96/70/721289670.db2.gz NRHVWVZIDNZNRQ-QGZVFWFLSA-N 1 0 445.568 -0.062 20 0 IBADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164927139 721851561 /nfs/dbraw/zinc/85/15/61/721851561.db2.gz JLUFPVOQOVUDLB-MSOLQXFVSA-N 1 0 432.573 -0.241 20 0 IBADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164927142 721851772 /nfs/dbraw/zinc/85/17/72/721851772.db2.gz JLUFPVOQOVUDLB-QZTJIDSGSA-N 1 0 432.573 -0.241 20 0 IBADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164927143 721851554 /nfs/dbraw/zinc/85/15/54/721851554.db2.gz JLUFPVOQOVUDLB-ROUUACIJSA-N 1 0 432.573 -0.241 20 0 IBADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001164927145 721851749 /nfs/dbraw/zinc/85/17/49/721851749.db2.gz JLUFPVOQOVUDLB-ZWKOTPCHSA-N 1 0 432.573 -0.241 20 0 IBADRO CN1CCN(C(=O)C2CCN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC2)CC1 ZINC001165083647 1073307880 /nfs/dbraw/zinc/30/78/80/1073307880.db2.gz YWMGAOFFYUWBNV-UHFFFAOYSA-N 1 0 436.582 -0.441 20 0 IBADRO CN1CCN(Cc2cc3nc(N4C[C@@H](O)[C@@H]([NH3+])C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147086 1073308576 /nfs/dbraw/zinc/30/85/76/1073308576.db2.gz GQYJGHLMTZLVAM-DOTOQJQBSA-N 1 0 433.582 -0.217 20 0 IBADRO CN1CCN(Cc2cc3nc(N4C[C@@H]([NH3+])[C@H](O)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147090 1073308609 /nfs/dbraw/zinc/30/86/09/1073308609.db2.gz GQYJGHLMTZLVAM-NVXWUHKLSA-N 1 0 433.582 -0.217 20 0 IBADRO CN1CCN(Cc2cc3nc(N4C[C@H]([NH3+])[C@@H](O)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147096 1073308593 /nfs/dbraw/zinc/30/85/93/1073308593.db2.gz GQYJGHLMTZLVAM-RDJZCZTQSA-N 1 0 433.582 -0.217 20 0 IBADRO CN1CCN(Cc2cc3nc(N4C[C@@H]([NH3+])[C@@H](O)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165147103 1073308549 /nfs/dbraw/zinc/30/85/49/1073308549.db2.gz GQYJGHLMTZLVAM-WBVHZDCISA-N 1 0 433.582 -0.217 20 0 IBADRO NS(=O)(=O)c1ccc(N2CCN([C@@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nc1 ZINC001165188313 1073308430 /nfs/dbraw/zinc/30/84/30/1073308430.db2.gz AFVARYNAOWMQOZ-DZGCQCFKSA-N 1 0 444.508 -0.551 20 0 IBADRO NS(=O)(=O)c1ccc(N2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nc1 ZINC001165188314 1073308499 /nfs/dbraw/zinc/30/84/99/1073308499.db2.gz AFVARYNAOWMQOZ-HIFRSBDPSA-N 1 0 444.508 -0.551 20 0 IBADRO NS(=O)(=O)c1ccc(N2CCN([C@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nc1 ZINC001165188315 1073308481 /nfs/dbraw/zinc/30/84/81/1073308481.db2.gz AFVARYNAOWMQOZ-UKRRQHHQSA-N 1 0 444.508 -0.551 20 0 IBADRO NC(=O)c1cc(Cl)nc(N2CCN([C@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)n1 ZINC001165188429 1073308589 /nfs/dbraw/zinc/30/85/89/1073308589.db2.gz CCIPKDAUULKRJH-DGCLKSJQSA-N 1 0 443.886 -0.051 20 0 IBADRO NC(=O)c1cc(Cl)nc(N2CCN([C@@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)n1 ZINC001165188430 1073308514 /nfs/dbraw/zinc/30/85/14/1073308514.db2.gz CCIPKDAUULKRJH-WCQYABFASA-N 1 0 443.886 -0.051 20 0 IBADRO NC(=O)c1cc(Cl)nc(N2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)n1 ZINC001165188431 1073308623 /nfs/dbraw/zinc/30/86/23/1073308623.db2.gz CCIPKDAUULKRJH-YPMHNXCESA-N 1 0 443.886 -0.051 20 0 IBADRO NC(=O)c1ncc(Cl)nc1N1CCN([C@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001165188909 1073308506 /nfs/dbraw/zinc/30/85/06/1073308506.db2.gz GFGLPRXRDSQMIH-NEPJUHHUSA-N 1 0 443.886 -0.051 20 0 IBADRO NC(=O)c1ncc(Cl)nc1N1CCN([C@@H]2C[NH2+][C@@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001165188910 1073308544 /nfs/dbraw/zinc/30/85/44/1073308544.db2.gz GFGLPRXRDSQMIH-NWDGAFQWSA-N 1 0 443.886 -0.051 20 0 IBADRO NC(=O)c1ncc(Cl)nc1N1CCN([C@H]2C[NH2+][C@@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001165188911 1073308489 /nfs/dbraw/zinc/30/84/89/1073308489.db2.gz GFGLPRXRDSQMIH-VXGBXAGGSA-N 1 0 443.886 -0.051 20 0 IBADRO NS(=O)(=O)c1cccc(N2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)n1 ZINC001165189046 1073308457 /nfs/dbraw/zinc/30/84/57/1073308457.db2.gz AZIFPOZQOLDHSK-KGLIPLIRSA-N 1 0 444.508 -0.551 20 0 IBADRO NS(=O)(=O)c1cccc(N2CCN([C@@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)n1 ZINC001165189047 1073308521 /nfs/dbraw/zinc/30/85/21/1073308521.db2.gz AZIFPOZQOLDHSK-UONOGXRCSA-N 1 0 444.508 -0.551 20 0 IBADRO NS(=O)(=O)c1cccc(N2CCN([C@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)n1 ZINC001165189048 1073308591 /nfs/dbraw/zinc/30/85/91/1073308591.db2.gz AZIFPOZQOLDHSK-ZIAGYGMSSA-N 1 0 444.508 -0.551 20 0 IBADRO NS(=O)(=O)c1ccnc(N2CCN([C@@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)c1 ZINC001165189439 1073308912 /nfs/dbraw/zinc/30/89/12/1073308912.db2.gz DPMGQMCRBRKLIO-DZGCQCFKSA-N 1 0 444.508 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CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@H]1C(F)(F)F ZINC001168521906 1072753439 /nfs/dbraw/zinc/75/34/39/1072753439.db2.gz HCVFOBJUBODODX-WTPNQPAHSA-N 1 0 430.420 -0.294 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@@H]1C(F)(F)F ZINC001168521908 1072753424 /nfs/dbraw/zinc/75/34/24/1072753424.db2.gz HCVFOBJUBODODX-YKGSMLRWSA-N 1 0 430.420 -0.294 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@@H]1C(F)(F)F ZINC001168537733 1073076457 /nfs/dbraw/zinc/07/64/57/1073076457.db2.gz FDDRQXAZRNCITR-GHMZBOCLSA-N 1 0 439.435 -0.376 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@H]1C(F)(F)F ZINC001168537736 1073076484 /nfs/dbraw/zinc/07/64/84/1073076484.db2.gz FDDRQXAZRNCITR-MNOVXSKESA-N 1 0 439.435 -0.376 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@H]1C(F)(F)F ZINC001168537739 1073076472 /nfs/dbraw/zinc/07/64/72/1073076472.db2.gz FDDRQXAZRNCITR-QWRGUYRKSA-N 1 0 439.435 -0.376 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C[C@@H]1C(F)(F)F ZINC001168537741 1073076696 /nfs/dbraw/zinc/07/66/96/1073076696.db2.gz FDDRQXAZRNCITR-WDEREUQCSA-N 1 0 439.435 -0.376 20 0 IBADRO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCC(O)(CN3CCOCC3)CC2)c1 ZINC001168613016 1073121503 /nfs/dbraw/zinc/12/15/03/1073121503.db2.gz NZJNCXCFHFSTJH-UHFFFAOYSA-N 1 0 426.539 -0.178 20 0 IBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168694360 1073163016 /nfs/dbraw/zinc/16/30/16/1073163016.db2.gz XBJCYCVZJCRMEG-GESXYEBJSA-N 1 0 432.868 -0.254 20 0 IBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168694361 1073163165 /nfs/dbraw/zinc/16/31/65/1073163165.db2.gz XBJCYCVZJCRMEG-QTPBGHOSSA-N 1 0 432.868 -0.254 20 0 IBADRO COC(=O)C1(C)CCC(n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001168752357 1073259145 /nfs/dbraw/zinc/25/91/45/1073259145.db2.gz JUFQSJJGRYDPMJ-CPVIWHAXSA-N 1 0 436.469 -0.953 20 0 IBADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001168792998 1073592264 /nfs/dbraw/zinc/59/22/64/1073592264.db2.gz YXCRJXWCEXYLQK-FQEVSTJZSA-N 1 0 434.518 -0.049 20 0 IBADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001168793000 1073592191 /nfs/dbraw/zinc/59/21/91/1073592191.db2.gz YXCRJXWCEXYLQK-HXUWFJFHSA-N 1 0 434.518 -0.049 20 0 IBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168902385 1073593984 /nfs/dbraw/zinc/59/39/84/1073593984.db2.gz AJXYRJZTTKOZRW-INIZCTEOSA-N 1 0 434.493 -0.429 20 0 IBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168902386 1073594039 /nfs/dbraw/zinc/59/40/39/1073594039.db2.gz AJXYRJZTTKOZRW-MRXNPFEDSA-N 1 0 434.493 -0.429 20 0 IBADRO COc1ccc(CN2CC[C@@H]([NH2+]CC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CC2=O)cc1 ZINC001168919590 1073593946 /nfs/dbraw/zinc/59/39/46/1073593946.db2.gz GETFUGFQQRSUIS-AEFFLSMTSA-N 1 0 445.520 -0.632 20 0 IBADRO COc1ccc(CN2CC[C@H]([NH2+]CC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CC2=O)cc1 ZINC001168919591 1073594005 /nfs/dbraw/zinc/59/40/05/1073594005.db2.gz GETFUGFQQRSUIS-WMZOPIPTSA-N 1 0 445.520 -0.632 20 0 IBADRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169122818 1073595235 /nfs/dbraw/zinc/59/52/35/1073595235.db2.gz FFUADAPRJLTPKK-HXOKRWIQSA-N 1 0 431.537 -0.376 20 0 IBADRO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169122819 1073595017 /nfs/dbraw/zinc/59/50/17/1073595017.db2.gz FFUADAPRJLTPKK-YGJKTCCFSA-N 1 0 431.537 -0.376 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCNC(=O)N1CCOCC1 ZINC001169171201 1073596352 /nfs/dbraw/zinc/59/63/52/1073596352.db2.gz CQDCJTLTOOTFRS-HNNXBMFYSA-N 1 0 435.529 -0.376 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCNC(=O)N1CCOCC1 ZINC001169171202 1073596298 /nfs/dbraw/zinc/59/62/98/1073596298.db2.gz CQDCJTLTOOTFRS-OAHLLOKOSA-N 1 0 435.529 -0.376 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC001169174534 1073596448 /nfs/dbraw/zinc/59/64/48/1073596448.db2.gz JYCWUMXWMISTGG-INIZCTEOSA-N 1 0 433.557 -0.254 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC001169174535 1073596328 /nfs/dbraw/zinc/59/63/28/1073596328.db2.gz JYCWUMXWMISTGG-MRXNPFEDSA-N 1 0 433.557 -0.254 20 0 IBADRO CC(=O)N[C@@H](CCCC[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(N)=O ZINC001169178454 1073596374 /nfs/dbraw/zinc/59/63/74/1073596374.db2.gz XUOBMHOMLWKNRS-HOCLYGCPSA-N 1 0 449.556 -0.258 20 0 IBADRO CC(=O)N[C@@H](CCCC[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(N)=O ZINC001169178455 1073596438 /nfs/dbraw/zinc/59/64/38/1073596438.db2.gz XUOBMHOMLWKNRS-ZBFHGGJFSA-N 1 0 449.556 -0.258 20 0 IBADRO Cn1nc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)ccc1=O ZINC001169180138 1073596277 /nfs/dbraw/zinc/59/62/77/1073596277.db2.gz BKRYWBNQFXCNAB-UHFFFAOYSA-N 1 0 445.556 -0.147 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169180532 1073596362 /nfs/dbraw/zinc/59/63/62/1073596362.db2.gz HJIGNGSDDKPJIG-IHRRRGAJSA-N 1 0 436.513 -0.352 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169180534 1073596562 /nfs/dbraw/zinc/59/65/62/1073596562.db2.gz HJIGNGSDDKPJIG-RDBSUJKOSA-N 1 0 436.513 -0.352 20 0 IBADRO Cn1cc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)ncc1=O ZINC001169180801 1073596518 /nfs/dbraw/zinc/59/65/18/1073596518.db2.gz RVILZCSFRCHMTO-UHFFFAOYSA-N 1 0 445.556 -0.147 20 0 IBADRO N=C(CCSCc1csc(NC(N)=[NH2+])n1)N(c1c[n+]([O-])ccn1)S(N)(=O)=O ZINC001169180810 1073596581 /nfs/dbraw/zinc/59/65/81/1073596581.db2.gz SFDZDZOYWPAJFK-UHFFFAOYSA-N 1 0 431.529 -0.212 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC001169181504 1073596540 /nfs/dbraw/zinc/59/65/40/1073596540.db2.gz QHGHYNRJJBNMQH-KBPBESRZSA-N 1 0 426.543 -0.384 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC001169181505 1073596550 /nfs/dbraw/zinc/59/65/50/1073596550.db2.gz QHGHYNRJJBNMQH-KGLIPLIRSA-N 1 0 426.543 -0.384 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC001169181506 1073597001 /nfs/dbraw/zinc/59/70/01/1073597001.db2.gz QHGHYNRJJBNMQH-UONOGXRCSA-N 1 0 426.543 -0.384 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC001169181507 1073597130 /nfs/dbraw/zinc/59/71/30/1073597130.db2.gz QHGHYNRJJBNMQH-ZIAGYGMSSA-N 1 0 426.543 -0.384 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001169181675 1073597018 /nfs/dbraw/zinc/59/70/18/1073597018.db2.gz SMOQBCAJMBFPEY-HNNXBMFYSA-N 1 0 440.570 -0.688 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN1CCS(=O)(=O)CC1 ZINC001169181678 1073597033 /nfs/dbraw/zinc/59/70/33/1073597033.db2.gz SMOQBCAJMBFPEY-OAHLLOKOSA-N 1 0 440.570 -0.688 20 0 IBADRO Cn1nccc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)c1=O ZINC001169182161 1073596964 /nfs/dbraw/zinc/59/69/64/1073596964.db2.gz QNGSRYAGASFUPS-UHFFFAOYSA-N 1 0 445.556 -0.147 20 0 IBADRO Cn1cc(N(C(=N)CCSCc2csc(NC(N)=[NH2+])n2)S(N)(=O)=O)cnc1=O ZINC001169182444 1073597055 /nfs/dbraw/zinc/59/70/55/1073597055.db2.gz VCPVFXLQSJVSSW-UHFFFAOYSA-N 1 0 445.556 -0.147 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCOCCN1C(=O)C=CC1=O ZINC001169183118 1073597090 /nfs/dbraw/zinc/59/70/90/1073597090.db2.gz IAQVNMTYHHXLIG-HNNXBMFYSA-N 1 0 446.508 -0.476 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCOCCN1C(=O)C=CC1=O ZINC001169183119 1073597045 /nfs/dbraw/zinc/59/70/45/1073597045.db2.gz IAQVNMTYHHXLIG-OAHLLOKOSA-N 1 0 446.508 -0.476 20 0 IBADRO CNC(=O)CN1CCC([NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169184161 1073597098 /nfs/dbraw/zinc/59/70/98/1073597098.db2.gz OPJNNOWQNLMAPL-HNNXBMFYSA-N 1 0 433.557 -0.208 20 0 IBADRO CNC(=O)CN1CCC([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169184162 1073596993 /nfs/dbraw/zinc/59/69/93/1073596993.db2.gz OPJNNOWQNLMAPL-OAHLLOKOSA-N 1 0 433.557 -0.208 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001169190661 1073595989 /nfs/dbraw/zinc/59/59/89/1073595989.db2.gz JBKCLJNNNFNXAX-HNNXBMFYSA-N 1 0 432.525 -0.027 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001169190662 1073595830 /nfs/dbraw/zinc/59/58/30/1073595830.db2.gz JBKCLJNNNFNXAX-OAHLLOKOSA-N 1 0 432.525 -0.027 20 0 IBADRO CC(C)C[C@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)NCC(N)=O ZINC001169194393 1073595942 /nfs/dbraw/zinc/59/59/42/1073595942.db2.gz YBGGOLLEOSRQBH-CABCVRRESA-N 1 0 449.556 -0.402 20 0 IBADRO CC(C)C[C@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)NCC(N)=O ZINC001169194394 1073595717 /nfs/dbraw/zinc/59/57/17/1073595717.db2.gz YBGGOLLEOSRQBH-GJZGRUSLSA-N 1 0 449.556 -0.402 20 0 IBADRO CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(N)=O ZINC001169195162 1073595877 /nfs/dbraw/zinc/59/58/77/1073595877.db2.gz IENGTWJHMYUKFO-ILXRZTDVSA-N 1 0 449.556 -0.403 20 0 IBADRO CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(N)=O ZINC001169195165 1073595865 /nfs/dbraw/zinc/59/58/65/1073595865.db2.gz IENGTWJHMYUKFO-KKUMJFAQSA-N 1 0 449.556 -0.403 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN1CCCS1(=O)=O ZINC001169197396 1073595700 /nfs/dbraw/zinc/59/57/00/1073595700.db2.gz VRYZWXUGCNJAAK-AWEZNQCLSA-N 1 0 426.543 -0.382 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN1CCCS1(=O)=O ZINC001169197397 1073595729 /nfs/dbraw/zinc/59/57/29/1073595729.db2.gz VRYZWXUGCNJAAK-CQSZACIVSA-N 1 0 426.543 -0.382 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC001169201949 1073596387 /nfs/dbraw/zinc/59/63/87/1073596387.db2.gz NCMRZJLPNOQHOE-INIZCTEOSA-N 1 0 433.557 -0.302 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC001169201951 1073596496 /nfs/dbraw/zinc/59/64/96/1073596496.db2.gz NCMRZJLPNOQHOE-MRXNPFEDSA-N 1 0 433.557 -0.302 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(N2CCN(C)C(=O)C2)C1 ZINC001169205455 1073598223 /nfs/dbraw/zinc/59/82/23/1073598223.db2.gz FEETWIHYYCCWNA-HNNXBMFYSA-N 1 0 431.541 -0.549 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CC(N2CCN(C)C(=O)C2)C1 ZINC001169205457 1073598321 /nfs/dbraw/zinc/59/83/21/1073598321.db2.gz FEETWIHYYCCWNA-OAHLLOKOSA-N 1 0 431.541 -0.549 20 0 IBADRO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001169209265 1073597145 /nfs/dbraw/zinc/59/71/45/1073597145.db2.gz ULUPMZFFIHREDR-HNNXBMFYSA-N 1 0 433.557 -0.126 20 0 IBADRO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001169209266 1073597073 /nfs/dbraw/zinc/59/70/73/1073597073.db2.gz 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CCOC(=O)[C@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCO)CO1 ZINC001169345450 1073598658 /nfs/dbraw/zinc/59/86/58/1073598658.db2.gz WTJLFNIGUBBYIX-RBUKOAKNSA-N 1 0 437.530 -0.238 20 0 IBADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCO)CO1 ZINC001169345452 1073598766 /nfs/dbraw/zinc/59/87/66/1073598766.db2.gz WTJLFNIGUBBYIX-RTBURBONSA-N 1 0 437.530 -0.238 20 0 IBADRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CO1 ZINC001169369497 1073599327 /nfs/dbraw/zinc/59/93/27/1073599327.db2.gz YPHOCABRWZHLLC-DFJGONKVSA-N 1 0 437.493 -0.646 20 0 IBADRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CO1 ZINC001169369498 1073599485 /nfs/dbraw/zinc/59/94/85/1073599485.db2.gz YPHOCABRWZHLLC-JGBPGKFQSA-N 1 0 437.493 -0.646 20 0 IBADRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CO1 ZINC001169369499 1073599419 /nfs/dbraw/zinc/59/94/19/1073599419.db2.gz YPHOCABRWZHLLC-JKHOMCNOSA-N 1 0 437.493 -0.646 20 0 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443.614 -0.159 20 0 IBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H]1CCCN(C(C)=O)C1)C(N)=O ZINC001169593257 1073602252 /nfs/dbraw/zinc/60/22/52/1073602252.db2.gz DQRZIPKJOPCGIY-ULQDDVLXSA-N 1 0 443.614 -0.159 20 0 IBADRO CC(=O)N1CCC[C@@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C1 ZINC001169596242 1073602817 /nfs/dbraw/zinc/60/28/17/1073602817.db2.gz GCLFYTUNJRWQKK-HOJAQTOUSA-N 1 0 442.520 -0.145 20 0 IBADRO CC(=O)N1CCC[C@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C1 ZINC001169596243 1073602943 /nfs/dbraw/zinc/60/29/43/1073602943.db2.gz GCLFYTUNJRWQKK-IHPCNDPISA-N 1 0 442.520 -0.145 20 0 IBADRO CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001169598832 1073602947 /nfs/dbraw/zinc/60/29/47/1073602947.db2.gz ZDBHOQRCXOCDCG-OWQGQXMQSA-N 1 0 433.509 -0.990 20 0 IBADRO CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001169598833 1073602901 /nfs/dbraw/zinc/60/29/01/1073602901.db2.gz 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/nfs/dbraw/zinc/60/41/85/1073604185.db2.gz XACSUETTYXDZJC-DBGJGPROSA-N 1 0 435.485 -0.372 20 0 IBADRO CCOC(=O)N1CCC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)CC1 ZINC001169673509 1073604155 /nfs/dbraw/zinc/60/41/55/1073604155.db2.gz XACSUETTYXDZJC-VTRIPGNTSA-N 1 0 435.485 -0.372 20 0 IBADRO CCOC(=O)N1CCC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001169680591 1073603541 /nfs/dbraw/zinc/60/35/41/1073603541.db2.gz XGCZSEJHFUBJJO-NJAFHUGGSA-N 1 0 436.509 -0.134 20 0 IBADRO CCOC(=O)N1CCC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001169680592 1073603604 /nfs/dbraw/zinc/60/36/04/1073603604.db2.gz XGCZSEJHFUBJJO-SZMVWBNQSA-N 1 0 436.509 -0.134 20 0 IBADRO CS(=O)(=O)C1CCC(n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC1 ZINC001169868781 1073606923 /nfs/dbraw/zinc/60/69/23/1073606923.db2.gz ZOZKBVWPUSYMCT-FQLQODGNSA-N 1 0 426.499 -0.689 20 0 IBADRO CS(=O)(=O)C1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001169870148 1073607549 /nfs/dbraw/zinc/60/75/49/1073607549.db2.gz HHSCPJKYMZSHJO-KMZOKZLKSA-N 1 0 427.523 -0.789 20 0 IBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC(S(C)(=O)=O)CC1)C(N)=O ZINC001169870203 1073607352 /nfs/dbraw/zinc/60/73/52/1073607352.db2.gz JOUBSCPLJDYUQR-ZGVOSJDSSA-N 1 0 441.550 -0.400 20 0 IBADRO C[C@H]([NH2+][C@@H]1CCCC2(C1)OCCO2)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169935516 1073608105 /nfs/dbraw/zinc/60/81/05/1073608105.db2.gz LUVDDOUNVZJCMH-LESCRADOSA-N 1 0 448.520 -0.315 20 0 IBADRO C[C@H]([NH2+][C@H]1CCCC2(C1)OCCO2)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169935518 1073608196 /nfs/dbraw/zinc/60/81/96/1073608196.db2.gz LUVDDOUNVZJCMH-ZVZYQTTQSA-N 1 0 448.520 -0.315 20 0 IBADRO CNS(=O)(=O)NC1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001169962865 1073608709 /nfs/dbraw/zinc/60/87/09/1073608709.db2.gz JKDWLLLKSSMEPL-AWEZNQCLSA-N 1 0 426.605 -0.494 20 0 IBADRO CNS(=O)(=O)NC1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001169962866 1073609075 /nfs/dbraw/zinc/60/90/75/1073609075.db2.gz JKDWLLLKSSMEPL-CQSZACIVSA-N 1 0 426.605 -0.494 20 0 IBADRO Cc1ccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)[n+]([O-])c1 ZINC001169979550 1073634423 /nfs/dbraw/zinc/63/44/23/1073634423.db2.gz BELQIRWQFWRBJX-AWEZNQCLSA-N 1 0 431.453 -0.393 20 0 IBADRO Cc1ccc[n+]([O-])c1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169979560 1073634440 /nfs/dbraw/zinc/63/44/40/1073634440.db2.gz BWYCDBDYUAPRCK-ZDUSSCGKSA-N 1 0 431.453 -0.393 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc(=O)n1C)c(N)nc2=O ZINC001169979582 1073634252 /nfs/dbraw/zinc/63/42/52/1073634252.db2.gz DMUHLPPKZPZITQ-AWEZNQCLSA-N 1 0 431.453 -0.636 20 0 IBADRO CCn1nccc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1=O ZINC001169979977 1073633639 /nfs/dbraw/zinc/63/36/39/1073633639.db2.gz JGJSOVZKIJQHOP-ZDUSSCGKSA-N 1 0 446.468 -0.758 20 0 IBADRO Cc1cc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cn(C)c1=O ZINC001169980310 1073633471 /nfs/dbraw/zinc/63/34/71/1073633471.db2.gz PRRPLCPPEBCEBR-AWEZNQCLSA-N 1 0 445.480 -0.328 20 0 IBADRO CCn1ncc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)cc1=O ZINC001169980331 1073634110 /nfs/dbraw/zinc/63/41/10/1073634110.db2.gz RBMSXXUYFRGBAR-AWEZNQCLSA-N 1 0 446.468 -0.758 20 0 IBADRO Cc1cc(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c(=O)n(C)c1 ZINC001169980442 1073634333 /nfs/dbraw/zinc/63/43/33/1073634333.db2.gz VDYDSLIUEMDXLL-AWEZNQCLSA-N 1 0 445.480 -0.328 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cc(F)c(=O)n(C)c1)c(N)nc2=O ZINC001169980481 1073634232 /nfs/dbraw/zinc/63/42/32/1073634232.db2.gz XOGLFFBJTUGHOC-ZDUSSCGKSA-N 1 0 449.443 -0.497 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccnc(C(N)=O)c1)c(N)nc2=O ZINC001169980867 1073634370 /nfs/dbraw/zinc/63/43/70/1073634370.db2.gz AYCGIOGTLLTXJT-ZDUSSCGKSA-N 1 0 444.452 -0.841 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1c(F)ccc[n+]1[O-])c(N)nc2=O ZINC001169981386 1073634388 /nfs/dbraw/zinc/63/43/88/1073634388.db2.gz IBGXWLKPSZKTDF-LBPRGKRZSA-N 1 0 435.416 -0.563 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(=O)n(C)c1)c(N)nc2=O ZINC001169981404 1073634453 /nfs/dbraw/zinc/63/44/53/1073634453.db2.gz IYMMPDBZWDEBET-AWEZNQCLSA-N 1 0 431.453 -0.636 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ncc3c(n1)CCC3)c(N)nc2=O ZINC001169981423 1073634185 /nfs/dbraw/zinc/63/41/85/1073634185.db2.gz JVSRAULCVZAGRX-AWEZNQCLSA-N 1 0 442.480 -0.056 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(C(N)=O)nc1)c(N)nc2=O ZINC001169981495 1073634294 /nfs/dbraw/zinc/63/42/94/1073634294.db2.gz KNLVNZHSHCZJMS-ZDUSSCGKSA-N 1 0 444.452 -0.841 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc(=S)[nH]n1)c(N)nc2=O ZINC001169982212 1073634142 /nfs/dbraw/zinc/63/41/42/1073634142.db2.gz KTEAWMVJLSCIQF-LBPRGKRZSA-N 1 0 434.482 -0.256 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccn(C)c(=O)c1)c(N)nc2=O ZINC001169982879 1073635001 /nfs/dbraw/zinc/63/50/01/1073635001.db2.gz PJIVNTYXUUUFPB-AWEZNQCLSA-N 1 0 431.453 -0.636 20 0 IBADRO Cc1cc[n+]([O-])c(-n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)c1 ZINC001169982892 1073634407 /nfs/dbraw/zinc/63/44/07/1073634407.db2.gz PVOYGCXOCGDYIQ-AWEZNQCLSA-N 1 0 431.453 -0.393 20 0 IBADRO Cc1c(N)ccnc1-n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169983317 1073634985 /nfs/dbraw/zinc/63/49/85/1073634985.db2.gz WICZRRFFCAUZPH-ZDUSSCGKSA-N 1 0 430.469 -0.049 20 0 IBADRO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170023546 1073673942 /nfs/dbraw/zinc/67/39/42/1073673942.db2.gz ZAFQJQDQPYUZHM-FWXGHANASA-N 1 0 431.555 -0.411 20 0 IBADRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170023547 1073673965 /nfs/dbraw/zinc/67/39/65/1073673965.db2.gz ZAFQJQDQPYUZHM-TWHJKIGZSA-N 1 0 431.555 -0.411 20 0 IBADRO COC(=O)CNC(=O)C[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170024770 1073676460 /nfs/dbraw/zinc/67/64/60/1073676460.db2.gz CDXNLYSJKDVPFP-OLZOCXBDSA-N 1 0 430.527 -0.224 20 0 IBADRO COC(=O)CNC(=O)C[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170024772 1073676249 /nfs/dbraw/zinc/67/62/49/1073676249.db2.gz CDXNLYSJKDVPFP-STQMWFEESA-N 1 0 430.527 -0.224 20 0 IBADRO C[C@H]([NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C(=O)NCC(N)=O ZINC001170035574 1073689102 /nfs/dbraw/zinc/68/91/02/1073689102.db2.gz POLZXURYMMPCIC-AVGNSLFASA-N 1 0 429.543 -0.523 20 0 IBADRO C[C@H]([NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C(=O)NCC(N)=O ZINC001170035575 1073689066 /nfs/dbraw/zinc/68/90/66/1073689066.db2.gz POLZXURYMMPCIC-XQQFMLRXSA-N 1 0 429.543 -0.523 20 0 IBADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C(N)=O ZINC001170036546 1073689659 /nfs/dbraw/zinc/68/96/59/1073689659.db2.gz YWPMMTYUMGMFSW-FQUUOJAGSA-N 1 0 443.570 -0.135 20 0 IBADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C(N)=O ZINC001170036547 1073689699 /nfs/dbraw/zinc/68/96/99/1073689699.db2.gz YWPMMTYUMGMFSW-XUXIUFHCSA-N 1 0 443.570 -0.135 20 0 IBADRO CC(C)[C@](C)([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C(N)=O ZINC001170127915 1073790045 /nfs/dbraw/zinc/79/00/45/1073790045.db2.gz MLTCEYQNABAFBZ-IBGZPJMESA-N 1 0 426.539 -0.187 20 0 IBADRO CC(C)[C@@](C)([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C(N)=O ZINC001170127919 1073790669 /nfs/dbraw/zinc/79/06/69/1073790669.db2.gz MLTCEYQNABAFBZ-LJQANCHMSA-N 1 0 426.539 -0.187 20 0 IBADRO COC(=O)c1cc(Oc2cnc(N3CC[NH2+]CC3)nc2)nc(N2C[C@H](O)C[C@@H]2CO)c1 ZINC001170283304 1073818482 /nfs/dbraw/zinc/81/84/82/1073818482.db2.gz PQIPQOFUZJWYJG-HUUCEWRRSA-N 1 0 430.465 -0.208 20 0 IBADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001170540930 1073935776 /nfs/dbraw/zinc/93/57/76/1073935776.db2.gz WKNZFYFJXZJMBZ-CRNXPOROSA-N 1 0 434.493 -0.659 20 0 IBADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001170540931 1073935751 /nfs/dbraw/zinc/93/57/51/1073935751.db2.gz WKNZFYFJXZJMBZ-GUSZCTEKSA-N 1 0 434.493 -0.659 20 0 IBADRO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC001170623011 1073980143 /nfs/dbraw/zinc/98/01/43/1073980143.db2.gz IBDMHOLIDBWYKC-CABCVRRESA-N 1 0 425.555 -0.186 20 0 IBADRO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC001170623012 1073980083 /nfs/dbraw/zinc/98/00/83/1073980083.db2.gz IBDMHOLIDBWYKC-GJZGRUSLSA-N 1 0 425.555 -0.186 20 0 IBADRO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC001170623013 1073980023 /nfs/dbraw/zinc/98/00/23/1073980023.db2.gz IBDMHOLIDBWYKC-HUUCEWRRSA-N 1 0 425.555 -0.186 20 0 IBADRO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC001170623014 1073980121 /nfs/dbraw/zinc/98/01/21/1073980121.db2.gz IBDMHOLIDBWYKC-LSDHHAIUSA-N 1 0 425.555 -0.186 20 0 IBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)C(=O)[O-] ZINC001170687453 1073998987 /nfs/dbraw/zinc/99/89/87/1073998987.db2.gz CWKHUTLEFRJAJK-DLBZAZTESA-N 1 0 426.477 -0.516 20 0 IBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)C(=O)[O-] ZINC001170687454 1073998781 /nfs/dbraw/zinc/99/87/81/1073998781.db2.gz CWKHUTLEFRJAJK-IRXDYDNUSA-N 1 0 426.477 -0.516 20 0 IBADRO C[NH+](C)CCCNC(=O)c1cccnc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001170687563 1073999525 /nfs/dbraw/zinc/99/95/25/1073999525.db2.gz NXUZVZQIPSFMAM-INIZCTEOSA-N 1 0 431.497 -0.591 20 0 IBADRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001170687634 1073999496 /nfs/dbraw/zinc/99/94/96/1073999496.db2.gz PEYXSLNFCWWTOF-IKGGRYGDSA-N 1 0 444.492 -0.488 20 0 IBADRO Cc1cnc(N2CCC(C[NH3+])CC2)nc1-n1cncc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001170687936 1073999568 /nfs/dbraw/zinc/99/95/68/1073999568.db2.gz TWNODGYSHZEKGE-INIZCTEOSA-N 1 0 430.513 -0.393 20 0 IBADRO C[NH+]1CCC(COc2cnc(-n3cncc3C[C@H](NC(=O)CC[NH3+])C(=O)[O-])nc2)CC1 ZINC001170688164 1074000128 /nfs/dbraw/zinc/00/01/28/1074000128.db2.gz XBHXSUJHQIWZBN-KRWDZBQOSA-N 1 0 431.497 -0.156 20 0 IBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1)C(=O)[O-] ZINC001170693028 1074000432 /nfs/dbraw/zinc/00/04/32/1074000432.db2.gz ZRCTUZFCVWHWPY-SFHVURJKSA-N 1 0 449.533 -0.141 20 0 IBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cccc2c1NC(=O)C21CC[NH2+]CC1)C(=O)[O-] ZINC001170693269 1074000939 /nfs/dbraw/zinc/00/09/39/1074000939.db2.gz HHRUXORDMFRCPY-HNNXBMFYSA-N 1 0 426.477 -0.094 20 0 IBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cccc2nc([C@H]3C[NH2+]CCO3)cn21)C(=O)[O-] ZINC001170693293 1074000948 /nfs/dbraw/zinc/00/09/48/1074000948.db2.gz ICKNCHPRLUMNEW-GOEBONIOSA-N 1 0 427.465 -0.358 20 0 IBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1cccc2nc([C@@H]3C[NH2+]CCO3)cn21)C(=O)[O-] ZINC001170693294 1074000840 /nfs/dbraw/zinc/00/08/40/1074000840.db2.gz ICKNCHPRLUMNEW-HOCLYGCPSA-N 1 0 427.465 -0.358 20 0 IBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccc(C(=O)N2CCC([NH3+])CC2)cc1)C(=O)[O-] ZINC001170693329 1074001380 /nfs/dbraw/zinc/00/13/80/1074001380.db2.gz JRVPXTFZGRLAJG-SFHVURJKSA-N 1 0 428.493 -0.104 20 0 IBADRO [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1ccccc1C(=O)NC1CC[NH2+]CC1)C(=O)[O-] ZINC001170694063 1074001813 /nfs/dbraw/zinc/00/18/13/1074001813.db2.gz PTKKEGRYBTVGDS-KRWDZBQOSA-N 1 0 428.493 -0.185 20 0 IBADRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC001170777081 1074018961 /nfs/dbraw/zinc/01/89/61/1074018961.db2.gz PNDVIKYIOURZLT-HNNXBMFYSA-N 1 0 426.539 -0.372 20 0 IBADRO CCNC(=O)C(C)(C)[NH2+]CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001170916570 1074045620 /nfs/dbraw/zinc/04/56/20/1074045620.db2.gz PNTYHENCOFWBAI-UHFFFAOYSA-N 1 0 426.539 -0.172 20 0 IBADRO C/C=C(\NC=[NH2+])N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001170942167 1074050148 /nfs/dbraw/zinc/05/01/48/1074050148.db2.gz OQIRQNKHCJRADO-SMZZWBPUSA-N 1 0 429.426 -0.283 20 0 IBADRO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2c[nH+]cn2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170942766 1074049804 /nfs/dbraw/zinc/04/98/04/1074049804.db2.gz RLIMZRPFLPBJOR-JVNHZCFISA-N 1 0 427.410 -0.085 20 0 IBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@@H]1CCc2cccc(F)c2C1 ZINC001170957128 1074053559 /nfs/dbraw/zinc/05/35/59/1074053559.db2.gz LBWYHRBGPLMCHH-CIHIYUMESA-N 1 0 430.440 -0.378 20 0 IBADRO Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1[C@H]1CCc2cccc(F)c2C1 ZINC001170957129 1074053392 /nfs/dbraw/zinc/05/33/92/1074053392.db2.gz LBWYHRBGPLMCHH-YNCMYWQSSA-N 1 0 430.440 -0.378 20 0 IBADRO O=C(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001171008843 1074060849 /nfs/dbraw/zinc/06/08/49/1074060849.db2.gz UGIOVMQCGICSBI-BLLLJJGKSA-N 1 0 435.905 -0.403 20 0 IBADRO O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001171008846 1074060813 /nfs/dbraw/zinc/06/08/13/1074060813.db2.gz UGIOVMQCGICSBI-LRDDRELGSA-N 1 0 435.905 -0.403 20 0 IBADRO O=C(C[N@H+]1C[C@H](CO)[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001171008851 1074060936 /nfs/dbraw/zinc/06/09/36/1074060936.db2.gz UGIOVMQCGICSBI-MLGOLLRUSA-N 1 0 435.905 -0.403 20 0 IBADRO O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001171008854 1074060957 /nfs/dbraw/zinc/06/09/57/1074060957.db2.gz UGIOVMQCGICSBI-WBMJQRKESA-N 1 0 435.905 -0.403 20 0 IBADRO O=C(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001171009660 1074060904 /nfs/dbraw/zinc/06/09/04/1074060904.db2.gz WGKTUHJNDNSAIG-AZUAARDMSA-N 1 0 433.530 -0.042 20 0 IBADRO O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001171009663 1074060789 /nfs/dbraw/zinc/06/07/89/1074060789.db2.gz WGKTUHJNDNSAIG-ICSRJNTNSA-N 1 0 433.530 -0.042 20 0 IBADRO O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001171009664 1074060723 /nfs/dbraw/zinc/06/07/23/1074060723.db2.gz WGKTUHJNDNSAIG-QUCCMNQESA-N 1 0 433.530 -0.042 20 0 IBADRO O=C(C[N@H+]1C[C@H](CO)[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001171009665 1074060764 /nfs/dbraw/zinc/06/07/64/1074060764.db2.gz WGKTUHJNDNSAIG-UYAOXDASSA-N 1 0 433.530 -0.042 20 0 IBADRO Cc1cnc(N2CCC(C[NH3+])CC2)nc1NCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001171081324 1074066153 /nfs/dbraw/zinc/06/61/53/1074066153.db2.gz AUFPYYPLAZWMOC-UHFFFAOYSA-N 1 0 430.513 -0.241 20 0 IBADRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1NCCNC(=O)Cn1cc(C)c(=O)[nH]c1=O ZINC001171081963 1074066171 /nfs/dbraw/zinc/06/61/71/1074066171.db2.gz KMIOMNSLHOQUSA-CVEARBPZSA-N 1 0 444.492 -0.335 20 0 IBADRO Cc1cn(CC(=O)NCCNc2ncc(OCC3CC[NH+](C)CC3)cn2)c(=O)[nH]c1=O ZINC001171083255 1074067300 /nfs/dbraw/zinc/06/73/00/1074067300.db2.gz HBRKOUIKFITIIV-UHFFFAOYSA-N 1 0 431.497 -0.004 20 0 IBADRO Cc1cn(CC(=O)NCCNc2ncccc2C(=O)NCCC[NH+](C)C)c(=O)[nH]c1=O ZINC001171083884 1074067680 /nfs/dbraw/zinc/06/76/80/1074067680.db2.gz RYCMZDMCIJCKTE-UHFFFAOYSA-N 1 0 431.497 -0.438 20 0 IBADRO Cc1cn(CC(=O)NCCNc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)c(=O)[nH]c1=O ZINC001171084980 1074065998 /nfs/dbraw/zinc/06/59/98/1074065998.db2.gz QOKHEMPPDHJBDR-INIZCTEOSA-N 1 0 426.477 -0.364 20 0 IBADRO Cc1cn(CC(=O)NCCNc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)c(=O)[nH]c1=O ZINC001171084981 1074066094 /nfs/dbraw/zinc/06/60/94/1074066094.db2.gz QOKHEMPPDHJBDR-MRXNPFEDSA-N 1 0 426.477 -0.364 20 0 IBADRO Cc1cn(CC(=O)NCCNc2cccc3nc([C@@H]4C[NH2+]CCO4)cn32)c(=O)[nH]c1=O ZINC001171087803 1074067640 /nfs/dbraw/zinc/06/76/40/1074067640.db2.gz JAWJAWOBMKWOII-HNNXBMFYSA-N 1 0 427.465 -0.206 20 0 IBADRO Cc1cn(CC(=O)NCCNc2cccc3nc([C@H]4C[NH2+]CCO4)cn32)c(=O)[nH]c1=O ZINC001171087805 1074067664 /nfs/dbraw/zinc/06/76/64/1074067664.db2.gz JAWJAWOBMKWOII-OAHLLOKOSA-N 1 0 427.465 -0.206 20 0 IBADRO Cc1cn(CC(=O)NCCNc2ccccc2C(=O)NC2CC[NH2+]CC2)c(=O)[nH]c1=O ZINC001171089907 1074068101 /nfs/dbraw/zinc/06/81/01/1074068101.db2.gz AUYMDZBJMFFSAO-UHFFFAOYSA-N 1 0 428.493 -0.033 20 0 IBADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C)[C@H](CO)C2)o1 ZINC001171139625 1074071183 /nfs/dbraw/zinc/07/11/83/1074071183.db2.gz NDZOSRMWPACJCE-KBPBESRZSA-N 1 0 429.495 -0.256 20 0 IBADRO COC(=O)[C@@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[N@H+](C)C1 ZINC001171240697 1074078235 /nfs/dbraw/zinc/07/82/35/1074078235.db2.gz SCRYNFAKLCBSHD-IBGZPJMESA-N 1 0 432.521 -0.188 20 0 IBADRO COC(=O)[C@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC[N@H+](C)C1 ZINC001171240698 1074078081 /nfs/dbraw/zinc/07/80/81/1074078081.db2.gz SCRYNFAKLCBSHD-LJQANCHMSA-N 1 0 432.521 -0.188 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3C[N@@H+](C3CC3)CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260847 1074084200 /nfs/dbraw/zinc/08/42/00/1074084200.db2.gz FUALMNDQZYNSAD-DNNBLBMLSA-N 1 0 449.899 -0.637 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3ncnc4sc5c(c43)CC[NH2+]C5)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260953 1074084260 /nfs/dbraw/zinc/08/42/60/1074084260.db2.gz HLQNDHDFUVKOLN-KRQFVHPKSA-N 1 0 431.478 -0.951 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3ccc4c(c3)C3(CC4)CC[NH2+]CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263589 1074087194 /nfs/dbraw/zinc/08/71/94/1074087194.db2.gz RMYGEKYXVWIZIG-VBSBHUPXSA-N 1 0 427.505 -0.034 20 0 IBADRO COc1cc2[nH+]ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)c2cc1OC ZINC001171263822 1074087876 /nfs/dbraw/zinc/08/78/76/1074087876.db2.gz UKKWFBOVZZYVEX-NXWXRZEISA-N 1 0 429.433 -0.448 20 0 IBADRO CC(C)[NH+]1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)cn2)CC1 ZINC001171263935 1074087738 /nfs/dbraw/zinc/08/77/38/1074087738.db2.gz XCJRUHJQTWXADW-HUYLIWGRSA-N 1 0 445.524 -0.676 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3ccc([C@]45CC[NH2+][C@H]4COCC5)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264023 1074087864 /nfs/dbraw/zinc/08/78/64/1074087864.db2.gz ZKADJCWYVAYKMA-GBLMIXTLSA-N 1 0 443.504 -0.415 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3ccc([C@@]45CC[NH2+][C@H]4COCC5)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264024 1074087895 /nfs/dbraw/zinc/08/78/95/1074087895.db2.gz ZKADJCWYVAYKMA-HZLYFRJFSA-N 1 0 443.504 -0.415 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3ccc([C@]45CC[NH2+][C@@H]4COCC5)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264025 1074087756 /nfs/dbraw/zinc/08/77/56/1074087756.db2.gz ZKADJCWYVAYKMA-LPSPBKCASA-N 1 0 443.504 -0.415 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3ccc([C@@]45CC[NH2+][C@@H]4COCC5)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264026 1074087852 /nfs/dbraw/zinc/08/78/52/1074087852.db2.gz ZKADJCWYVAYKMA-POQOAFDUSA-N 1 0 443.504 -0.415 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3cccc4cc([C@@H]5C[NH2+]CCO5)cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264372 1074088261 /nfs/dbraw/zinc/08/82/61/1074088261.db2.gz BXNLDXCAMXKEDX-MZCHELMPSA-N 1 0 442.476 -0.687 20 0 IBADRO N[C@H]1[C@H](n2ccc(Nc3cccc4cc([C@H]5C[NH2+]CCO5)cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264373 1074089022 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COC(=O)CN1C[C@H](Oc2ccc(C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(N)=O)cc2)CC1=O ZINC001218312349 1073348869 /nfs/dbraw/zinc/34/88/69/1073348869.db2.gz XKGGRZSTZLGVNI-SQNIBIBYSA-N 1 0 448.520 -0.275 20 0 IBADRO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C(=O)O[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@H]12 ZINC001218315159 1073349009 /nfs/dbraw/zinc/34/90/09/1073349009.db2.gz VNEWKXPAFPHANZ-BGCDDMGFSA-N 1 0 439.421 -0.690 20 0 IBADRO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC[C@H]1COCCOCCOCCO1 ZINC001218356966 1073349158 /nfs/dbraw/zinc/34/91/58/1073349158.db2.gz SMFYETUBUURYEN-CYBMUJFWSA-N 1 0 429.470 -0.412 20 0 IBADRO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC[C@@H]1COCCOCCOCCO1 ZINC001218356970 1073349172 /nfs/dbraw/zinc/34/91/72/1073349172.db2.gz SMFYETUBUURYEN-ZDUSSCGKSA-N 1 0 429.470 -0.412 20 0 IBADRO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001218442136 1073349908 /nfs/dbraw/zinc/34/99/08/1073349908.db2.gz PPPFVFWYYMVZFV-GFCCVEGCSA-O 1 0 441.486 -0.616 20 0 IBADRO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001218442138 1073349804 /nfs/dbraw/zinc/34/98/04/1073349804.db2.gz PPPFVFWYYMVZFV-LBPRGKRZSA-O 1 0 441.486 -0.616 20 0 IBADRO Cc1cc(C[C@H](C)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)on1 ZINC001218500176 1073349979 /nfs/dbraw/zinc/34/99/79/1073349979.db2.gz CMVPYZHUSZXOCF-QCRGFSPQSA-N 1 0 441.504 -0.068 20 0 IBADRO Cc1cc(C[C@@H](C)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)on1 ZINC001218500177 1073349756 /nfs/dbraw/zinc/34/97/56/1073349756.db2.gz CMVPYZHUSZXOCF-YMXNGHFFSA-N 1 0 441.504 -0.068 20 0 IBADRO COc1nn(C)cc1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218505537 1073349931 /nfs/dbraw/zinc/34/99/31/1073349931.db2.gz XFRYFWKKEMLIMG-PGUXBMHVSA-N 1 0 428.465 -0.731 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc(Cl)nn1)C(=O)CF ZINC001218506862 1073350453 /nfs/dbraw/zinc/35/04/53/1073350453.db2.gz FQUDEEYRYOVAQR-YHAQOWFVSA-N 1 0 430.868 -0.030 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1nc(N)ccc1I)C(N)=O ZINC001218507804 1073350362 /nfs/dbraw/zinc/35/03/62/1073350362.db2.gz RSZARMOKHSVSSD-POYBYMJQSA-N 1 0 434.238 -0.696 20 0 IBADRO [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218510379 1073350513 /nfs/dbraw/zinc/35/05/13/1073350513.db2.gz KDDNLKICQKLDPB-HNNXBMFYSA-N 1 0 427.465 -0.180 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1nnc(Br)s1 ZINC001218511733 1073350336 /nfs/dbraw/zinc/35/03/36/1073350336.db2.gz XUZOLIWEECYEGU-UWVGGRQHSA-N 1 0 430.284 -0.008 20 0 IBADRO COc1ccc2nc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)nnc2c1 ZINC001218512705 1073350496 /nfs/dbraw/zinc/35/04/96/1073350496.db2.gz QLZXOZMXHDCBAL-YOEHRIQHSA-N 1 0 426.433 -0.275 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515590 1073350467 /nfs/dbraw/zinc/35/04/67/1073350467.db2.gz IWCGAEBUTQVJIZ-ZFWWWQNUSA-N 1 0 439.480 -0.487 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ncnc2n[nH]cc21)C(=O)CF ZINC001218517198 1073350291 /nfs/dbraw/zinc/35/02/91/1073350291.db2.gz FZQWLZHIUVVBEV-CHIMOYNISA-N 1 0 436.448 -0.807 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001218517328 1073350530 /nfs/dbraw/zinc/35/05/30/1073350530.db2.gz HSXLKJPITACTAH-RDJZCZTQSA-N 1 0 438.492 -0.508 20 0 IBADRO CSc1cc(C)nc(SC)c1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218518815 1073350171 /nfs/dbraw/zinc/35/01/71/1073350171.db2.gz VMMGZMBPYSTXJR-UHFFFAOYSA-N 1 0 428.540 -0.920 20 0 IBADRO COC(=O)c1nc(Br)cnc1NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001218523417 1073350241 /nfs/dbraw/zinc/35/02/41/1073350241.db2.gz FCKMGLAEXWONBY-NKWVEPMBSA-N 1 0 431.247 -0.938 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1[nH]nc2cccnc21)C(=O)CF ZINC001218524306 1073350482 /nfs/dbraw/zinc/35/04/82/1073350482.db2.gz XHVLJTZSDBVFMM-WBIUFABUSA-N 1 0 435.460 -0.202 20 0 IBADRO COC(=O)c1nc(Br)cnc1NC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218524834 1073350563 /nfs/dbraw/zinc/35/05/63/1073350563.db2.gz ONIFZOMCSUOALJ-MRVPVSSYSA-N 1 0 437.258 -0.098 20 0 IBADRO COC(=O)c1nc(Br)cnc1NC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218524843 1073350226 /nfs/dbraw/zinc/35/02/26/1073350226.db2.gz ONIFZOMCSUOALJ-QMMMGPOBSA-N 1 0 437.258 -0.098 20 0 IBADRO COc1ccnc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)c1 ZINC001218527210 1073350546 /nfs/dbraw/zinc/35/05/46/1073350546.db2.gz BGQUJLCTCMCJKR-BNLOLNQZSA-N 1 0 425.461 -0.070 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1c2c(nn1C)CCC2)C(=O)CF ZINC001218528215 1073350385 /nfs/dbraw/zinc/35/03/85/1073350385.db2.gz OJYVPMLDBMKPII-YLVFBTJISA-N 1 0 438.504 -0.251 20 0 IBADRO Cc1[nH][nH]c2ncnc(=NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)[NH3+])c1-2 ZINC001218528956 1073350875 /nfs/dbraw/zinc/35/08/75/1073350875.db2.gz WYHWLWZOYXTHNY-UBHSHLNASA-N 1 0 430.513 -0.158 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nccc(Cl)c1I ZINC001218529949 1073350917 /nfs/dbraw/zinc/35/09/17/1073350917.db2.gz OSWQDYNSFSLRIT-FSPLSTOPSA-N 1 0 439.641 -0.015 20 0 IBADRO CCOC(=O)c1ncn2c1cccc2NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218534340 1073350887 /nfs/dbraw/zinc/35/08/87/1073350887.db2.gz WHUDEKUFMRWUBK-JSGCOSHPSA-N 1 0 430.465 -0.096 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cncnc1[C@H]1CN(Cc2ccccc2)CCO1 ZINC001218534807 1073351003 /nfs/dbraw/zinc/35/10/03/1073351003.db2.gz CYEAFKXLKAZTGC-QILLFSRXSA-N 1 0 428.493 -0.187 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cncnc1[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001218534812 1073350975 /nfs/dbraw/zinc/35/09/75/1073350975.db2.gz CYEAFKXLKAZTGC-ZVZYQTTQSA-N 1 0 428.493 -0.187 20 0 IBADRO COc1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)ncn1 ZINC001218536876 1073350688 /nfs/dbraw/zinc/35/06/88/1073350688.db2.gz YYSILYMFNZBWNQ-MMPTUQATSA-N 1 0 426.449 -0.675 20 0 IBADRO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218548521 1073350961 /nfs/dbraw/zinc/35/09/61/1073350961.db2.gz MAKPUCPMYXCMTC-UWVGGRQHSA-N 1 0 441.510 -0.419 20 0 IBADRO CCOC(=O)c1ncn(Cc2ccccc2)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218550393 1073350836 /nfs/dbraw/zinc/35/08/36/1073350836.db2.gz XEGZLAHQNORNRJ-JSGCOSHPSA-N 1 0 430.465 -0.246 20 0 IBADRO Cc1noc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1C(N)=O ZINC001218551189 1073350931 /nfs/dbraw/zinc/35/09/31/1073350931.db2.gz IBDSXDOTVMRSFX-YOEHRIQHSA-N 1 0 444.492 -0.153 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218551683 1073350734 /nfs/dbraw/zinc/35/07/34/1073350734.db2.gz SKCZQTJJIVJISY-ROUUACIJSA-N 1 0 429.477 -0.391 20 0 IBADRO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218554513 1073350814 /nfs/dbraw/zinc/35/08/14/1073350814.db2.gz KRFKDYAIYITNTL-SECBINFHSA-N 1 0 430.508 -0.228 20 0 IBADRO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001218554516 1073350826 /nfs/dbraw/zinc/35/08/26/1073350826.db2.gz KRFKDYAIYITNTL-VIFPVBQESA-N 1 0 430.508 -0.228 20 0 IBADRO CN1CCN(c2ncccc2NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001218555573 1073350761 /nfs/dbraw/zinc/35/07/61/1073350761.db2.gz LSHMDPCTAWMPKM-HKUYNNGSSA-N 1 0 442.520 -0.475 20 0 IBADRO CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001218556195 1073350669 /nfs/dbraw/zinc/35/06/69/1073350669.db2.gz XAQYEDPJXHAAIS-VIFPVBQESA-N 1 0 435.466 -0.315 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ncnc2[nH]ccc21)C(=O)CF ZINC001218558985 1073350855 /nfs/dbraw/zinc/35/08/55/1073350855.db2.gz JDMPWLCNCVYSIK-WBIUFABUSA-N 1 0 435.460 -0.202 20 0 IBADRO COCCCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ncccc1N ZINC001218560247 1073350942 /nfs/dbraw/zinc/35/09/42/1073350942.db2.gz WCPKLYXDPWPGSO-ROUUACIJSA-N 1 0 431.493 -0.214 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1nc(Br)cn2ccnc12 ZINC001218563370 1073350714 /nfs/dbraw/zinc/35/07/14/1073350714.db2.gz LTZRKVUQQBUIEG-UWVGGRQHSA-N 1 0 438.286 -0.115 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ncnn2cccc12 ZINC001218563718 1073351575 /nfs/dbraw/zinc/35/15/75/1073351575.db2.gz BCSJKPYTBZIPMA-LPHOPBHVSA-N 1 0 437.504 -0.083 20 0 IBADRO Cc1nc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)cc(=O)[nH]1 ZINC001218564303 1073351449 /nfs/dbraw/zinc/35/14/49/1073351449.db2.gz HSPWVOBBILVPIU-QEKSWQHZSA-N 1 0 426.449 -0.669 20 0 IBADRO Cc1ccc(O)c(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)n1 ZINC001218564701 1073351319 /nfs/dbraw/zinc/35/13/19/1073351319.db2.gz MDICRWJWZVTXHI-MKBNYLNASA-N 1 0 425.461 -0.064 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218566507 1073351247 /nfs/dbraw/zinc/35/12/47/1073351247.db2.gz BZJPBJZTSWSOAC-ONGXEEELSA-N 1 0 438.286 -0.693 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1[nH]nc2nccnc21)C(=O)CF ZINC001218567106 1073351553 /nfs/dbraw/zinc/35/15/53/1073351553.db2.gz AVOUQVVMAYMQDE-KWBADKCTSA-N 1 0 436.448 -0.807 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1ccc(Cl)c(N)c1=N)C(=O)CF ZINC001218567865 1073351432 /nfs/dbraw/zinc/35/14/32/1073351432.db2.gz VCMJHFBUCXCSIJ-CHIMOYNISA-N 1 0 444.895 -0.255 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1nccnc1N1CCOCC1 ZINC001218569926 1073351465 /nfs/dbraw/zinc/35/14/65/1073351465.db2.gz BBLIZHRHESGYCU-HOTGVXAUSA-N 1 0 430.465 -0.996 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1c(N)c(F)cnc1Br ZINC001218570357 1073351279 /nfs/dbraw/zinc/35/12/79/1073351279.db2.gz AVPFWORONWZFNI-CBAPKCEASA-N 1 0 431.266 -0.042 20 0 IBADRO CCCN=c1c(N)c(Cl)ncn1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001218571240 1073351331 /nfs/dbraw/zinc/35/13/31/1073351331.db2.gz DPELBIPMAKOJCH-KBPBESRZSA-N 1 0 436.900 -0.178 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1nccnc1N1CCOCC1 ZINC001218571669 1073351534 /nfs/dbraw/zinc/35/15/34/1073351534.db2.gz ZLASURGTZPFEOS-HOTGVXAUSA-N 1 0 447.540 -0.349 20 0 IBADRO CCOC(=O)c1oc2nccnc2c1NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218572447 1073351510 /nfs/dbraw/zinc/35/15/10/1073351510.db2.gz YUMFUFRGRABTJA-QWRGUYRKSA-N 1 0 432.437 -0.208 20 0 IBADRO CCN(CC)c1nc(Br)cnc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218574213 1073351297 /nfs/dbraw/zinc/35/12/97/1073351297.db2.gz YEGNHQRQGPLATK-IUCAKERBSA-N 1 0 430.307 -0.269 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1noc2nccnc12)C(=O)CF ZINC001218574787 1073351346 /nfs/dbraw/zinc/35/13/46/1073351346.db2.gz TYEOXGUUWZKRSO-KWBADKCTSA-N 1 0 437.432 -0.542 20 0 IBADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)Nc3c(N)[nH]c(=O)[nH]c3=O)c2)cc1 ZINC001218574844 1073351589 /nfs/dbraw/zinc/35/15/89/1073351589.db2.gz VYQZXQXQKHPPTJ-GFCCVEGCSA-N 1 0 433.450 -0.280 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218575941 1073351365 /nfs/dbraw/zinc/35/13/65/1073351365.db2.gz NMWYNGRJUVWMLT-HOTGVXAUSA-N 1 0 447.540 -0.349 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218576800 1073351387 /nfs/dbraw/zinc/35/13/87/1073351387.db2.gz ZMJVFVCRFBIGKK-HOTGVXAUSA-N 1 0 430.465 -0.996 20 0 IBADRO Cn1nc(Br)cc1NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001218582869 1073351407 /nfs/dbraw/zinc/35/14/07/1073351407.db2.gz JOIGRSAXOGBOGF-RYUDHWBXSA-N 1 0 426.271 -0.126 20 0 IBADRO CCOC(=O)c1c2ccccc2sc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218588339 1073351484 /nfs/dbraw/zinc/35/14/84/1073351484.db2.gz UAVCXZZOLGXUMK-UHFFFAOYSA-N 1 0 449.489 -0.676 20 0 IBADRO CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001218593918 1073351267 /nfs/dbraw/zinc/35/12/67/1073351267.db2.gz FWKJQYJYEGDDCJ-UHFFFAOYSA-N 1 0 431.500 -0.818 20 0 IBADRO CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218593988 1073351854 /nfs/dbraw/zinc/35/18/54/1073351854.db2.gz GXDAYZYCYPJLLG-JTQLQIEISA-N 1 0 440.507 -0.262 20 0 IBADRO CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218593992 1073351918 /nfs/dbraw/zinc/35/19/18/1073351918.db2.gz GXDAYZYCYPJLLG-SNVBAGLBSA-N 1 0 440.507 -0.262 20 0 IBADRO COc1ncc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)cn1 ZINC001218594214 1073351897 /nfs/dbraw/zinc/35/18/97/1073351897.db2.gz VFWBQROALMTTCC-WBIUFABUSA-N 1 0 426.449 -0.675 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cc(-c2ccccc2)nn1CCO ZINC001218597026 1073352100 /nfs/dbraw/zinc/35/21/00/1073352100.db2.gz OZGCEMHSCAXYNM-YOEHRIQHSA-N 1 0 428.493 -0.065 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1c(N)c(-c2cccc(Cl)c2Cl)nnc1=N ZINC001218603104 1073352259 /nfs/dbraw/zinc/35/22/59/1073352259.db2.gz UTKNQUJVKTWQNV-RCOVLWMOSA-N 1 0 441.279 -0.339 20 0 IBADRO Cn1cc(I)c2c1ncnc2NC(=O)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001218603228 1073352340 /nfs/dbraw/zinc/35/23/40/1073352340.db2.gz ACTUMMLCISSLMV-JTQLQIEISA-N 1 0 426.218 -0.011 20 0 IBADRO Cn1cc(I)c2c1ncnc2NC(=O)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001218603229 1073352235 /nfs/dbraw/zinc/35/22/35/1073352235.db2.gz ACTUMMLCISSLMV-SNVBAGLBSA-N 1 0 426.218 -0.011 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ncc(Br)nc1OCC(F)(F)F ZINC001218603728 1073352639 /nfs/dbraw/zinc/35/26/39/1073352639.db2.gz SOJIYAFWIRDNEJ-WDSKDSINSA-N 1 0 430.181 -0.057 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1c(=N)ccc(F)c1N)C(=O)CF ZINC001218603878 1073352678 /nfs/dbraw/zinc/35/26/78/1073352678.db2.gz IYPVMYVGBXFIJQ-ZSGNIPIJSA-N 1 0 428.440 -0.769 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ncnc2c1c(I)cn2C ZINC001218604020 1073352818 /nfs/dbraw/zinc/35/28/18/1073352818.db2.gz KOYOYEFTUNSTHO-XPUUQOCRSA-N 1 0 432.222 -0.664 20 0 IBADRO Cn1cc(I)c2c1ncnc2NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218604433 1073352742 /nfs/dbraw/zinc/35/27/42/1073352742.db2.gz OTQNEKFUFLCJEF-SECBINFHSA-N 1 0 428.234 -0.158 20 0 IBADRO Cn1cc(I)c2c1ncnc2NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218604434 1073352711 /nfs/dbraw/zinc/35/27/11/1073352711.db2.gz OTQNEKFUFLCJEF-VIFPVBQESA-N 1 0 428.234 -0.158 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1nn(C)c2ncc(I)cc12 ZINC001218605598 1073352891 /nfs/dbraw/zinc/35/28/91/1073352891.db2.gz HEZDESRYQVQTQG-RCOVLWMOSA-N 1 0 432.222 -0.664 20 0 IBADRO Cn1nc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c2cc(I)cnc21 ZINC001218607242 1073352767 /nfs/dbraw/zinc/35/27/67/1073352767.db2.gz ZSZYHSVSSIBSMR-JTQLQIEISA-N 1 0 428.234 -0.158 20 0 IBADRO Cn1nc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)c2cc(I)cnc21 ZINC001218607243 1073352597 /nfs/dbraw/zinc/35/25/97/1073352597.db2.gz ZSZYHSVSSIBSMR-SNVBAGLBSA-N 1 0 428.234 -0.158 20 0 IBADRO Cn1nc(NC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)c2cc(I)cnc21 ZINC001218607254 1073352695 /nfs/dbraw/zinc/35/26/95/1073352695.db2.gz ZUXPMTGOTQLXGU-JTQLQIEISA-N 1 0 426.218 -0.011 20 0 IBADRO Cn1nc(NC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)c2cc(I)cnc21 ZINC001218607255 1073352730 /nfs/dbraw/zinc/35/27/30/1073352730.db2.gz ZUXPMTGOTQLXGU-SNVBAGLBSA-N 1 0 426.218 -0.011 20 0 IBADRO COC(=O)Cn1cc(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])cn1 ZINC001218612514 1073352788 /nfs/dbraw/zinc/35/27/88/1073352788.db2.gz ZTGISSJURWAHQS-BPUTZDHNSA-N 1 0 436.513 -0.136 20 0 IBADRO CCOC(=O)c1cnn(Cc2ccccc2)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218612865 1073352931 /nfs/dbraw/zinc/35/29/31/1073352931.db2.gz GZUCVHAGDCVKNP-WFASDCNBSA-N 1 0 430.465 -0.246 20 0 IBADRO CCOC(=O)c1cnn2ccc(NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])cc12 ZINC001218613705 1073352913 /nfs/dbraw/zinc/35/29/13/1073352913.db2.gz BGIHFXUCSLPNCN-WFASDCNBSA-N 1 0 430.465 -0.096 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnc2n[nH]cc2c1)C(=O)CF ZINC001218615257 1073352861 /nfs/dbraw/zinc/35/28/61/1073352861.db2.gz WGCGTFZIOIOYRD-NKFCBESUSA-N 1 0 435.460 -0.202 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnc2c(cnn2C)c1)C(=O)CF ZINC001218615875 1073352619 /nfs/dbraw/zinc/35/26/19/1073352619.db2.gz SUBLWKSUWTWSMG-YLVFBTJISA-N 1 0 449.487 -0.192 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nccnc1C(N)=O ZINC001218617529 1073352840 /nfs/dbraw/zinc/35/28/40/1073352840.db2.gz IOEDPYQNIQFYBS-HOCLYGCPSA-N 1 0 441.492 -0.659 20 0 IBADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)Nc3nccnc3C(N)=O)c2)cc1 ZINC001218617903 1073352653 /nfs/dbraw/zinc/35/26/53/1073352653.db2.gz MRIKFZWIKVWFSL-CQSZACIVSA-N 1 0 429.462 -0.174 20 0 IBADRO Cc1nc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)cc(N2CCOCC2)n1 ZINC001218619364 1073353309 /nfs/dbraw/zinc/35/33/09/1073353309.db2.gz FZHNPQZEICHOLE-IRXDYDNUSA-N 1 0 444.492 -0.687 20 0 IBADRO CCOC(=O)c1cnn(-c2cc(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)ccn2)c1 ZINC001218620414 1073353054 /nfs/dbraw/zinc/35/30/54/1073353054.db2.gz HAPCPBDLUWVRRW-SMDDNHRTSA-N 1 0 431.453 -0.520 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1c(=N)c(N)cnc1Cl)C(=O)CF ZINC001218621065 1073353287 /nfs/dbraw/zinc/35/32/87/1073353287.db2.gz FGNPMQIAQGIBKJ-FWDPORAESA-N 1 0 445.883 -0.860 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccnc2c1CCC2)C(=O)CF ZINC001218622211 1073353097 /nfs/dbraw/zinc/35/30/97/1073353097.db2.gz YHCLTDRTXCHWOI-UVIMBBFXSA-N 1 0 435.500 -0.168 20 0 IBADRO CCOc1cnc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)cn1 ZINC001218622311 1073353223 /nfs/dbraw/zinc/35/32/23/1073353223.db2.gz ZREXFXGKHCJVOW-PRXAMGSTSA-N 1 0 440.476 -0.285 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1csc(N2CCOCC2)n1 ZINC001218622795 1073353350 /nfs/dbraw/zinc/35/33/50/1073353350.db2.gz VPXAAAYZCCXHSZ-GJZGRUSLSA-N 1 0 435.506 -0.329 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1nccnc1N ZINC001218623496 1073353259 /nfs/dbraw/zinc/35/32/59/1073353259.db2.gz OXZBDKQPPHWKFC-RDJZCZTQSA-N 1 0 427.509 -0.151 20 0 IBADRO COC(=O)c1sc(I)cc1NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001218627453 1073353131 /nfs/dbraw/zinc/35/31/31/1073353131.db2.gz RUMKFCGBILGLNR-WDSKDSINSA-N 1 0 441.247 -0.098 20 0 IBADRO COc1nccc(N)c1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218633277 1073353999 /nfs/dbraw/zinc/35/39/99/1073353999.db2.gz ISLZBHBUTRZPBT-WBIUFABUSA-N 1 0 440.476 -0.488 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cn[nH]c(=O)c1Cl)C(=O)CF ZINC001218633962 1073354044 /nfs/dbraw/zinc/35/40/44/1073354044.db2.gz UNQBATQJWBZWDP-FZNYLWTLSA-N 1 0 446.867 -0.324 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(CC1CC1)c1nc(Br)cnc1N)C(N)=O ZINC001218635514 1073354801 /nfs/dbraw/zinc/35/48/01/1073354801.db2.gz GTESWLDQUJSFMM-WCBMZHEXSA-N 1 0 442.318 -0.338 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(CC1CC1)c1nc(Br)cnc1N ZINC001218636483 1073354831 /nfs/dbraw/zinc/35/48/31/1073354831.db2.gz WUICKLPBNFTGAU-CBAPKCEASA-N 1 0 428.291 -0.728 20 0 IBADRO CCOC(=O)c1cc(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)n(C)n1 ZINC001218636746 1073355099 /nfs/dbraw/zinc/35/50/99/1073355099.db2.gz GYHDBOHJGMVGHC-KBPBESRZSA-N 1 0 436.513 -0.066 20 0 IBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640238 1073355079 /nfs/dbraw/zinc/35/50/79/1073355079.db2.gz GSYMKDIEZAFOTL-IRXDYDNUSA-N 1 0 431.497 -0.916 20 0 IBADRO Cc1nc(Cl)c(N)c(=N)n1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001218642247 1073355090 /nfs/dbraw/zinc/35/50/90/1073355090.db2.gz QVDITNATHBULEJ-RYUDHWBXSA-N 1 0 425.921 -0.054 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001218643552 1073355009 /nfs/dbraw/zinc/35/50/09/1073355009.db2.gz MSADPIVOUJUQNU-OBJOEFQTSA-N 1 0 430.469 -0.472 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ncnc2c1ncn2[C@H]1CCCO1 ZINC001218643553 1073354988 /nfs/dbraw/zinc/35/49/88/1073354988.db2.gz MSADPIVOUJUQNU-SGMGOOAPSA-N 1 0 430.469 -0.472 20 0 IBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)n1c(N)c2nc(-c3cccc(O)c3)cnc2nc1=N ZINC001218645251 1073354817 /nfs/dbraw/zinc/35/48/17/1073354817.db2.gz CKTUPHOIFIXFCC-UHFFFAOYSA-N 1 0 432.466 -0.879 20 0 IBADRO N=c1nc2ncc(-c3cccc(O)c3)nc2c(N)n1C(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218647995 1073354851 /nfs/dbraw/zinc/35/48/51/1073354851.db2.gz RAFKXFKPBCZKGY-GFCCVEGCSA-N 1 0 441.473 -0.323 20 0 IBADRO N=c1nc2ncc(-c3cccc(O)c3)nc2c(N)n1C(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218647996 1073354967 /nfs/dbraw/zinc/35/49/67/1073354967.db2.gz RAFKXFKPBCZKGY-LBPRGKRZSA-N 1 0 441.473 -0.323 20 0 IBADRO CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001218650068 1073355065 /nfs/dbraw/zinc/35/50/65/1073355065.db2.gz MXFAMFWRIBNGBQ-NKWVEPMBSA-N 1 0 435.268 -0.004 20 0 IBADRO Cc1c[nH]c(=O)cc1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218651402 1073354946 /nfs/dbraw/zinc/35/49/46/1073354946.db2.gz JKYPAHYSHVGYQT-BNLOLNQZSA-N 1 0 425.461 -0.064 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nc(Cl)cnc1N)C(=O)CF ZINC001218652965 1073355421 /nfs/dbraw/zinc/35/54/21/1073355421.db2.gz SUPSSWBUXMAFCP-RVBZMBCESA-N 1 0 445.883 -0.448 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccn2cnnc2c1)C(=O)CF ZINC001218658854 1073355442 /nfs/dbraw/zinc/35/54/42/1073355442.db2.gz KUJFJCORKWEZJP-BNLOLNQZSA-N 1 0 435.460 -0.431 20 0 IBADRO CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001218659027 1073355330 /nfs/dbraw/zinc/35/53/30/1073355330.db2.gz GNRSVKXLDCYIRA-GWCFXTLKSA-N 1 0 434.428 -0.166 20 0 IBADRO COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218660739 1073355437 /nfs/dbraw/zinc/35/54/37/1073355437.db2.gz OTCICTPGECTHBP-AWEZNQCLSA-N 1 0 437.464 -0.011 20 0 IBADRO COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001218660741 1073355455 /nfs/dbraw/zinc/35/54/55/1073355455.db2.gz OTCICTPGECTHBP-CQSZACIVSA-N 1 0 437.464 -0.011 20 0 IBADRO COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001218661771 1073355459 /nfs/dbraw/zinc/35/54/59/1073355459.db2.gz QOKLBZLJHQLUJW-WCQYABFASA-N 1 0 431.453 -0.851 20 0 IBADRO Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001218661876 1073355402 /nfs/dbraw/zinc/35/54/02/1073355402.db2.gz QMJPRRDHTCCOGX-HOCLYGCPSA-N 1 0 436.490 -0.515 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1c(Cl)nc(Cl)cc1C(N)=O ZINC001218668360 1073355468 /nfs/dbraw/zinc/35/54/68/1073355468.db2.gz ZNLDBSXMPNNJCJ-CBAPKCEASA-N 1 0 431.280 -0.120 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nc(N)cnc1Cl)C(=O)CF ZINC001218674213 1073355477 /nfs/dbraw/zinc/35/54/77/1073355477.db2.gz VAGKHBBQEFEULF-RVBZMBCESA-N 1 0 445.883 -0.448 20 0 IBADRO CC(=O)NCSC[C@H]([NH3+])C(=O)Nc1ncc(I)cc1C(N)=O ZINC001218674626 1073355293 /nfs/dbraw/zinc/35/52/93/1073355293.db2.gz CGCZYKWBYOLHBP-VIFPVBQESA-N 1 0 437.263 -0.122 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(I)c2nccn2c1 ZINC001218674920 1073355314 /nfs/dbraw/zinc/35/53/14/1073355314.db2.gz JHMHWEDQQXGWEN-XVKPBYJWSA-N 1 0 444.233 -0.415 20 0 IBADRO NC(=O)c1cc(I)cnc1NC(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001218674981 1073355386 /nfs/dbraw/zinc/35/53/86/1073355386.db2.gz KOJRJFITDDCYND-JTQLQIEISA-N 1 0 443.245 -0.161 20 0 IBADRO NC(=O)c1cc(I)cnc1NC(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001218674982 1073355431 /nfs/dbraw/zinc/35/54/31/1073355431.db2.gz KOJRJFITDDCYND-SNVBAGLBSA-N 1 0 443.245 -0.161 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1ncc(N)cc1I)C(N)=O ZINC001218678658 1073355391 /nfs/dbraw/zinc/35/53/91/1073355391.db2.gz BFXFIRHXPFJQNS-IMTBSYHQSA-N 1 0 434.238 -0.696 20 0 IBADRO CCOc1cc(N)n(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])c(=N)n1 ZINC001218681033 1073355738 /nfs/dbraw/zinc/35/57/38/1073355738.db2.gz OJQPNNQENQOUEV-IHRRRGAJSA-N 1 0 435.529 -0.147 20 0 IBADRO Cc1cc(Oc2ccccc2)ncc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001218681633 1073355717 /nfs/dbraw/zinc/35/57/17/1073355717.db2.gz GLMYCMORNKKYSE-UHFFFAOYSA-N 1 0 428.449 -0.572 20 0 IBADRO CCOC(=O)c1ncncc1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001218681693 1073355916 /nfs/dbraw/zinc/35/59/16/1073355916.db2.gz YMZODAJWJLEYEV-KBPBESRZSA-N 1 0 434.497 -0.009 20 0 IBADRO Cc1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)cc(=O)o1 ZINC001218682032 1073355851 /nfs/dbraw/zinc/35/58/51/1073355851.db2.gz KNJJMGBGHPVNJN-BNLOLNQZSA-N 1 0 426.445 -0.212 20 0 IBADRO COc1ccc(N)c(N(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2COC(C)(C)OC2)n1 ZINC001218686081 1073355755 /nfs/dbraw/zinc/35/57/55/1073355755.db2.gz TVDBBYCXCBWRQY-UHFFFAOYSA-N 1 0 431.515 -0.623 20 0 IBADRO CSc1nc(Br)c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])n2ccnc12 ZINC001218688980 1073355763 /nfs/dbraw/zinc/35/57/63/1073355763.db2.gz UXJIBIMLQOUQEI-BQBZGAKWSA-N 1 0 444.315 -0.140 20 0 IBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218695722 1073356016 /nfs/dbraw/zinc/35/60/16/1073356016.db2.gz GLUYAONHNZKFEM-IHRRRGAJSA-N 1 0 447.540 -0.717 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cc(Cl)nc(N2CCOCC2)c1 ZINC001218697522 1073355891 /nfs/dbraw/zinc/35/58/91/1073355891.db2.gz ALEGDBPARMEOPQ-JSGCOSHPSA-N 1 0 438.916 -0.036 20 0 IBADRO Cc1nnc2cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)ccn12 ZINC001218700068 1073355994 /nfs/dbraw/zinc/35/59/94/1073355994.db2.gz VGOONOADDZAMOO-MIUNTBIASA-N 1 0 449.487 -0.122 20 0 IBADRO COCn1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)cn1 ZINC001218701533 1073355931 /nfs/dbraw/zinc/35/59/31/1073355931.db2.gz VLKXPTFXZJDNAF-RBOXIYTFSA-N 1 0 428.465 -0.673 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001218701618 1073355868 /nfs/dbraw/zinc/35/58/68/1073355868.db2.gz BGBAOXKZMXKQDK-INIZCTEOSA-N 1 0 440.508 -0.235 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC001218701620 1073355961 /nfs/dbraw/zinc/35/59/61/1073355961.db2.gz BGBAOXKZMXKQDK-MRXNPFEDSA-N 1 0 440.508 -0.235 20 0 IBADRO CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001218701644 1073355700 /nfs/dbraw/zinc/35/57/00/1073355700.db2.gz BVCPBCOSLHGHSH-HNNXBMFYSA-N 1 0 428.497 -0.203 20 0 IBADRO CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001218701645 1073355830 /nfs/dbraw/zinc/35/58/30/1073355830.db2.gz BVCPBCOSLHGHSH-OAHLLOKOSA-N 1 0 428.497 -0.203 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001218702048 1073355781 /nfs/dbraw/zinc/35/57/81/1073355781.db2.gz JIPHEVXAXROKFT-HNNXBMFYSA-N 1 0 446.537 -0.001 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001218702050 1073355730 /nfs/dbraw/zinc/35/57/30/1073355730.db2.gz JIPHEVXAXROKFT-OAHLLOKOSA-N 1 0 446.537 -0.001 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O ZINC001218702302 1073356335 /nfs/dbraw/zinc/35/63/35/1073356335.db2.gz NROFMQSEGDBGFO-FKIZINRSSA-N 1 0 438.448 -0.989 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O ZINC001218702303 1073356413 /nfs/dbraw/zinc/35/64/13/1073356413.db2.gz NROFMQSEGDBGFO-MPBGBICISA-N 1 0 438.448 -0.989 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1C[NH2+]C[C@]12c1ccccc1NC2=O ZINC001218702304 1073356311 /nfs/dbraw/zinc/35/63/11/1073356311.db2.gz NROFMQSEGDBGFO-ODXCJYRJSA-N 1 0 438.448 -0.989 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1C[NH2+]C[C@]12c1ccccc1NC2=O ZINC001218702305 1073356419 /nfs/dbraw/zinc/35/64/19/1073356419.db2.gz NROFMQSEGDBGFO-YUNKPMOVSA-N 1 0 438.448 -0.989 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001218702322 1073356427 /nfs/dbraw/zinc/35/64/27/1073356427.db2.gz OADJONUDXVPBKF-UHFFFAOYSA-N 1 0 426.481 -0.091 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1oncc1C(N)=O ZINC001218702482 1073356391 /nfs/dbraw/zinc/35/63/91/1073356391.db2.gz RGNARBXQKKTRJU-HOCLYGCPSA-N 1 0 430.465 -0.461 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001218702836 1073356272 /nfs/dbraw/zinc/35/62/72/1073356272.db2.gz XHDIRGAXQXBSCQ-INIZCTEOSA-N 1 0 439.476 -0.017 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001218702837 1073356365 /nfs/dbraw/zinc/35/63/65/1073356365.db2.gz XHDIRGAXQXBSCQ-MRXNPFEDSA-N 1 0 439.476 -0.017 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001218702860 1073356385 /nfs/dbraw/zinc/35/63/85/1073356385.db2.gz XXZCTSDLZPOOTB-UHFFFAOYSA-N 1 0 426.481 -0.091 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001218703586 1073356279 /nfs/dbraw/zinc/35/62/79/1073356279.db2.gz GFKQDQNFRUKYOF-LHSJRXKWSA-N 1 0 438.492 -0.373 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001218703588 1073356357 /nfs/dbraw/zinc/35/63/57/1073356357.db2.gz GFKQDQNFRUKYOF-QKKBWIMNSA-N 1 0 438.492 -0.373 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001218703589 1073356252 /nfs/dbraw/zinc/35/62/52/1073356252.db2.gz GFKQDQNFRUKYOF-SPLOXXLWSA-N 1 0 438.492 -0.373 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001218703590 1073356288 /nfs/dbraw/zinc/35/62/88/1073356288.db2.gz GFKQDQNFRUKYOF-SZNDQCEHSA-N 1 0 438.492 -0.373 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001218704214 1073356342 /nfs/dbraw/zinc/35/63/42/1073356342.db2.gz MVYCXUJBYUWWNA-CQSZACIVSA-N 1 0 443.464 -0.248 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001218704441 1073356298 /nfs/dbraw/zinc/35/62/98/1073356298.db2.gz RKWLKMQUSRPPOA-UHFFFAOYSA-N 1 0 440.508 -0.105 20 0 IBADRO N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001218704523 1073356404 /nfs/dbraw/zinc/35/64/04/1073356404.db2.gz VZPGPLFZBFDGIF-UHFFFAOYSA-N 1 0 426.481 -0.645 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cnc2c(cccc2C(F)(F)F)c1 ZINC001218707182 1073356320 /nfs/dbraw/zinc/35/63/20/1073356320.db2.gz OBYZZSPXTHNLOK-UHFFFAOYSA-N 1 0 440.382 -0.501 20 0 IBADRO CC(=O)c1nn(C)cc1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218707221 1073356261 /nfs/dbraw/zinc/35/62/61/1073356261.db2.gz GDWFNKRVZKXBGT-PKWAYOAASA-N 1 0 440.476 -0.537 20 0 IBADRO COc1cc2cc(C(N)=O)c(NC(=O)CN(CC[NH3+])S(C)(=O)=O)nc2cc1OC ZINC001218709640 1073356742 /nfs/dbraw/zinc/35/67/42/1073356742.db2.gz AUDYAHQILWLSBD-UHFFFAOYSA-N 1 0 425.467 -0.490 20 0 IBADRO COc1cc2cc(C(N)=O)c(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)nc2cc1OC ZINC001218709672 1073356702 /nfs/dbraw/zinc/35/67/02/1073356702.db2.gz BDPMALXXZUNSRS-JOYOIKCWSA-N 1 0 446.464 -0.613 20 0 IBADRO CCOC(=O)c1nc(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)cn1C ZINC001218709994 1073356848 /nfs/dbraw/zinc/35/68/48/1073356848.db2.gz NIKRCRDANJEYLC-KBPBESRZSA-N 1 0 436.513 -0.066 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1ncccc1N1CCOCC1 ZINC001218713232 1073356654 /nfs/dbraw/zinc/35/66/54/1073356654.db2.gz QAYSMPGCMLOSNO-IRXDYDNUSA-N 1 0 429.477 -0.391 20 0 IBADRO CCOc1cc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)cc(C(=O)OC)n1 ZINC001218717067 1073356675 /nfs/dbraw/zinc/35/66/75/1073356675.db2.gz OIKTVSBTZQGGJO-RDJZCZTQSA-N 1 0 446.460 -0.042 20 0 IBADRO Cc1cc(=O)c(N)c(C)n1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218719027 1073356747 /nfs/dbraw/zinc/35/67/47/1073356747.db2.gz VLPAMKNXAWFPTJ-BNLOLNQZSA-N 1 0 439.488 -0.411 20 0 IBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724214 1073356792 /nfs/dbraw/zinc/35/67/92/1073356792.db2.gz NAAQEUYDWMUULB-IHRRRGAJSA-N 1 0 447.540 -0.518 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(-c2ccccc2)nn1C1CCC1 ZINC001218726710 1073356799 /nfs/dbraw/zinc/35/67/99/1073356799.db2.gz REZBFYRKABAKJM-UHFFFAOYSA-N 1 0 441.492 -0.479 20 0 IBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730471 1073356766 /nfs/dbraw/zinc/35/67/66/1073356766.db2.gz BNXJOKJZIKYTTC-WFGGJUAMSA-N 1 0 434.497 -0.705 20 0 IBADRO COC(=O)c1cc(Br)cc(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)n1 ZINC001218733548 1073356775 /nfs/dbraw/zinc/35/67/75/1073356775.db2.gz GTXKPGJOZAQQAV-IONNQARKSA-N 1 0 430.259 -0.333 20 0 IBADRO CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC1 ZINC001218735547 1073356755 /nfs/dbraw/zinc/35/67/55/1073356755.db2.gz QAFBIWZOTGRKTP-XJKSGUPXSA-N 1 0 435.529 -0.514 20 0 IBADRO CC(=O)N1CCC(n2nccc2NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001218736005 1073356714 /nfs/dbraw/zinc/35/67/14/1073356714.db2.gz TUOHOIPLMPJTDM-BBRMVZONSA-N 1 0 433.513 -0.541 20 0 IBADRO CCN=c1ncc(N)cn1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001218739560 1073356824 /nfs/dbraw/zinc/35/68/24/1073356824.db2.gz FIOPOKNMTHYNHG-HKUYNNGSSA-N 1 0 441.536 -0.147 20 0 IBADRO CCN=c1ccc(N)cn1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218741029 1073356734 /nfs/dbraw/zinc/35/67/34/1073356734.db2.gz INEMQNWZIBEXJW-YEWDVWPNSA-N 1 0 438.504 -0.467 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cc(N(C)C)n[nH]1)C(=O)CF ZINC001218742240 1073357008 /nfs/dbraw/zinc/35/70/08/1073357008.db2.gz BOGZFFQJSVKBDB-MMPTUQATSA-N 1 0 427.481 -0.684 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC001218742978 1073357301 /nfs/dbraw/zinc/35/73/01/1073357301.db2.gz NHELGYYORDGBDL-UHFFFAOYSA-N 1 0 432.868 -0.352 20 0 IBADRO CN=c1c(N)cc(Cl)nn1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001218743327 1073357041 /nfs/dbraw/zinc/35/70/41/1073357041.db2.gz QFKMKNZONOAPHG-STQMWFEESA-N 1 0 425.921 -0.312 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cn(CCF)cn1)C(=O)CF ZINC001218744158 1073357135 /nfs/dbraw/zinc/35/71/35/1073357135.db2.gz YIVNGHKMTMJFOW-MKBNYLNASA-N 1 0 430.456 -0.307 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218747378 1073357189 /nfs/dbraw/zinc/35/71/89/1073357189.db2.gz ZABQALIZKDQBBE-OALUTQOASA-N 1 0 429.477 -0.391 20 0 IBADRO Cc1cnn(CCO)c1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001218749342 1073357051 /nfs/dbraw/zinc/35/70/51/1073357051.db2.gz AKPMWXAZUACJGI-XEZPLFJOSA-N 1 0 442.492 -0.976 20 0 IBADRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218750371 1073357170 /nfs/dbraw/zinc/35/71/70/1073357170.db2.gz FZQYEZRRVVPDKS-STQMWFEESA-N 1 0 435.597 -0.014 20 0 IBADRO Cc1cnn(CCO)c1NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001218750892 1073357066 /nfs/dbraw/zinc/35/70/66/1073357066.db2.gz YCJWHMDMCYZQBL-HKUYNNGSSA-N 1 0 444.536 -0.051 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001218751401 1073357256 /nfs/dbraw/zinc/35/72/56/1073357256.db2.gz GKFBLRQKEBXOBG-STQMWFEESA-N 1 0 425.392 -0.398 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218751494 1073357326 /nfs/dbraw/zinc/35/73/26/1073357326.db2.gz ZPEMIVNECYRGBR-GJZGRUSLSA-N 1 0 440.526 -0.933 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1ccc(N)cn1)[C@H]1CC[C@H](O)CC1 ZINC001218751719 1073357339 /nfs/dbraw/zinc/35/73/39/1073357339.db2.gz ABWVCRKDDDORRI-HJWJTTGWSA-N 1 0 432.525 -0.245 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccn2cc(-c3ccccc3)nc2c1 ZINC001218753898 1073357215 /nfs/dbraw/zinc/35/72/15/1073357215.db2.gz RAAJZKYJLSOBTD-UHFFFAOYSA-N 1 0 437.460 -0.753 20 0 IBADRO C[C@@H]([NH3+])C(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001218755045 1073357113 /nfs/dbraw/zinc/35/71/13/1073357113.db2.gz YYILVXPVYUXHRN-SFKDOBOXSA-N 1 0 447.233 -0.038 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC001218755084 1073357281 /nfs/dbraw/zinc/35/72/81/1073357281.db2.gz DWBQXAXMHPOSAV-UHFFFAOYSA-N 1 0 441.492 -0.614 20 0 IBADRO CCOC(=O)c1ncc(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)cn1 ZINC001218756738 1073357242 /nfs/dbraw/zinc/35/72/42/1073357242.db2.gz HBZZCJYBQGRLDZ-GJZGRUSLSA-N 1 0 434.497 -0.009 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnc2c(Cl)nc(Br)cn12 ZINC001218760336 1073357364 /nfs/dbraw/zinc/35/73/64/1073357364.db2.gz RUPGARGRCSCJBW-WDSKDSINSA-N 1 0 432.666 -0.209 20 0 IBADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)c1csc(N2CC[NH2+]CC2)n1 ZINC001218770039 1073357128 /nfs/dbraw/zinc/35/71/28/1073357128.db2.gz BBACXJNDOBSZDY-UHFFFAOYSA-N 1 0 432.510 -0.361 20 0 IBADRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770068 1073357082 /nfs/dbraw/zinc/35/70/82/1073357082.db2.gz BYBVIDAUSXQVQD-WMZOPIPTSA-N 1 0 428.493 -0.220 20 0 IBADRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770411 1073357644 /nfs/dbraw/zinc/35/76/44/1073357644.db2.gz FYUVSFTVCLUPKK-INIZCTEOSA-N 1 0 441.492 -0.855 20 0 IBADRO COC(=O)c1cc(-c2ccn(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c(=N)c2N)ccc1C ZINC001218770549 1073357770 /nfs/dbraw/zinc/35/77/70/1073357770.db2.gz GIFDNWRXPVSSAP-NHYWBVRUSA-N 1 0 442.476 -0.341 20 0 IBADRO [NH3+][C@H](C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21)C1CCC2(CC1)OCCO2 ZINC001218770557 1073357739 /nfs/dbraw/zinc/35/77/39/1073357739.db2.gz JACXKFWTEWNDHN-KRWDZBQOSA-N 1 0 434.497 -0.281 20 0 IBADRO [NH3+][C@@H](C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21)C1CCC2(CC1)OCCO2 ZINC001218770558 1073357724 /nfs/dbraw/zinc/35/77/24/1073357724.db2.gz JACXKFWTEWNDHN-QGZVFWFLSA-N 1 0 434.497 -0.281 20 0 IBADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001218770679 1073357699 /nfs/dbraw/zinc/35/76/99/1073357699.db2.gz LNZDGKXRERKKEM-AWEZNQCLSA-N 1 0 427.465 -0.092 20 0 IBADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001218770680 1073357530 /nfs/dbraw/zinc/35/75/30/1073357530.db2.gz LNZDGKXRERKKEM-CQSZACIVSA-N 1 0 427.465 -0.092 20 0 IBADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001218770699 1073357575 /nfs/dbraw/zinc/35/75/75/1073357575.db2.gz MABCNODGPJOVHP-HNNXBMFYSA-N 1 0 440.508 -0.394 20 0 IBADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001218770700 1073357683 /nfs/dbraw/zinc/35/76/83/1073357683.db2.gz MABCNODGPJOVHP-OAHLLOKOSA-N 1 0 440.508 -0.394 20 0 IBADRO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)cc1 ZINC001218770916 1073357621 /nfs/dbraw/zinc/35/76/21/1073357621.db2.gz OYESRHYTWKBGPF-HNNXBMFYSA-N 1 0 427.465 -0.872 20 0 IBADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001218771221 1073357540 /nfs/dbraw/zinc/35/75/40/1073357540.db2.gz WPXDFNPYDZCUCW-GJZGRUSLSA-N 1 0 431.497 -0.798 20 0 IBADRO O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)c1cccnc1N1CC[NH2+]CC1 ZINC001218771258 1073357521 /nfs/dbraw/zinc/35/75/21/1073357521.db2.gz XBOALVGXIADVHF-UHFFFAOYSA-N 1 0 426.481 -0.423 20 0 IBADRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218771365 1073357664 /nfs/dbraw/zinc/35/76/64/1073357664.db2.gz YJSJZBMWCFOJCQ-INIZCTEOSA-N 1 0 441.492 -0.855 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)n1c(C(N)=O)c(N)sc1=Nc1ccccc1)C(N)=O ZINC001218774560 1073357585 /nfs/dbraw/zinc/35/75/85/1073357585.db2.gz WGHKWNRREIQGJA-GXSJLCMTSA-N 1 0 433.494 -0.799 20 0 IBADRO COCCN1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CC1=O ZINC001218774904 1073357690 /nfs/dbraw/zinc/35/76/90/1073357690.db2.gz CJMXZUGXNALESP-JHJVBQTASA-N 1 0 426.905 -0.875 20 0 IBADRO COCCN1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CC1=O ZINC001218774905 1073357550 /nfs/dbraw/zinc/35/75/50/1073357550.db2.gz CJMXZUGXNALESP-UPJWGTAASA-N 1 0 426.905 -0.875 20 0 IBADRO COCCN1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC1=O ZINC001218774906 1073357610 /nfs/dbraw/zinc/35/76/10/1073357610.db2.gz CJMXZUGXNALESP-XQQFMLRXSA-N 1 0 426.905 -0.875 20 0 IBADRO COCCN1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC1=O ZINC001218774907 1073358168 /nfs/dbraw/zinc/35/81/68/1073358168.db2.gz CJMXZUGXNALESP-YNEHKIRRSA-N 1 0 426.905 -0.875 20 0 IBADRO Nc1ncn(C(=O)CN2C(=O)C(=O)c3ccccc32)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775308 1073358194 /nfs/dbraw/zinc/35/81/94/1073358194.db2.gz GTBHOZZUQUZXKO-BXUZGUMPSA-N 1 0 444.879 -0.141 20 0 IBADRO Nc1ncn(C(=O)CN2C(=O)C(=O)c3ccccc32)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775309 1073358075 /nfs/dbraw/zinc/35/80/75/1073358075.db2.gz GTBHOZZUQUZXKO-FZMZJTMJSA-N 1 0 444.879 -0.141 20 0 IBADRO Nc1ncn(C(=O)CN2C(=O)C(=O)c3ccccc32)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775310 1073358049 /nfs/dbraw/zinc/35/80/49/1073358049.db2.gz GTBHOZZUQUZXKO-RISCZKNCSA-N 1 0 444.879 -0.141 20 0 IBADRO Nc1ncn(C(=O)CN2C(=O)C(=O)c3ccccc32)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775311 1073358160 /nfs/dbraw/zinc/35/81/60/1073358160.db2.gz GTBHOZZUQUZXKO-SMDDNHRTSA-N 1 0 444.879 -0.141 20 0 IBADRO CC1(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CCS(=O)(=O)CC1 ZINC001218776110 1073358039 /nfs/dbraw/zinc/35/80/39/1073358039.db2.gz ALFLZPMYJOZKIM-NEPJUHHUSA-N 1 0 431.946 -0.155 20 0 IBADRO CC1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CCS(=O)(=O)CC1 ZINC001218776121 1073357900 /nfs/dbraw/zinc/35/79/00/1073357900.db2.gz ALFLZPMYJOZKIM-NWDGAFQWSA-N 1 0 431.946 -0.155 20 0 IBADRO CC1(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CCS(=O)(=O)CC1 ZINC001218776124 1073358085 /nfs/dbraw/zinc/35/80/85/1073358085.db2.gz ALFLZPMYJOZKIM-RYUDHWBXSA-N 1 0 431.946 -0.155 20 0 IBADRO CC1(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CCS(=O)(=O)CC1 ZINC001218776125 1073358519 /nfs/dbraw/zinc/35/85/19/1073358519.db2.gz ALFLZPMYJOZKIM-VXGBXAGGSA-N 1 0 431.946 -0.155 20 0 IBADRO Nc1ncn(C(=O)c2cc(N3CCOCC3)ccn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776702 1073358508 /nfs/dbraw/zinc/35/85/08/1073358508.db2.gz CBTMGZLJGPZPNZ-BBRMVZONSA-N 1 0 447.927 -0.090 20 0 IBADRO Nc1ncn(C(=O)c2cc(N3CCOCC3)ccn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218776704 1073358468 /nfs/dbraw/zinc/35/84/68/1073358468.db2.gz CBTMGZLJGPZPNZ-CJNGLKHVSA-N 1 0 447.927 -0.090 20 0 IBADRO Nc1ncn(C(=O)c2cc(N3CCOCC3)ccn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776707 1073358460 /nfs/dbraw/zinc/35/84/60/1073358460.db2.gz CBTMGZLJGPZPNZ-CZUORRHYSA-N 1 0 447.927 -0.090 20 0 IBADRO Nc1ncn(C(=O)c2cc(N3CCOCC3)ccn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218776708 1073358523 /nfs/dbraw/zinc/35/85/23/1073358523.db2.gz CBTMGZLJGPZPNZ-XJKSGUPXSA-N 1 0 447.927 -0.090 20 0 IBADRO Nc1ncn(C(=O)c2cncc(N3CCOCC3)n2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777088 1073358477 /nfs/dbraw/zinc/35/84/77/1073358477.db2.gz CKZDRFWADATRPG-GXTWGEPZSA-N 1 0 448.915 -0.695 20 0 IBADRO Nc1ncn(C(=O)c2cncc(N3CCOCC3)n2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777089 1073358481 /nfs/dbraw/zinc/35/84/81/1073358481.db2.gz CKZDRFWADATRPG-JSGCOSHPSA-N 1 0 448.915 -0.695 20 0 IBADRO Nc1ncn(C(=O)c2cncc(N3CCOCC3)n2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777090 1073358516 /nfs/dbraw/zinc/35/85/16/1073358516.db2.gz CKZDRFWADATRPG-OCCSQVGLSA-N 1 0 448.915 -0.695 20 0 IBADRO Nc1ncn(C(=O)c2cncc(N3CCOCC3)n2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777091 1073358472 /nfs/dbraw/zinc/35/84/72/1073358472.db2.gz CKZDRFWADATRPG-TZMCWYRMSA-N 1 0 448.915 -0.695 20 0 IBADRO Nc1ncn(C(=O)CCC(=O)N2CCOCC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777372 1073358499 /nfs/dbraw/zinc/35/84/99/1073358499.db2.gz PNQRZCPDMYXACN-CHWSQXEVSA-N 1 0 426.905 -0.731 20 0 IBADRO Nc1ncn(C(=O)CCC(=O)N2CCOCC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777373 1073358440 /nfs/dbraw/zinc/35/84/40/1073358440.db2.gz PNQRZCPDMYXACN-OLZOCXBDSA-N 1 0 426.905 -0.731 20 0 IBADRO 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Nc1ncn(C(=O)Cn2nc(Cl)ccc2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778004 1073358888 /nfs/dbraw/zinc/35/88/88/1073358888.db2.gz RJTNOYSJMSLXHR-NXEZZACHSA-N 1 0 428.280 -0.460 20 0 IBADRO Nc1ncn(C(=O)Cn2nc(Cl)ccc2=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778009 1073358866 /nfs/dbraw/zinc/35/88/66/1073358866.db2.gz RJTNOYSJMSLXHR-UWVGGRQHSA-N 1 0 428.280 -0.460 20 0 IBADRO Nc1ncn(C(=O)Cn2nc(Cl)ccc2=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778011 1073358923 /nfs/dbraw/zinc/35/89/23/1073358923.db2.gz RJTNOYSJMSLXHR-VHSXEESVSA-N 1 0 428.280 -0.460 20 0 IBADRO Nc1ncn(C(=O)Cn2nc(Cl)ccc2=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778012 1073359143 /nfs/dbraw/zinc/35/91/43/1073359143.db2.gz RJTNOYSJMSLXHR-ZJUUUORDSA-N 1 0 428.280 -0.460 20 0 IBADRO COC(=O)[C@H]1CCN(CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)C1 ZINC001218778744 1073359288 /nfs/dbraw/zinc/35/92/88/1073359288.db2.gz JIPLUUKMNIJMDZ-AGIUHOORSA-N 1 0 426.905 -0.875 20 0 IBADRO 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Cc1ccn2c(c1)ncc(C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O)c2=O ZINC001218778988 1073359094 /nfs/dbraw/zinc/35/90/94/1073359094.db2.gz AAQRGSIEHSAIMC-OCCSQVGLSA-N 1 0 443.895 -0.005 20 0 IBADRO Cc1ccn2c(c1)ncc(C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O)c2=O ZINC001218778990 1073359696 /nfs/dbraw/zinc/35/96/96/1073359696.db2.gz AAQRGSIEHSAIMC-TZMCWYRMSA-N 1 0 443.895 -0.005 20 0 IBADRO Nc1ncn(C(=O)CC2CCS(=O)(=O)CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779048 1073359619 /nfs/dbraw/zinc/35/96/19/1073359619.db2.gz VFIQCMWBOQRAGY-CHWSQXEVSA-N 1 0 431.946 -0.155 20 0 IBADRO Nc1ncn(C(=O)CC2CCS(=O)(=O)CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779051 1073359629 /nfs/dbraw/zinc/35/96/29/1073359629.db2.gz VFIQCMWBOQRAGY-OLZOCXBDSA-N 1 0 431.946 -0.155 20 0 IBADRO Nc1ncn(C(=O)CC2CCS(=O)(=O)CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779053 1073359764 /nfs/dbraw/zinc/35/97/64/1073359764.db2.gz VFIQCMWBOQRAGY-QWHCGFSZSA-N 1 0 431.946 -0.155 20 0 IBADRO Nc1ncn(C(=O)CC2CCS(=O)(=O)CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779054 1073359704 /nfs/dbraw/zinc/35/97/04/1073359704.db2.gz VFIQCMWBOQRAGY-STQMWFEESA-N 1 0 431.946 -0.155 20 0 IBADRO COC(=O)[C@@H]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CCN1 ZINC001218779471 1073359681 /nfs/dbraw/zinc/35/96/81/1073359681.db2.gz WLUDVQXDOWVOOY-FVCCEPFGSA-N 1 0 426.905 -0.829 20 0 IBADRO COC(=O)[C@@H]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CCN1 ZINC001218779473 1073359768 /nfs/dbraw/zinc/35/97/68/1073359768.db2.gz WLUDVQXDOWVOOY-MROQNXINSA-N 1 0 426.905 -0.829 20 0 IBADRO COC(=O)[C@@H]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CCN1 ZINC001218779475 1073359657 /nfs/dbraw/zinc/35/96/57/1073359657.db2.gz WLUDVQXDOWVOOY-NDBYEHHHSA-N 1 0 426.905 -0.829 20 0 IBADRO COC(=O)[C@@H]1C[C@H](C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CCN1 ZINC001218779478 1073359730 /nfs/dbraw/zinc/35/97/30/1073359730.db2.gz WLUDVQXDOWVOOY-VOAKCMCISA-N 1 0 426.905 -0.829 20 0 IBADRO CS(=O)(=O)N1CCC(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218779505 1073359759 /nfs/dbraw/zinc/35/97/59/1073359759.db2.gz NOWMWMOLNDYGJQ-CHWSQXEVSA-N 1 0 446.961 -0.698 20 0 IBADRO CS(=O)(=O)N1CCC(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218779520 1073359739 /nfs/dbraw/zinc/35/97/39/1073359739.db2.gz NOWMWMOLNDYGJQ-OLZOCXBDSA-N 1 0 446.961 -0.698 20 0 IBADRO CS(=O)(=O)N1CCC(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)CC1 ZINC001218779525 1073359637 /nfs/dbraw/zinc/35/96/37/1073359637.db2.gz NOWMWMOLNDYGJQ-QWHCGFSZSA-N 1 0 446.961 -0.698 20 0 IBADRO CS(=O)(=O)N1CCC(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)CC1 ZINC001218779529 1073359754 /nfs/dbraw/zinc/35/97/54/1073359754.db2.gz NOWMWMOLNDYGJQ-STQMWFEESA-N 1 0 446.961 -0.698 20 0 IBADRO Cc1nc2ccccn2c(=O)c1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218780131 1073360096 /nfs/dbraw/zinc/36/00/96/1073360096.db2.gz CXOJAYSUFATPHI-CHWSQXEVSA-N 1 0 443.895 -0.005 20 0 IBADRO Cc1nc2ccccn2c(=O)c1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218780132 1073360003 /nfs/dbraw/zinc/36/00/03/1073360003.db2.gz CXOJAYSUFATPHI-OLZOCXBDSA-N 1 0 443.895 -0.005 20 0 IBADRO Cc1nc2ccccn2c(=O)c1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218780134 1073360041 /nfs/dbraw/zinc/36/00/41/1073360041.db2.gz CXOJAYSUFATPHI-QWHCGFSZSA-N 1 0 443.895 -0.005 20 0 IBADRO Cc1nc2ccccn2c(=O)c1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218780136 1073359960 /nfs/dbraw/zinc/35/99/60/1073359960.db2.gz CXOJAYSUFATPHI-STQMWFEESA-N 1 0 443.895 -0.005 20 0 IBADRO Nc1ncn(C(=O)c2ccc(-n3cncn3)nc2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780751 1073360008 /nfs/dbraw/zinc/36/00/08/1073360008.db2.gz NXBSSKBTJFZACT-AAEUAGOBSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2ccc(-n3cncn3)nc2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780761 1073360104 /nfs/dbraw/zinc/36/01/04/1073360104.db2.gz NXBSSKBTJFZACT-DGCLKSJQSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2ccc(-n3cncn3)nc2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780764 1073359996 /nfs/dbraw/zinc/35/99/96/1073359996.db2.gz NXBSSKBTJFZACT-WCQYABFASA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2ccc(-n3cncn3)nc2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780766 1073360052 /nfs/dbraw/zinc/36/00/52/1073360052.db2.gz NXBSSKBTJFZACT-YPMHNXCESA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cnc(N3CCOCC3)nc2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781178 1073360400 /nfs/dbraw/zinc/36/04/00/1073360400.db2.gz PLNHADVMEICQNK-GXTWGEPZSA-N 1 0 448.915 -0.695 20 0 IBADRO Nc1ncn(C(=O)c2cnc(N3CCOCC3)nc2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781179 1073360451 /nfs/dbraw/zinc/36/04/51/1073360451.db2.gz PLNHADVMEICQNK-JSGCOSHPSA-N 1 0 448.915 -0.695 20 0 IBADRO Nc1ncn(C(=O)c2cnc(N3CCOCC3)nc2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218781181 1073360445 /nfs/dbraw/zinc/36/04/45/1073360445.db2.gz PLNHADVMEICQNK-OCCSQVGLSA-N 1 0 448.915 -0.695 20 0 IBADRO Nc1ncn(C(=O)c2cnc(N3CCOCC3)nc2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218781182 1073360424 /nfs/dbraw/zinc/36/04/24/1073360424.db2.gz PLNHADVMEICQNK-TZMCWYRMSA-N 1 0 448.915 -0.695 20 0 IBADRO Cn1c2ccc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)cc2n(C)c1=O ZINC001218781321 1073360439 /nfs/dbraw/zinc/36/04/39/1073360439.db2.gz HVBFPQHHVMOHBX-DOMZBBRYSA-N 1 0 445.911 -0.131 20 0 IBADRO Cn1c2ccc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)cc2n(C)c1=O ZINC001218781323 1073360384 /nfs/dbraw/zinc/36/03/84/1073360384.db2.gz HVBFPQHHVMOHBX-IUODEOHRSA-N 1 0 445.911 -0.131 20 0 IBADRO Cn1c2ccc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)cc2n(C)c1=O ZINC001218781325 1073360427 /nfs/dbraw/zinc/36/04/27/1073360427.db2.gz HVBFPQHHVMOHBX-SWLSCSKDSA-N 1 0 445.911 -0.131 20 0 IBADRO Cn1c2ccc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)cc2n(C)c1=O ZINC001218781327 1073360484 /nfs/dbraw/zinc/36/04/84/1073360484.db2.gz HVBFPQHHVMOHBX-WFASDCNBSA-N 1 0 445.911 -0.131 20 0 IBADRO Cn1c2ccccc2n(CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)c1=O ZINC001218781367 1073360417 /nfs/dbraw/zinc/36/04/17/1073360417.db2.gz RVAIYISLJJYIKR-DOMZBBRYSA-N 1 0 445.911 -0.016 20 0 IBADRO Cn1c2ccccc2n(CC(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)c1=O ZINC001218781370 1073360469 /nfs/dbraw/zinc/36/04/69/1073360469.db2.gz RVAIYISLJJYIKR-IUODEOHRSA-N 1 0 445.911 -0.016 20 0 IBADRO Cn1c2ccccc2n(CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)c1=O ZINC001218781371 1073360476 /nfs/dbraw/zinc/36/04/76/1073360476.db2.gz RVAIYISLJJYIKR-SWLSCSKDSA-N 1 0 445.911 -0.016 20 0 IBADRO Cn1c2ccccc2n(CC(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1=O ZINC001218781373 1073360510 /nfs/dbraw/zinc/36/05/10/1073360510.db2.gz RVAIYISLJJYIKR-WFASDCNBSA-N 1 0 445.911 -0.016 20 0 IBADRO CSCC[C@H](NC(C)=O)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218781389 1073360516 /nfs/dbraw/zinc/36/05/16/1073360516.db2.gz RYWHHFPNHDDBER-AGIUHOORSA-N 1 0 430.962 -0.112 20 0 IBADRO CSCC[C@H](NC(C)=O)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218781397 1073360495 /nfs/dbraw/zinc/36/04/95/1073360495.db2.gz RYWHHFPNHDDBER-AVGNSLFASA-N 1 0 430.962 -0.112 20 0 IBADRO CSCC[C@H](NC(C)=O)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218781399 1073360501 /nfs/dbraw/zinc/36/05/01/1073360501.db2.gz RYWHHFPNHDDBER-FRRDWIJNSA-N 1 0 430.962 -0.112 20 0 IBADRO CSCC[C@H](NC(C)=O)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218781401 1073360378 /nfs/dbraw/zinc/36/03/78/1073360378.db2.gz RYWHHFPNHDDBER-RWMBFGLXSA-N 1 0 430.962 -0.112 20 0 IBADRO CCn1nnc2c1[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O)CNC2 ZINC001218781426 1073360407 /nfs/dbraw/zinc/36/04/07/1073360407.db2.gz SDHXCFQODFHFOE-DMDPSCGWSA-N 1 0 435.920 -0.872 20 0 IBADRO CCn1nnc2c1[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O)CNC2 ZINC001218781436 1073360391 /nfs/dbraw/zinc/36/03/91/1073360391.db2.gz SDHXCFQODFHFOE-LOWVWBTDSA-N 1 0 435.920 -0.872 20 0 IBADRO CCn1nnc2c1[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O)CNC2 ZINC001218781437 1073360456 /nfs/dbraw/zinc/36/04/56/1073360456.db2.gz SDHXCFQODFHFOE-NQBHXWOUSA-N 1 0 435.920 -0.872 20 0 IBADRO CCn1nnc2c1[C@H](C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O)CNC2 ZINC001218781440 1073360897 /nfs/dbraw/zinc/36/08/97/1073360897.db2.gz SDHXCFQODFHFOE-WZRBSPASSA-N 1 0 435.920 -0.872 20 0 IBADRO COC(=O)[C@H](CCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O)NC(C)=O ZINC001218781441 1073360709 /nfs/dbraw/zinc/36/07/09/1073360709.db2.gz SFLYTKRNLREQFO-AGIUHOORSA-N 1 0 442.904 -0.912 20 0 IBADRO COC(=O)[C@H](CCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O)NC(C)=O ZINC001218781450 1073360755 /nfs/dbraw/zinc/36/07/55/1073360755.db2.gz SFLYTKRNLREQFO-AVGNSLFASA-N 1 0 442.904 -0.912 20 0 IBADRO COC(=O)[C@H](CCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O)NC(C)=O ZINC001218781453 1073360764 /nfs/dbraw/zinc/36/07/64/1073360764.db2.gz SFLYTKRNLREQFO-FRRDWIJNSA-N 1 0 442.904 -0.912 20 0 IBADRO COC(=O)[C@H](CCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O)NC(C)=O ZINC001218781455 1073360818 /nfs/dbraw/zinc/36/08/18/1073360818.db2.gz SFLYTKRNLREQFO-RWMBFGLXSA-N 1 0 442.904 -0.912 20 0 IBADRO COCCn1c(=O)cccc1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218781974 1073360886 /nfs/dbraw/zinc/36/08/86/1073360886.db2.gz AMECIRVUDXQFMB-GXTWGEPZSA-N 1 0 436.900 -0.514 20 0 IBADRO COCCn1c(=O)cccc1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218781975 1073360876 /nfs/dbraw/zinc/36/08/76/1073360876.db2.gz AMECIRVUDXQFMB-JSGCOSHPSA-N 1 0 436.900 -0.514 20 0 IBADRO COCCn1c(=O)cccc1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218781976 1073360860 /nfs/dbraw/zinc/36/08/60/1073360860.db2.gz AMECIRVUDXQFMB-OCCSQVGLSA-N 1 0 436.900 -0.514 20 0 IBADRO COCCn1c(=O)cccc1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218781977 1073360924 /nfs/dbraw/zinc/36/09/24/1073360924.db2.gz AMECIRVUDXQFMB-TZMCWYRMSA-N 1 0 436.900 -0.514 20 0 IBADRO Nc1ncn(C(=O)c2cnc3ccccn3c2=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782113 1073360773 /nfs/dbraw/zinc/36/07/73/1073360773.db2.gz JRLPPVUGIUSHNR-AAEUAGOBSA-N 1 0 429.868 -0.314 20 0 IBADRO Nc1ncn(C(=O)c2cnc3ccccn3c2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782119 1073360700 /nfs/dbraw/zinc/36/07/00/1073360700.db2.gz JRLPPVUGIUSHNR-DGCLKSJQSA-N 1 0 429.868 -0.314 20 0 IBADRO Nc1ncn(C(=O)c2cnc3ccccn3c2=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782121 1073360724 /nfs/dbraw/zinc/36/07/24/1073360724.db2.gz JRLPPVUGIUSHNR-WCQYABFASA-N 1 0 429.868 -0.314 20 0 IBADRO Nc1ncn(C(=O)c2cnc3ccccn3c2=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782122 1073360742 /nfs/dbraw/zinc/36/07/42/1073360742.db2.gz JRLPPVUGIUSHNR-YPMHNXCESA-N 1 0 429.868 -0.314 20 0 IBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218782537 1073360932 /nfs/dbraw/zinc/36/09/32/1073360932.db2.gz VFXJGOLSTSKDBM-BNOWGMLFSA-N 1 0 436.904 -0.900 20 0 IBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218782539 1073360780 /nfs/dbraw/zinc/36/07/80/1073360780.db2.gz VFXJGOLSTSKDBM-IACUBPJLSA-N 1 0 436.904 -0.900 20 0 IBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218782544 1073360829 /nfs/dbraw/zinc/36/08/29/1073360829.db2.gz VFXJGOLSTSKDBM-MRVWCRGKSA-N 1 0 436.904 -0.900 20 0 IBADRO CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218782548 1073361182 /nfs/dbraw/zinc/36/11/82/1073361182.db2.gz VFXJGOLSTSKDBM-YUTCNCBUSA-N 1 0 436.904 -0.900 20 0 IBADRO Nc1ncn(C(=O)c2cccc(-n3cnnn3)c2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782716 1073361251 /nfs/dbraw/zinc/36/12/51/1073361251.db2.gz CFJZMJNVYNDJOG-GXTWGEPZSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cccc(-n3cnnn3)c2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782719 1073361203 /nfs/dbraw/zinc/36/12/03/1073361203.db2.gz CFJZMJNVYNDJOG-JSGCOSHPSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cccc(-n3cnnn3)c2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782722 1073361281 /nfs/dbraw/zinc/36/12/81/1073361281.db2.gz CFJZMJNVYNDJOG-OCCSQVGLSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cccc(-n3cnnn3)c2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782724 1073361239 /nfs/dbraw/zinc/36/12/39/1073361239.db2.gz CFJZMJNVYNDJOG-TZMCWYRMSA-N 1 0 429.872 -0.346 20 0 IBADRO COCCn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)ccc1=O ZINC001218782732 1073361209 /nfs/dbraw/zinc/36/12/09/1073361209.db2.gz CJBRKOZGPJHBOV-GXTWGEPZSA-N 1 0 436.900 -0.514 20 0 IBADRO COCCn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)ccc1=O ZINC001218782733 1073361228 /nfs/dbraw/zinc/36/12/28/1073361228.db2.gz CJBRKOZGPJHBOV-JSGCOSHPSA-N 1 0 436.900 -0.514 20 0 IBADRO COCCn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)ccc1=O ZINC001218782734 1073361277 /nfs/dbraw/zinc/36/12/77/1073361277.db2.gz CJBRKOZGPJHBOV-OCCSQVGLSA-N 1 0 436.900 -0.514 20 0 IBADRO COCCn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)ccc1=O ZINC001218782735 1073361286 /nfs/dbraw/zinc/36/12/86/1073361286.db2.gz CJBRKOZGPJHBOV-TZMCWYRMSA-N 1 0 436.900 -0.514 20 0 IBADRO CS(=O)(=O)c1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)n1 ZINC001218782753 1073361269 /nfs/dbraw/zinc/36/12/69/1073361269.db2.gz CPZLTVNXZQRVCJ-CMPLNLGQSA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)n1 ZINC001218782768 1073361257 /nfs/dbraw/zinc/36/12/57/1073361257.db2.gz CPZLTVNXZQRVCJ-JQWIXIFHSA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)n1 ZINC001218782770 1073361177 /nfs/dbraw/zinc/36/11/77/1073361177.db2.gz CPZLTVNXZQRVCJ-PWSUYJOCSA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)n1 ZINC001218782772 1073361169 /nfs/dbraw/zinc/36/11/69/1073361169.db2.gz CPZLTVNXZQRVCJ-ZYHUDNBSSA-N 1 0 440.913 -0.523 20 0 IBADRO Nc1ncn(C(=O)Cc2csc(NC=O)n2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782898 1073361242 /nfs/dbraw/zinc/36/12/42/1073361242.db2.gz WPDMRUOBPGIGPD-GXSJLCMTSA-N 1 0 425.902 -0.103 20 0 IBADRO Nc1ncn(C(=O)Cc2csc(NC=O)n2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782902 1073361220 /nfs/dbraw/zinc/36/12/20/1073361220.db2.gz WPDMRUOBPGIGPD-KOLCDFICSA-N 1 0 425.902 -0.103 20 0 IBADRO Nc1ncn(C(=O)Cc2csc(NC=O)n2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782904 1073361233 /nfs/dbraw/zinc/36/12/33/1073361233.db2.gz WPDMRUOBPGIGPD-MWLCHTKSSA-N 1 0 425.902 -0.103 20 0 IBADRO Nc1ncn(C(=O)Cc2csc(NC=O)n2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782905 1073361292 /nfs/dbraw/zinc/36/12/92/1073361292.db2.gz WPDMRUOBPGIGPD-ONGXEEELSA-N 1 0 425.902 -0.103 20 0 IBADRO Nc1ncn(C(=O)c2cnc3n(c2=O)CCS3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782995 1073361158 /nfs/dbraw/zinc/36/11/58/1073361158.db2.gz NAFHPKYLEAQYOJ-GXSJLCMTSA-N 1 0 437.913 -0.659 20 0 IBADRO Nc1ncn(C(=O)c2cnc3n(c2=O)CCS3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782996 1073361262 /nfs/dbraw/zinc/36/12/62/1073361262.db2.gz NAFHPKYLEAQYOJ-KOLCDFICSA-N 1 0 437.913 -0.659 20 0 IBADRO Nc1ncn(C(=O)c2cnc3n(c2=O)CCS3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782997 1073361217 /nfs/dbraw/zinc/36/12/17/1073361217.db2.gz NAFHPKYLEAQYOJ-MWLCHTKSSA-N 1 0 437.913 -0.659 20 0 IBADRO Nc1ncn(C(=O)c2cnc3n(c2=O)CCS3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782998 1073361653 /nfs/dbraw/zinc/36/16/53/1073361653.db2.gz NAFHPKYLEAQYOJ-ONGXEEELSA-N 1 0 437.913 -0.659 20 0 IBADRO Nc1ncn(C(=O)c2n[nH]c(=O)c3ncccc23)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783003 1073361566 /nfs/dbraw/zinc/36/15/66/1073361566.db2.gz NDBHNOUMPQCREG-GXSJLCMTSA-N 1 0 430.856 -0.278 20 0 IBADRO Nc1ncn(C(=O)c2n[nH]c(=O)c3ncccc23)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783004 1073361495 /nfs/dbraw/zinc/36/14/95/1073361495.db2.gz NDBHNOUMPQCREG-KOLCDFICSA-N 1 0 430.856 -0.278 20 0 IBADRO Nc1ncn(C(=O)c2n[nH]c(=O)c3ncccc23)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783005 1073361597 /nfs/dbraw/zinc/36/15/97/1073361597.db2.gz NDBHNOUMPQCREG-MWLCHTKSSA-N 1 0 430.856 -0.278 20 0 IBADRO Nc1ncn(C(=O)c2n[nH]c(=O)c3ncccc23)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783006 1073361620 /nfs/dbraw/zinc/36/16/20/1073361620.db2.gz NDBHNOUMPQCREG-ONGXEEELSA-N 1 0 430.856 -0.278 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnc2nccn2c1)C(=O)CF ZINC001218783207 1073361659 /nfs/dbraw/zinc/36/16/59/1073361659.db2.gz BPBMXOMODROHNW-RBOXIYTFSA-N 1 0 435.460 -0.431 20 0 IBADRO Nc1ncn(C(=O)c2nc3ccccc3[nH]c2=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783455 1073361628 /nfs/dbraw/zinc/36/16/28/1073361628.db2.gz NTUYODOBLWMLTB-GWCFXTLKSA-N 1 0 429.868 -0.085 20 0 IBADRO Nc1ncn(C(=O)c2nc3ccccc3[nH]c2=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783459 1073361522 /nfs/dbraw/zinc/36/15/22/1073361522.db2.gz NTUYODOBLWMLTB-GXFFZTMASA-N 1 0 429.868 -0.085 20 0 IBADRO Nc1ncn(C(=O)c2nc3ccccc3[nH]c2=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783461 1073361557 /nfs/dbraw/zinc/36/15/57/1073361557.db2.gz NTUYODOBLWMLTB-MFKMUULPSA-N 1 0 429.868 -0.085 20 0 IBADRO Nc1ncn(C(=O)c2nc3ccccc3[nH]c2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783463 1073361647 /nfs/dbraw/zinc/36/16/47/1073361647.db2.gz NTUYODOBLWMLTB-ZWNOBZJWSA-N 1 0 429.868 -0.085 20 0 IBADRO Nc1ncn(C(=O)c2cn(-c3cnccn3)cn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783513 1073361578 /nfs/dbraw/zinc/36/15/78/1073361578.db2.gz DBXLXCYMOZUXDO-AAEUAGOBSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cn(-c3cnccn3)cn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783516 1073361505 /nfs/dbraw/zinc/36/15/05/1073361505.db2.gz DBXLXCYMOZUXDO-DGCLKSJQSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cn(-c3cnccn3)cn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783519 1073361589 /nfs/dbraw/zinc/36/15/89/1073361589.db2.gz DBXLXCYMOZUXDO-WCQYABFASA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cn(-c3cnccn3)cn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783522 1073361540 /nfs/dbraw/zinc/36/15/40/1073361540.db2.gz DBXLXCYMOZUXDO-YPMHNXCESA-N 1 0 429.872 -0.346 20 0 IBADRO CS(=O)(=O)c1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)ccn1 ZINC001218783541 1073361512 /nfs/dbraw/zinc/36/15/12/1073361512.db2.gz DEAVQDLRGFYODI-NEPJUHHUSA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)ccn1 ZINC001218783542 1073361548 /nfs/dbraw/zinc/36/15/48/1073361548.db2.gz DEAVQDLRGFYODI-NWDGAFQWSA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)ccn1 ZINC001218783543 1073361901 /nfs/dbraw/zinc/36/19/01/1073361901.db2.gz DEAVQDLRGFYODI-RYUDHWBXSA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)ccn1 ZINC001218783544 1073362077 /nfs/dbraw/zinc/36/20/77/1073362077.db2.gz DEAVQDLRGFYODI-VXGBXAGGSA-N 1 0 440.913 -0.523 20 0 IBADRO NC(=O)COc1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001218783593 1073361907 /nfs/dbraw/zinc/36/19/07/1073361907.db2.gz DIUNVCXWZZOOOT-GXTWGEPZSA-N 1 0 434.884 -0.458 20 0 IBADRO NC(=O)COc1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001218783596 1073362007 /nfs/dbraw/zinc/36/20/07/1073362007.db2.gz DIUNVCXWZZOOOT-JSGCOSHPSA-N 1 0 434.884 -0.458 20 0 IBADRO NC(=O)COc1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001218783598 1073361867 /nfs/dbraw/zinc/36/18/67/1073361867.db2.gz DIUNVCXWZZOOOT-OCCSQVGLSA-N 1 0 434.884 -0.458 20 0 IBADRO NC(=O)COc1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001218783599 1073361998 /nfs/dbraw/zinc/36/19/98/1073361998.db2.gz DIUNVCXWZZOOOT-TZMCWYRMSA-N 1 0 434.884 -0.458 20 0 IBADRO Nc1ncn(C(=O)CCC(=O)Nc2nncs2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218784063 1073361950 /nfs/dbraw/zinc/36/19/50/1073361950.db2.gz XWZQJSLXDQYTPG-NXEZZACHSA-N 1 0 440.917 -0.100 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(-c2ccc(Cl)s2)on1 ZINC001218784117 1073361885 /nfs/dbraw/zinc/36/18/85/1073361885.db2.gz QWTOIHBCUYOPHU-UHFFFAOYSA-N 1 0 428.858 -0.698 20 0 IBADRO Nc1ncn(C(=O)CCC(=O)Nc2nncs2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218784126 1073361991 /nfs/dbraw/zinc/36/19/91/1073361991.db2.gz XWZQJSLXDQYTPG-UWVGGRQHSA-N 1 0 440.917 -0.100 20 0 IBADRO Nc1ncn(C(=O)CCC(=O)Nc2nncs2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218784127 1073361945 /nfs/dbraw/zinc/36/19/45/1073361945.db2.gz XWZQJSLXDQYTPG-VHSXEESVSA-N 1 0 440.917 -0.100 20 0 IBADRO Nc1ncn(C(=O)CCC(=O)Nc2nncs2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218784130 1073361875 /nfs/dbraw/zinc/36/18/75/1073361875.db2.gz XWZQJSLXDQYTPG-ZJUUUORDSA-N 1 0 440.917 -0.100 20 0 IBADRO Cc1cc2nnc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)c(C)n2n1 ZINC001218784379 1073362011 /nfs/dbraw/zinc/36/20/11/1073362011.db2.gz PUTJAAXILJGDPR-NEPJUHHUSA-N 1 0 431.888 -0.267 20 0 IBADRO Cc1cc2nnc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)c(C)n2n1 ZINC001218784384 1073362367 /nfs/dbraw/zinc/36/23/67/1073362367.db2.gz PUTJAAXILJGDPR-NWDGAFQWSA-N 1 0 431.888 -0.267 20 0 IBADRO Cc1cc2nnc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)c(C)n2n1 ZINC001218784385 1073362338 /nfs/dbraw/zinc/36/23/38/1073362338.db2.gz PUTJAAXILJGDPR-RYUDHWBXSA-N 1 0 431.888 -0.267 20 0 IBADRO Cc1cc2nnc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)c(C)n2n1 ZINC001218784390 1073362403 /nfs/dbraw/zinc/36/24/03/1073362403.db2.gz PUTJAAXILJGDPR-VXGBXAGGSA-N 1 0 431.888 -0.267 20 0 IBADRO COC(=O)c1nc(Br)sc1NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001218784406 1073362288 /nfs/dbraw/zinc/36/22/88/1073362288.db2.gz KAFYNZCLFWQRIK-NTSWFWBYSA-N 1 0 436.288 -0.272 20 0 IBADRO Nc1ncn(C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218784407 1073362394 /nfs/dbraw/zinc/36/23/94/1073362394.db2.gz YJCMAPGYJLICDX-BREBYQMCSA-N 1 0 449.899 -0.364 20 0 IBADRO Nc1ncn(C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218784411 1073362309 /nfs/dbraw/zinc/36/23/09/1073362309.db2.gz YJCMAPGYJLICDX-GBIKHYSHSA-N 1 0 449.899 -0.364 20 0 IBADRO Nc1ncn(C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218784413 1073362361 /nfs/dbraw/zinc/36/23/61/1073362361.db2.gz YJCMAPGYJLICDX-GIPNMCIBSA-N 1 0 449.899 -0.364 20 0 IBADRO Nc1ncn(C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218784418 1073362261 /nfs/dbraw/zinc/36/22/61/1073362261.db2.gz YJCMAPGYJLICDX-NRUUGDAUSA-N 1 0 449.899 -0.364 20 0 IBADRO CNc1ccc2ncc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)n2n1 ZINC001218784487 1073362375 /nfs/dbraw/zinc/36/23/75/1073362375.db2.gz QHHMHEPKAODIEH-CMPLNLGQSA-N 1 0 431.888 -0.237 20 0 IBADRO CNc1ccc2ncc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)n2n1 ZINC001218784488 1073362355 /nfs/dbraw/zinc/36/23/55/1073362355.db2.gz QHHMHEPKAODIEH-JQWIXIFHSA-N 1 0 431.888 -0.237 20 0 IBADRO CNc1ccc2ncc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)n2n1 ZINC001218784493 1073362346 /nfs/dbraw/zinc/36/23/46/1073362346.db2.gz QHHMHEPKAODIEH-PWSUYJOCSA-N 1 0 431.888 -0.237 20 0 IBADRO CNc1ccc2ncc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)n2n1 ZINC001218784495 1073362333 /nfs/dbraw/zinc/36/23/33/1073362333.db2.gz QHHMHEPKAODIEH-ZYHUDNBSSA-N 1 0 431.888 -0.237 20 0 IBADRO Nc1ncn(C(=O)Cc2ccc(-n3cnnn3)cc2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218784586 1073362315 /nfs/dbraw/zinc/36/23/15/1073362315.db2.gz ZCILKNNRVSNIDO-DZGCQCFKSA-N 1 0 443.899 -0.152 20 0 IBADRO Nc1ncn(C(=O)Cc2ccc(-n3cnnn3)cc2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218784588 1073362322 /nfs/dbraw/zinc/36/23/22/1073362322.db2.gz ZCILKNNRVSNIDO-HIFRSBDPSA-N 1 0 443.899 -0.152 20 0 IBADRO Nc1ncn(C(=O)Cc2ccc(-n3cnnn3)cc2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218784590 1073362300 /nfs/dbraw/zinc/36/23/00/1073362300.db2.gz ZCILKNNRVSNIDO-UKRRQHHQSA-N 1 0 443.899 -0.152 20 0 IBADRO Nc1ncn(C(=O)Cc2ccc(-n3cnnn3)cc2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218784591 1073362385 /nfs/dbraw/zinc/36/23/85/1073362385.db2.gz ZCILKNNRVSNIDO-ZFWWWQNUSA-N 1 0 443.899 -0.152 20 0 IBADRO CSc1ncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)c(=O)[nH]1 ZINC001218785128 1073362268 /nfs/dbraw/zinc/36/22/68/1073362268.db2.gz RRAVWBAVPFDZON-PSASIEDQSA-N 1 0 425.902 -0.104 20 0 IBADRO CSc1ncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)c(=O)[nH]1 ZINC001218785129 1073362413 /nfs/dbraw/zinc/36/24/13/1073362413.db2.gz RRAVWBAVPFDZON-SCZZXKLOSA-N 1 0 425.902 -0.104 20 0 IBADRO CSc1ncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)c(=O)[nH]1 ZINC001218785130 1073362275 /nfs/dbraw/zinc/36/22/75/1073362275.db2.gz RRAVWBAVPFDZON-WCBMZHEXSA-N 1 0 425.902 -0.104 20 0 IBADRO CSc1ncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)c(=O)[nH]1 ZINC001218785131 1073362252 /nfs/dbraw/zinc/36/22/52/1073362252.db2.gz RRAVWBAVPFDZON-WPRPVWTQSA-N 1 0 425.902 -0.104 20 0 IBADRO COc1cccn2c(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)nnc12 ZINC001218785218 1073362598 /nfs/dbraw/zinc/36/25/98/1073362598.db2.gz UTBQIOVNBIVZOM-GHMZBOCLSA-N 1 0 432.872 -0.270 20 0 IBADRO Nc1ncn(C(=O)c2cccc3c2NC(=O)C3=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785288 1073362652 /nfs/dbraw/zinc/36/26/52/1073362652.db2.gz SIXDECQQRKWSNC-BXKDBHETSA-N 1 0 430.852 -0.187 20 0 IBADRO Nc1ncn(C(=O)c2cccc3c2NC(=O)C3=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785290 1073362748 /nfs/dbraw/zinc/36/27/48/1073362748.db2.gz SIXDECQQRKWSNC-CABZTGNLSA-N 1 0 430.852 -0.187 20 0 IBADRO Nc1ncn(C(=O)c2cccc3c2NC(=O)C3=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785291 1073362611 /nfs/dbraw/zinc/36/26/11/1073362611.db2.gz SIXDECQQRKWSNC-JOYOIKCWSA-N 1 0 430.852 -0.187 20 0 IBADRO Nc1ncn(C(=O)c2cccc3c2NC(=O)C3=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785292 1073362667 /nfs/dbraw/zinc/36/26/67/1073362667.db2.gz SIXDECQQRKWSNC-SKDRFNHKSA-N 1 0 430.852 -0.187 20 0 IBADRO COc1cccn2c(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)nnc12 ZINC001218785301 1073362801 /nfs/dbraw/zinc/36/28/01/1073362801.db2.gz UTBQIOVNBIVZOM-MNOVXSKESA-N 1 0 432.872 -0.270 20 0 IBADRO COc1cccn2c(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)nnc12 ZINC001218785304 1073362713 /nfs/dbraw/zinc/36/27/13/1073362713.db2.gz UTBQIOVNBIVZOM-QWRGUYRKSA-N 1 0 432.872 -0.270 20 0 IBADRO COc1cccn2c(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)nnc12 ZINC001218785307 1073362790 /nfs/dbraw/zinc/36/27/90/1073362790.db2.gz UTBQIOVNBIVZOM-WDEREUQCSA-N 1 0 432.872 -0.270 20 0 IBADRO COCCOc1cnc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)cn1 ZINC001218785430 1073362585 /nfs/dbraw/zinc/36/25/85/1073362585.db2.gz HHHVSHUDYMVLKB-AAEUAGOBSA-N 1 0 437.888 -0.507 20 0 IBADRO COCCOc1cnc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)cn1 ZINC001218785441 1073362733 /nfs/dbraw/zinc/36/27/33/1073362733.db2.gz HHHVSHUDYMVLKB-DGCLKSJQSA-N 1 0 437.888 -0.507 20 0 IBADRO COCCOc1cnc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)cn1 ZINC001218785444 1073362691 /nfs/dbraw/zinc/36/26/91/1073362691.db2.gz HHHVSHUDYMVLKB-WCQYABFASA-N 1 0 437.888 -0.507 20 0 IBADRO COCCOc1cnc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)cn1 ZINC001218785447 1073362684 /nfs/dbraw/zinc/36/26/84/1073362684.db2.gz HHHVSHUDYMVLKB-YPMHNXCESA-N 1 0 437.888 -0.507 20 0 IBADRO CS(=O)(=O)c1cncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001218785520 1073362634 /nfs/dbraw/zinc/36/26/34/1073362634.db2.gz HKAJZWQAXPDROL-GWCFXTLKSA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1cncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)c1 ZINC001218785523 1073362576 /nfs/dbraw/zinc/36/25/76/1073362576.db2.gz HKAJZWQAXPDROL-GXFFZTMASA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1cncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)c1 ZINC001218785526 1073362642 /nfs/dbraw/zinc/36/26/42/1073362642.db2.gz HKAJZWQAXPDROL-MFKMUULPSA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1cncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)c1 ZINC001218785529 1073362709 /nfs/dbraw/zinc/36/27/09/1073362709.db2.gz HKAJZWQAXPDROL-ZWNOBZJWSA-N 1 0 440.913 -0.523 20 0 IBADRO Cn1cnc2cc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)ccc2c1=O ZINC001218785754 1073362965 /nfs/dbraw/zinc/36/29/65/1073362965.db2.gz UGQGFTDFHFXOGL-DOMZBBRYSA-N 1 0 443.895 -0.075 20 0 IBADRO Cn1cnc2cc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)ccc2c1=O ZINC001218785757 1073363024 /nfs/dbraw/zinc/36/30/24/1073363024.db2.gz UGQGFTDFHFXOGL-IUODEOHRSA-N 1 0 443.895 -0.075 20 0 IBADRO Cn1cnc2cc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)ccc2c1=O ZINC001218785758 1073362975 /nfs/dbraw/zinc/36/29/75/1073362975.db2.gz UGQGFTDFHFXOGL-SWLSCSKDSA-N 1 0 443.895 -0.075 20 0 IBADRO Cn1cnc2cc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)ccc2c1=O ZINC001218785760 1073363128 /nfs/dbraw/zinc/36/31/28/1073363128.db2.gz UGQGFTDFHFXOGL-WFASDCNBSA-N 1 0 443.895 -0.075 20 0 IBADRO CS(=O)(=O)c1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)nc1 ZINC001218786076 1073363097 /nfs/dbraw/zinc/36/30/97/1073363097.db2.gz ICRKCXWUVIUMFZ-GWCFXTLKSA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)nc1 ZINC001218786079 1073363078 /nfs/dbraw/zinc/36/30/78/1073363078.db2.gz ICRKCXWUVIUMFZ-GXFFZTMASA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)nc1 ZINC001218786080 1073363035 /nfs/dbraw/zinc/36/30/35/1073363035.db2.gz ICRKCXWUVIUMFZ-MFKMUULPSA-N 1 0 440.913 -0.523 20 0 IBADRO CS(=O)(=O)c1ccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)nc1 ZINC001218786082 1073363109 /nfs/dbraw/zinc/36/31/09/1073363109.db2.gz ICRKCXWUVIUMFZ-ZWNOBZJWSA-N 1 0 440.913 -0.523 20 0 IBADRO Nc1ncn(C(=O)c2ccc3c(n2)NC(=O)CO3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786428 1073363102 /nfs/dbraw/zinc/36/31/02/1073363102.db2.gz YGAPPRUNGIQUSY-GXSJLCMTSA-N 1 0 433.856 -0.596 20 0 IBADRO Nc1ncn(C(=O)c2ccc3c(n2)NC(=O)CO3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786429 1073363087 /nfs/dbraw/zinc/36/30/87/1073363087.db2.gz YGAPPRUNGIQUSY-KOLCDFICSA-N 1 0 433.856 -0.596 20 0 IBADRO Nc1ncn(C(=O)c2ccc3c(n2)NC(=O)CO3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786430 1073363055 /nfs/dbraw/zinc/36/30/55/1073363055.db2.gz YGAPPRUNGIQUSY-MWLCHTKSSA-N 1 0 433.856 -0.596 20 0 IBADRO Nc1ncn(C(=O)c2ccc3c(n2)NC(=O)CO3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786431 1073363066 /nfs/dbraw/zinc/36/30/66/1073363066.db2.gz YGAPPRUNGIQUSY-ONGXEEELSA-N 1 0 433.856 -0.596 20 0 IBADRO Nc1ncn(C(=O)c2cnc(-c3ncccn3)nc2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786537 1073363135 /nfs/dbraw/zinc/36/31/35/1073363135.db2.gz XKRHEVLSTLPOOS-AAEUAGOBSA-N 1 0 441.883 -0.075 20 0 IBADRO Nc1ncn(C(=O)c2cnc(-c3ncccn3)nc2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786538 1073363047 /nfs/dbraw/zinc/36/30/47/1073363047.db2.gz XKRHEVLSTLPOOS-DGCLKSJQSA-N 1 0 441.883 -0.075 20 0 IBADRO Nc1ncn(C(=O)c2cnc(-c3ncccn3)nc2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786539 1073363092 /nfs/dbraw/zinc/36/30/92/1073363092.db2.gz XKRHEVLSTLPOOS-WCQYABFASA-N 1 0 441.883 -0.075 20 0 IBADRO Nc1ncn(C(=O)c2cnc(-c3ncccn3)nc2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786541 1073363013 /nfs/dbraw/zinc/36/30/13/1073363013.db2.gz XKRHEVLSTLPOOS-YPMHNXCESA-N 1 0 441.883 -0.075 20 0 IBADRO Nc1ncn(C(=O)c2ccccc2-c2nn[nH]n2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786575 1073362896 /nfs/dbraw/zinc/36/28/96/1073362896.db2.gz JAXOAUBLWBMHFG-GWCFXTLKSA-N 1 0 429.872 -0.142 20 0 IBADRO Nc1ncn(C(=O)c2ccccc2-c2nn[nH]n2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786577 1073363114 /nfs/dbraw/zinc/36/31/14/1073363114.db2.gz JAXOAUBLWBMHFG-GXFFZTMASA-N 1 0 429.872 -0.142 20 0 IBADRO Nc1ncn(C(=O)c2ccccc2-c2nn[nH]n2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786580 1073362985 /nfs/dbraw/zinc/36/29/85/1073362985.db2.gz JAXOAUBLWBMHFG-MFKMUULPSA-N 1 0 429.872 -0.142 20 0 IBADRO Nc1ncn(C(=O)c2ccccc2-c2nn[nH]n2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786583 1073362934 /nfs/dbraw/zinc/36/29/34/1073362934.db2.gz JAXOAUBLWBMHFG-ZWNOBZJWSA-N 1 0 429.872 -0.142 20 0 IBADRO Cc1cc(C)n2nc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@@H]3O)nc2n1 ZINC001218786883 1073363269 /nfs/dbraw/zinc/36/32/69/1073363269.db2.gz YMVQBRSFPDEJBV-NEPJUHHUSA-N 1 0 431.888 -0.267 20 0 IBADRO Cc1cc(C)n2nc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@H]3O)nc2n1 ZINC001218786884 1073363325 /nfs/dbraw/zinc/36/33/25/1073363325.db2.gz YMVQBRSFPDEJBV-NWDGAFQWSA-N 1 0 431.888 -0.267 20 0 IBADRO Cc1cc(C)n2nc(C(=O)n3cnc(N)c(Cl)c3=NC[C@@H]3CC[NH2+]C[C@@H]3O)nc2n1 ZINC001218786885 1073363287 /nfs/dbraw/zinc/36/32/87/1073363287.db2.gz YMVQBRSFPDEJBV-RYUDHWBXSA-N 1 0 431.888 -0.267 20 0 IBADRO Cc1cc(C)n2nc(C(=O)n3cnc(N)c(Cl)c3=NC[C@H]3CC[NH2+]C[C@H]3O)nc2n1 ZINC001218786886 1073363382 /nfs/dbraw/zinc/36/33/82/1073363382.db2.gz YMVQBRSFPDEJBV-VXGBXAGGSA-N 1 0 431.888 -0.267 20 0 IBADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218786893 1073363449 /nfs/dbraw/zinc/36/34/49/1073363449.db2.gz YDMPQBPNVGMNGS-AAXDQBDMSA-N 1 0 442.904 -0.914 20 0 IBADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218786895 1073363303 /nfs/dbraw/zinc/36/33/03/1073363303.db2.gz YDMPQBPNVGMNGS-FPQZTECRSA-N 1 0 442.904 -0.914 20 0 IBADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218786897 1073363259 /nfs/dbraw/zinc/36/32/59/1073363259.db2.gz YDMPQBPNVGMNGS-VCDKRKBESA-N 1 0 442.904 -0.914 20 0 IBADRO CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218786898 1073363400 /nfs/dbraw/zinc/36/34/00/1073363400.db2.gz YDMPQBPNVGMNGS-WFFHOREQSA-N 1 0 442.904 -0.914 20 0 IBADRO Nc1ncn(C(=O)c2cccc(OCCO)c2O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218787024 1073363371 /nfs/dbraw/zinc/36/33/71/1073363371.db2.gz ZFNKNISKVLZIFK-AAEUAGOBSA-N 1 0 437.884 -0.245 20 0 IBADRO Nc1ncn(C(=O)c2cccc(OCCO)c2O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218787025 1073363314 /nfs/dbraw/zinc/36/33/14/1073363314.db2.gz ZFNKNISKVLZIFK-DGCLKSJQSA-N 1 0 437.884 -0.245 20 0 IBADRO Nc1ncn(C(=O)c2cccc(OCCO)c2O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218787027 1073363391 /nfs/dbraw/zinc/36/33/91/1073363391.db2.gz ZFNKNISKVLZIFK-WCQYABFASA-N 1 0 437.884 -0.245 20 0 IBADRO Nc1ncn(C(=O)c2cccc(OCCO)c2O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218787028 1073363360 /nfs/dbraw/zinc/36/33/60/1073363360.db2.gz ZFNKNISKVLZIFK-YPMHNXCESA-N 1 0 437.884 -0.245 20 0 IBADRO Cn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)c(=O)c2cccn21 ZINC001218787054 1073363277 /nfs/dbraw/zinc/36/32/77/1073363277.db2.gz ZICMZNMEGUUOKM-BXUZGUMPSA-N 1 0 431.884 -0.370 20 0 IBADRO Cn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)c(=O)c2cccn21 ZINC001218787058 1073363295 /nfs/dbraw/zinc/36/32/95/1073363295.db2.gz ZICMZNMEGUUOKM-FZMZJTMJSA-N 1 0 431.884 -0.370 20 0 IBADRO Cn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)c(=O)c2cccn21 ZINC001218787060 1073363476 /nfs/dbraw/zinc/36/34/76/1073363476.db2.gz ZICMZNMEGUUOKM-RISCZKNCSA-N 1 0 431.884 -0.370 20 0 IBADRO Cn1cc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)c(=O)c2cccn21 ZINC001218787063 1073363335 /nfs/dbraw/zinc/36/33/35/1073363335.db2.gz ZICMZNMEGUUOKM-SMDDNHRTSA-N 1 0 431.884 -0.370 20 0 IBADRO Nc1ncn(C(=O)c2cnc(=O)n(CC3CC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218787308 1073363764 /nfs/dbraw/zinc/36/37/64/1073363764.db2.gz LBNQAHDAPAPJNY-GXTWGEPZSA-N 1 0 433.900 -0.355 20 0 IBADRO Nc1ncn(C(=O)c2cnc(=O)n(CC3CC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218787311 1073363555 /nfs/dbraw/zinc/36/35/55/1073363555.db2.gz LBNQAHDAPAPJNY-JSGCOSHPSA-N 1 0 433.900 -0.355 20 0 IBADRO Nc1ncn(C(=O)c2cnc(=O)n(CC3CC3)c2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218787312 1073363648 /nfs/dbraw/zinc/36/36/48/1073363648.db2.gz LBNQAHDAPAPJNY-OCCSQVGLSA-N 1 0 433.900 -0.355 20 0 IBADRO Nc1ncn(C(=O)c2cnc(=O)n(CC3CC3)c2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218787313 1073363754 /nfs/dbraw/zinc/36/37/54/1073363754.db2.gz LBNQAHDAPAPJNY-TZMCWYRMSA-N 1 0 433.900 -0.355 20 0 IBADRO Nc1ncn(C(=O)c2ccncc2N2CCOCC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218787324 1073363730 /nfs/dbraw/zinc/36/37/30/1073363730.db2.gz LDAYHYMOWWWPMA-BBRMVZONSA-N 1 0 447.927 -0.090 20 0 IBADRO Nc1ncn(C(=O)c2ccncc2N2CCOCC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218787327 1073363641 /nfs/dbraw/zinc/36/36/41/1073363641.db2.gz LDAYHYMOWWWPMA-CJNGLKHVSA-N 1 0 447.927 -0.090 20 0 IBADRO Nc1ncn(C(=O)c2ccncc2N2CCOCC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218787329 1073363624 /nfs/dbraw/zinc/36/36/24/1073363624.db2.gz LDAYHYMOWWWPMA-CZUORRHYSA-N 1 0 447.927 -0.090 20 0 IBADRO Nc1ncn(C(=O)c2ccncc2N2CCOCC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218787331 1073363600 /nfs/dbraw/zinc/36/36/00/1073363600.db2.gz LDAYHYMOWWWPMA-XJKSGUPXSA-N 1 0 447.927 -0.090 20 0 IBADRO CCc1c(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)c(C(N)=O)nn1C ZINC001218787785 1073363704 /nfs/dbraw/zinc/36/37/04/1073363704.db2.gz HLUZYDGYCBXAQO-STQMWFEESA-N 1 0 435.529 -0.581 20 0 IBADRO Nc1ncn(C(=O)c2cnn(-c3ncccn3)c2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218787868 1073363582 /nfs/dbraw/zinc/36/35/82/1073363582.db2.gz MPBZRERSBAUHPR-AAEUAGOBSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cnn(-c3ncccn3)c2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218787872 1073363693 /nfs/dbraw/zinc/36/36/93/1073363693.db2.gz MPBZRERSBAUHPR-DGCLKSJQSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cnn(-c3ncccn3)c2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218787873 1073363742 /nfs/dbraw/zinc/36/37/42/1073363742.db2.gz MPBZRERSBAUHPR-WCQYABFASA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cnn(-c3ncccn3)c2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218787874 1073363614 /nfs/dbraw/zinc/36/36/14/1073363614.db2.gz MPBZRERSBAUHPR-YPMHNXCESA-N 1 0 429.872 -0.346 20 0 IBADRO CCc1c(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])c(C(N)=O)nn1C ZINC001218788074 1073363658 /nfs/dbraw/zinc/36/36/58/1073363658.db2.gz KWBHDKGHROVLFW-YDHLFZDLSA-N 1 0 449.556 -0.111 20 0 IBADRO Nc1ncn(C(=O)c2cnc(-c3cnccn3)nc2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218788546 1073363590 /nfs/dbraw/zinc/36/35/90/1073363590.db2.gz ODGMAEBIQCUTLC-BXUZGUMPSA-N 1 0 441.883 -0.075 20 0 IBADRO Nc1ncn(C(=O)c2cnc(-c3cnccn3)nc2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218788547 1073363717 /nfs/dbraw/zinc/36/37/17/1073363717.db2.gz ODGMAEBIQCUTLC-FZMZJTMJSA-N 1 0 441.883 -0.075 20 0 IBADRO Nc1ncn(C(=O)c2cnc(-c3cnccn3)nc2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218788548 1073363570 /nfs/dbraw/zinc/36/35/70/1073363570.db2.gz ODGMAEBIQCUTLC-RISCZKNCSA-N 1 0 441.883 -0.075 20 0 IBADRO Nc1ncn(C(=O)c2cnc(-c3cnccn3)nc2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218788549 1073363607 /nfs/dbraw/zinc/36/36/07/1073363607.db2.gz ODGMAEBIQCUTLC-SMDDNHRTSA-N 1 0 441.883 -0.075 20 0 IBADRO Nc1ncn(C(=O)c2cnc(=O)n(C3CCC3)c2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218788907 1073363632 /nfs/dbraw/zinc/36/36/32/1073363632.db2.gz PLNLBIMLXLBFTI-BXUZGUMPSA-N 1 0 433.900 -0.040 20 0 IBADRO Nc1ncn(C(=O)c2cnc(=O)n(C3CCC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218788908 1073363681 /nfs/dbraw/zinc/36/36/81/1073363681.db2.gz PLNLBIMLXLBFTI-FZMZJTMJSA-N 1 0 433.900 -0.040 20 0 IBADRO Nc1ncn(C(=O)c2cnc(=O)n(C3CCC3)c2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218788909 1073363895 /nfs/dbraw/zinc/36/38/95/1073363895.db2.gz PLNLBIMLXLBFTI-RISCZKNCSA-N 1 0 433.900 -0.040 20 0 IBADRO Nc1ncn(C(=O)c2cnc(=O)n(C3CCC3)c2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218788910 1073363884 /nfs/dbraw/zinc/36/38/84/1073363884.db2.gz PLNLBIMLXLBFTI-SMDDNHRTSA-N 1 0 433.900 -0.040 20 0 IBADRO Nc1ncn(C(=O)c2cn(-c3ncccn3)cn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218789131 1073363981 /nfs/dbraw/zinc/36/39/81/1073363981.db2.gz QWHKDWIBCMMNGG-AAEUAGOBSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cn(-c3ncccn3)cn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218789132 1073363853 /nfs/dbraw/zinc/36/38/53/1073363853.db2.gz QWHKDWIBCMMNGG-DGCLKSJQSA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cn(-c3ncccn3)cn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218789133 1073364036 /nfs/dbraw/zinc/36/40/36/1073364036.db2.gz QWHKDWIBCMMNGG-WCQYABFASA-N 1 0 429.872 -0.346 20 0 IBADRO Nc1ncn(C(=O)c2cn(-c3ncccn3)cn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218789135 1073363917 /nfs/dbraw/zinc/36/39/17/1073363917.db2.gz QWHKDWIBCMMNGG-YPMHNXCESA-N 1 0 429.872 -0.346 20 0 IBADRO COCCOc1ccnc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)n1 ZINC001218789197 1073363959 /nfs/dbraw/zinc/36/39/59/1073363959.db2.gz RSIYZIJLHNAAEB-NEPJUHHUSA-N 1 0 437.888 -0.507 20 0 IBADRO COCCOc1ccnc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)n1 ZINC001218789199 1073364000 /nfs/dbraw/zinc/36/40/00/1073364000.db2.gz RSIYZIJLHNAAEB-NWDGAFQWSA-N 1 0 437.888 -0.507 20 0 IBADRO COCCOc1ccnc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)n1 ZINC001218789201 1073363876 /nfs/dbraw/zinc/36/38/76/1073363876.db2.gz RSIYZIJLHNAAEB-RYUDHWBXSA-N 1 0 437.888 -0.507 20 0 IBADRO COCCOc1ccnc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)n1 ZINC001218789202 1073363990 /nfs/dbraw/zinc/36/39/90/1073363990.db2.gz RSIYZIJLHNAAEB-VXGBXAGGSA-N 1 0 437.888 -0.507 20 0 IBADRO Nc1ncn(C(=O)c2ncccc2N2CCOCC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218789380 1073364022 /nfs/dbraw/zinc/36/40/22/1073364022.db2.gz SHENOCDDBHAEBM-DZGCQCFKSA-N 1 0 447.927 -0.090 20 0 IBADRO Nc1ncn(C(=O)c2ncccc2N2CCOCC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218789382 1073364044 /nfs/dbraw/zinc/36/40/44/1073364044.db2.gz SHENOCDDBHAEBM-HIFRSBDPSA-N 1 0 447.927 -0.090 20 0 IBADRO Nc1ncn(C(=O)c2ncccc2N2CCOCC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218789385 1073363935 /nfs/dbraw/zinc/36/39/35/1073363935.db2.gz SHENOCDDBHAEBM-UKRRQHHQSA-N 1 0 447.927 -0.090 20 0 IBADRO Nc1ncn(C(=O)c2ncccc2N2CCOCC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218789387 1073363864 /nfs/dbraw/zinc/36/38/64/1073363864.db2.gz SHENOCDDBHAEBM-ZFWWWQNUSA-N 1 0 447.927 -0.090 20 0 IBADRO COCCOc1ncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)cn1 ZINC001218790362 1073363947 /nfs/dbraw/zinc/36/39/47/1073363947.db2.gz YSZIQSKIOPWPEU-AAEUAGOBSA-N 1 0 437.888 -0.507 20 0 IBADRO COCCOc1ncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)cn1 ZINC001218790364 1073363970 /nfs/dbraw/zinc/36/39/70/1073363970.db2.gz YSZIQSKIOPWPEU-DGCLKSJQSA-N 1 0 437.888 -0.507 20 0 IBADRO COCCOc1ncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)cn1 ZINC001218790365 1073363907 /nfs/dbraw/zinc/36/39/07/1073363907.db2.gz YSZIQSKIOPWPEU-WCQYABFASA-N 1 0 437.888 -0.507 20 0 IBADRO COCCOc1ncc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)cn1 ZINC001218790367 1073364010 /nfs/dbraw/zinc/36/40/10/1073364010.db2.gz YSZIQSKIOPWPEU-YPMHNXCESA-N 1 0 437.888 -0.507 20 0 IBADRO COCCn1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@H]2O)c1=O ZINC001218790504 1073363927 /nfs/dbraw/zinc/36/39/27/1073363927.db2.gz ZEGNVZNQNBQOCD-GXTWGEPZSA-N 1 0 436.900 -0.514 20 0 IBADRO COCCn1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1=O ZINC001218790505 1073364056 /nfs/dbraw/zinc/36/40/56/1073364056.db2.gz ZEGNVZNQNBQOCD-JSGCOSHPSA-N 1 0 436.900 -0.514 20 0 IBADRO COCCn1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@@H]2O)c1=O ZINC001218790506 1073364325 /nfs/dbraw/zinc/36/43/25/1073364325.db2.gz ZEGNVZNQNBQOCD-OCCSQVGLSA-N 1 0 436.900 -0.514 20 0 IBADRO COCCn1cccc(C(=O)n2cnc(N)c(Cl)c2=NC[C@H]2CC[NH2+]C[C@H]2O)c1=O ZINC001218790507 1073364314 /nfs/dbraw/zinc/36/43/14/1073364314.db2.gz ZEGNVZNQNBQOCD-TZMCWYRMSA-N 1 0 436.900 -0.514 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ncccc1CCO)C(=O)CF ZINC001218792871 1073364193 /nfs/dbraw/zinc/36/41/93/1073364193.db2.gz QZBFXOLCXJSBJT-JDFRZJQESA-N 1 0 439.488 -0.544 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnn2c1OCCC2)C(=O)CF ZINC001218794170 1073364362 /nfs/dbraw/zinc/36/43/62/1073364362.db2.gz NJFHZBJANAUIHZ-MKBNYLNASA-N 1 0 440.476 -0.494 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1n[nH]c(CC(=O)c2ccccc2)n1 ZINC001218795815 1073364172 /nfs/dbraw/zinc/36/41/72/1073364172.db2.gz NHYPCLAOCFFFEU-JSGCOSHPSA-N 1 0 427.465 -0.377 20 0 IBADRO C[S@@](=O)c1nc(Cl)c(Br)c(NC(=O)CN(CC[NH3+])S(C)(=O)=O)n1 ZINC001218800543 1073364211 /nfs/dbraw/zinc/36/42/11/1073364211.db2.gz FOUFILDAYKWCRR-JOCHJYFZSA-N 1 0 448.752 -0.211 20 0 IBADRO C[S@](=O)c1nc(Cl)c(Br)c(NC(=O)CN(CC[NH3+])S(C)(=O)=O)n1 ZINC001218800544 1073364283 /nfs/dbraw/zinc/36/42/83/1073364283.db2.gz FOUFILDAYKWCRR-QFIPXVFZSA-N 1 0 448.752 -0.211 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1nc([S@](C)=O)nc(Cl)c1Br ZINC001218801747 1073364245 /nfs/dbraw/zinc/36/42/45/1073364245.db2.gz JKCNISXXIAGWDD-AHUZWJDFSA-N 1 0 428.696 -0.607 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1nc([S@@](C)=O)nc(Cl)c1Br ZINC001218801754 1073364221 /nfs/dbraw/zinc/36/42/21/1073364221.db2.gz JKCNISXXIAGWDD-YPTRSDPRSA-N 1 0 428.696 -0.607 20 0 IBADRO COC(=O)/C=C/c1ccc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)nc1 ZINC001218804220 1073364389 /nfs/dbraw/zinc/36/43/89/1073364389.db2.gz ZRZXMYMGAAIZJL-ZTXDWSKGSA-N 1 0 428.445 -0.041 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(C2(C(F)(F)F)CC2)cc1 ZINC001218814313 1073364338 /nfs/dbraw/zinc/36/43/38/1073364338.db2.gz AZBXROJBZVVUOR-UHFFFAOYSA-N 1 0 429.399 -0.474 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc(CCc2ccccn2)c1 ZINC001218816039 1073364439 /nfs/dbraw/zinc/36/44/39/1073364439.db2.gz WBICCYZAXUQUQJ-UHFFFAOYSA-N 1 0 426.477 -0.887 20 0 IBADRO Cc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc(C)c1Br ZINC001218816140 1073364264 /nfs/dbraw/zinc/36/42/64/1073364264.db2.gz OHYCNQOLRBFAEH-UHFFFAOYSA-N 1 0 428.287 -0.688 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc(OC(F)(F)C(F)F)c1 ZINC001218817182 1073364293 /nfs/dbraw/zinc/36/42/93/1073364293.db2.gz ORSUGPISQYGNFK-UHFFFAOYSA-N 1 0 437.350 -0.831 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001218822324 1073364150 /nfs/dbraw/zinc/36/41/50/1073364150.db2.gz BSJRTXNSHIHANH-FOCJUVANSA-N 1 0 428.511 -0.753 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001218822326 1073364415 /nfs/dbraw/zinc/36/44/15/1073364415.db2.gz BSJRTXNSHIHANH-QCQGSNGOSA-N 1 0 428.511 -0.753 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001218822329 1073364610 /nfs/dbraw/zinc/36/46/10/1073364610.db2.gz BSJRTXNSHIHANH-ZWUHOBOKSA-N 1 0 428.511 -0.753 20 0 IBADRO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC001218823795 1073364603 /nfs/dbraw/zinc/36/46/03/1073364603.db2.gz VHUBJZMJZBRBPA-KBPBESRZSA-N 1 0 448.567 -0.357 20 0 IBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC001218823796 1073364702 /nfs/dbraw/zinc/36/47/02/1073364702.db2.gz VHUBJZMJZBRBPA-OKILXGFUSA-N 1 0 448.567 -0.357 20 0 IBADRO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC001218823797 1073364639 /nfs/dbraw/zinc/36/46/39/1073364639.db2.gz VHUBJZMJZBRBPA-ZIAGYGMSSA-N 1 0 448.567 -0.357 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(Br)cc1C(N)=O ZINC001218844934 1073364832 /nfs/dbraw/zinc/36/48/32/1073364832.db2.gz WCLJIAKJZYGTMN-ZANVPECISA-N 1 0 440.298 -0.059 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C(C)(C)C)S(=O)(=O)c1cccc(N)c1)C(N)=O ZINC001218848947 1073364756 /nfs/dbraw/zinc/36/47/56/1073364756.db2.gz UJDFWMAOKTZBKR-SMDDNHRTSA-N 1 0 427.527 -0.318 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccccc1-c1ccc(F)c(F)c1 ZINC001218849208 1073364646 /nfs/dbraw/zinc/36/46/46/1073364646.db2.gz DGULKYDRKKWMIA-UHFFFAOYSA-N 1 0 433.415 -0.122 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001218850725 1073364716 /nfs/dbraw/zinc/36/47/16/1073364716.db2.gz PYYYJKLITQBBKJ-YOEHRIQHSA-N 1 0 431.493 -0.448 20 0 IBADRO CCS(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])c1 ZINC001218852904 1073364852 /nfs/dbraw/zinc/36/48/52/1073364852.db2.gz FCTYFPBNQXXYEI-WFASDCNBSA-N 1 0 440.522 -0.118 20 0 IBADRO COc1ccccc1Oc1ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001218856506 1073364623 /nfs/dbraw/zinc/36/46/23/1073364623.db2.gz IJDOICXGIBQOGS-UHFFFAOYSA-N 1 0 443.460 -0.267 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC001218857161 1073364552 /nfs/dbraw/zinc/36/45/52/1073364552.db2.gz NXLFSPRVIOEFBK-KSSFIOAISA-N 1 0 434.518 -0.030 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001218859657 1073364819 /nfs/dbraw/zinc/36/48/19/1073364819.db2.gz DFGIROCJRFGXBN-UHFFFAOYSA-N 1 0 433.465 -0.636 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 ZINC001218863751 1073364801 /nfs/dbraw/zinc/36/48/01/1073364801.db2.gz FZDOCFDTKIXFLI-ZBEGNZNMSA-N 1 0 433.490 -0.253 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(c1ccccn1)S(=O)(=O)c1ccc(N)cc1)C(N)=O ZINC001218865008 1073364779 /nfs/dbraw/zinc/36/47/79/1073364779.db2.gz NFRKZLRUGJXUJU-SWLSCSKDSA-N 1 0 448.505 -0.517 20 0 IBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N(c1ccccn1)S(=O)(=O)c1ccc(N)cc1 ZINC001218865027 1073364544 /nfs/dbraw/zinc/36/45/44/1073364544.db2.gz NURIEGWHCSQPOQ-UHFFFAOYSA-N 1 0 427.508 -0.394 20 0 IBADRO COC(=O)c1cc(Br)c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])cc1OC ZINC001218865692 1073364734 /nfs/dbraw/zinc/36/47/34/1073364734.db2.gz KQGBUTPOOXXURI-CPCISQLKSA-N 1 0 445.270 -0.110 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC001218867742 1073364571 /nfs/dbraw/zinc/36/45/71/1073364571.db2.gz PNSGTKYSTBPOIV-YJBOKZPZSA-N 1 0 440.504 -0.193 20 0 IBADRO 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NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC001218877930 1073366887 /nfs/dbraw/zinc/36/68/87/1073366887.db2.gz VVMODDLJSADZSY-ZCFIWIBFSA-N 1 0 432.858 -0.182 20 0 IBADRO CN(CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@@H]1CCC[NH2+]C1 ZINC001218877957 1073366787 /nfs/dbraw/zinc/36/67/87/1073366787.db2.gz WZDAZFYETZCVHL-SECBINFHSA-N 1 0 439.947 -0.743 20 0 IBADRO CN(CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@H]1CCC[NH2+]C1 ZINC001218877958 1073366903 /nfs/dbraw/zinc/36/69/03/1073366903.db2.gz WZDAZFYETZCVHL-VIFPVBQESA-N 1 0 439.947 -0.743 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2n[nH]c3c2CC[NH2+]C3)cc1Cl ZINC001218877959 1073366748 /nfs/dbraw/zinc/36/67/48/1073366748.db2.gz WZGWNGZJQBFRLG-UHFFFAOYSA-N 1 0 434.887 -0.744 20 0 IBADRO C[NH2+][C@@H]1CCCN(CC(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218877986 1073366815 /nfs/dbraw/zinc/36/68/15/1073366815.db2.gz XXGZSMGJZILJAR-SECBINFHSA-N 1 0 439.947 -0.743 20 0 IBADRO C[NH2+][C@H]1CCCN(CC(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218877988 1073366921 /nfs/dbraw/zinc/36/69/21/1073366921.db2.gz XXGZSMGJZILJAR-VIFPVBQESA-N 1 0 439.947 -0.743 20 0 IBADRO CO[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218878109 1073366892 /nfs/dbraw/zinc/36/68/92/1073366892.db2.gz ZLZNJQIYEDYJJT-GMSGAONNSA-N 1 0 426.904 -0.660 20 0 IBADRO CO[C@H]1CC[NH2+][C@@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218878110 1073366770 /nfs/dbraw/zinc/36/67/70/1073366770.db2.gz ZLZNJQIYEDYJJT-OIBJUYFYSA-N 1 0 426.904 -0.660 20 0 IBADRO CO[C@@H]1CC[NH2+][C@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218878111 1073366843 /nfs/dbraw/zinc/36/68/43/1073366843.db2.gz ZLZNJQIYEDYJJT-XCBNKYQSSA-N 1 0 426.904 -0.660 20 0 IBADRO CO[C@H]1CC[NH2+][C@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218878112 1073366827 /nfs/dbraw/zinc/36/68/27/1073366827.db2.gz ZLZNJQIYEDYJJT-XVKPBYJWSA-N 1 0 426.904 -0.660 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878126 1073366684 /nfs/dbraw/zinc/36/66/84/1073366684.db2.gz ZZNYUCGCTGETPF-QMMMGPOBSA-N 1 0 428.920 -0.284 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C[C@@H]([NH3+])Cc2ccncc2)cc1Cl ZINC001218878293 1073367011 /nfs/dbraw/zinc/36/70/11/1073367011.db2.gz BPDMEISDHCJDBN-JTQLQIEISA-N 1 0 447.926 -0.072 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CCSC23C[NH2+]C3)cc1Cl ZINC001218878310 1073367076 /nfs/dbraw/zinc/36/70/76/1073367076.db2.gz BVVFYTVHEOQUKK-SSDOTTSWSA-N 1 0 440.956 -0.332 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CCSC23C[NH2+]C3)cc1Cl ZINC001218878314 1073367129 /nfs/dbraw/zinc/36/71/29/1073367129.db2.gz BVVFYTVHEOQUKK-ZETCQYMHSA-N 1 0 440.956 -0.332 20 0 IBADRO COc1ccc(N(C(=O)[C@@H]2C[NH2+]C[C@@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218878330 1073367272 /nfs/dbraw/zinc/36/72/72/1073367272.db2.gz MVNADJJGBNRONX-CABCVRRESA-N 1 0 435.462 -0.060 20 0 IBADRO COc1ccc(N(C(=O)[C@H]2C[NH2+]C[C@@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218878334 1073367064 /nfs/dbraw/zinc/36/70/64/1073367064.db2.gz MVNADJJGBNRONX-GJZGRUSLSA-N 1 0 435.462 -0.060 20 0 IBADRO COc1ccc(N(C(=O)[C@@H]2C[NH2+]C[C@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218878338 1073367279 /nfs/dbraw/zinc/36/72/79/1073367279.db2.gz MVNADJJGBNRONX-HUUCEWRRSA-N 1 0 435.462 -0.060 20 0 IBADRO COc1ccc(N(C(=O)[C@H]2C[NH2+]C[C@H]2OC(C)=O)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218878341 1073367087 /nfs/dbraw/zinc/36/70/87/1073367087.db2.gz MVNADJJGBNRONX-LSDHHAIUSA-N 1 0 435.462 -0.060 20 0 IBADRO COc1nccn(C(=O)[C@@H]([NH3+])Cc2cncn2C)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218878377 1073367201 /nfs/dbraw/zinc/36/72/01/1073367201.db2.gz UCHCCDYXIAOOPQ-HNNXBMFYSA-N 1 0 431.478 -0.293 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[C@H]3C[NH2+]CC[C@@H]3O2)cc1Cl ZINC001218878454 1073367053 /nfs/dbraw/zinc/36/70/53/1073367053.db2.gz DTMVMVOYAMVRQE-BKDNQFJXSA-N 1 0 438.915 -0.660 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])c2ccc(O)cc2)cc1Cl ZINC001218878608 1073367152 /nfs/dbraw/zinc/36/71/52/1073367152.db2.gz FUEOESWIFOGLHS-ZDUSSCGKSA-N 1 0 434.883 -0.021 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]([NH3+])Cc2cccc(O)c2)cc1Cl ZINC001218878618 1073367183 /nfs/dbraw/zinc/36/71/83/1073367183.db2.gz GEHMGRPDCXRUTD-LLVKDONJSA-N 1 0 448.910 -0.151 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])Cc2cccc(O)c2)cc1Cl ZINC001218878619 1073367030 /nfs/dbraw/zinc/36/70/30/1073367030.db2.gz GEHMGRPDCXRUTD-NSHDSACASA-N 1 0 448.910 -0.151 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C[C@]2(O)CCC[NH2+]C2)cc1Cl ZINC001218878691 1073367264 /nfs/dbraw/zinc/36/72/64/1073367264.db2.gz IFNZVRCJNLKSGN-CYBMUJFWSA-N 1 0 426.904 -0.922 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C[C@@]2(O)CCC[NH2+]C2)cc1Cl ZINC001218878692 1073367020 /nfs/dbraw/zinc/36/70/20/1073367020.db2.gz IFNZVRCJNLKSGN-ZDUSSCGKSA-N 1 0 426.904 -0.922 20 0 IBADRO CCOC(=O)C1(C(=O)N(c2ccc(OC)nn2)S(=O)(=O)c2ccc(N)cc2)C[NH2+]C1 ZINC001218878807 1073367230 /nfs/dbraw/zinc/36/72/30/1073367230.db2.gz QGEVGILTFXPNCU-UHFFFAOYSA-N 1 0 435.462 -0.058 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)COC2CC[NH2+]CC2)cc1Cl ZINC001218878903 1073367172 /nfs/dbraw/zinc/36/71/72/1073367172.db2.gz JHDZYXVTZDTZNN-UHFFFAOYSA-N 1 0 426.904 -0.658 20 0 IBADRO COc1ccc(N(C(=O)[C@@H](N)CSCC[NH3+])S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218878951 1073367111 /nfs/dbraw/zinc/36/71/11/1073367111.db2.gz SFBILCRFYVMOEY-ZDUSSCGKSA-N 1 0 426.524 -0.192 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)cc1Cl ZINC001218879096 1073367248 /nfs/dbraw/zinc/36/72/48/1073367248.db2.gz NCNLVAJBWXPCQG-MRVPVSSYSA-N 1 0 448.914 -0.811 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH2+]Cc3ccnn3C2)cc1Cl ZINC001218879097 1073367568 /nfs/dbraw/zinc/36/75/68/1073367568.db2.gz NCNLVAJBWXPCQG-QMMMGPOBSA-N 1 0 448.914 -0.811 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C[C@H]2C[C@H]3C[NH2+]C[C@H]3O2)cc1Cl ZINC001218879365 1073367517 /nfs/dbraw/zinc/36/75/17/1073367517.db2.gz SRKCVWZUFUEMIM-VAOFZXAKSA-N 1 0 438.915 -0.660 20 0 IBADRO COc1ccc(N(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218879485 1073367594 /nfs/dbraw/zinc/36/75/94/1073367594.db2.gz YAQKNXWVWOAYHI-AWEZNQCLSA-N 1 0 434.478 -0.261 20 0 IBADRO COc1ccc(N(C(=O)COCCOCC[NH3+])S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218879491 1073367587 /nfs/dbraw/zinc/36/75/87/1073367587.db2.gz YORSXKBUBMCEOI-UHFFFAOYSA-N 1 0 425.467 -0.219 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])Cc2cscn2)cc1Cl ZINC001218879548 1073367547 /nfs/dbraw/zinc/36/75/47/1073367547.db2.gz UKTJKQQMRYCCHS-QMMMGPOBSA-N 1 0 439.928 -0.400 20 0 IBADRO COc1ccc(N(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218879560 1073367453 /nfs/dbraw/zinc/36/74/53/1073367453.db2.gz ZVOIOOMDDCWOMW-INIZCTEOSA-N 1 0 449.537 -0.460 20 0 IBADRO COc1ccc(N(C(=O)[C@H](N)CN2CCC([NH3+])CC2)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218879566 1073367501 /nfs/dbraw/zinc/36/75/01/1073367501.db2.gz ZVOIOOMDDCWOMW-MRXNPFEDSA-N 1 0 449.537 -0.460 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)cc1Cl ZINC001218879608 1073367401 /nfs/dbraw/zinc/36/74/01/1073367401.db2.gz WLGDFLYLXJJZED-FBIMIBRVSA-N 1 0 438.915 -0.517 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)cc1Cl ZINC001218879628 1073367624 /nfs/dbraw/zinc/36/76/24/1073367624.db2.gz WQMMQZRVZABZBB-BKDNQFJXSA-N 1 0 438.915 -0.660 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C2=NO[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001218879758 1073367511 /nfs/dbraw/zinc/36/75/11/1073367511.db2.gz YCEALEPBHAHIGL-CYBMUJFWSA-N 1 0 437.887 -0.918 20 0 IBADRO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC001218879759 1073367465 /nfs/dbraw/zinc/36/74/65/1073367465.db2.gz YCEALEPBHAHIGL-ZDUSSCGKSA-N 1 0 437.887 -0.918 20 0 IBADRO Cn1c2ncn(CC(=O)Nc3ccccc3C(=O)N3CC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC001218880945 1073367478 /nfs/dbraw/zinc/36/74/78/1073367478.db2.gz KKBSATPULVBVAN-UHFFFAOYSA-N 1 0 425.449 -0.882 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)nnn2C)C(=O)CF ZINC001218881580 1073368060 /nfs/dbraw/zinc/36/80/60/1073368060.db2.gz XCBCCSWDBWGYJJ-MIUNTBIASA-N 1 0 449.487 -0.192 20 0 IBADRO CC(C)c1nccn1Cc1cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001218883592 1073367884 /nfs/dbraw/zinc/36/78/84/1073367884.db2.gz NPERLNVFOAIXGV-UHFFFAOYSA-N 1 0 443.508 -0.699 20 0 IBADRO Nc1ccc(S(=O)(=O)N(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)c2ccc(Cl)nn2)cc1 ZINC001218884169 1073367864 /nfs/dbraw/zinc/36/78/64/1073367864.db2.gz FFOHKAXGCDZSNU-CYBMUJFWSA-N 1 0 438.897 -0.236 20 0 IBADRO Nc1ccc(S(=O)(=O)N(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c2ccc(Cl)nn2)cc1 ZINC001218884170 1073367845 /nfs/dbraw/zinc/36/78/45/1073367845.db2.gz FFOHKAXGCDZSNU-ZDUSSCGKSA-N 1 0 438.897 -0.236 20 0 IBADRO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c1 ZINC001218884780 1073367929 /nfs/dbraw/zinc/36/79/29/1073367929.db2.gz NEGCRIIWZMCACB-FZMZJTMJSA-N 1 0 443.526 -0.628 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(c1ccc(Cl)nn1)S(=O)(=O)c1ccc(N)cc1 ZINC001218885364 1073367945 /nfs/dbraw/zinc/36/79/45/1073367945.db2.gz BZXQSGBLUKFZKM-CABZTGNLSA-N 1 0 442.885 -0.742 20 0 IBADRO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN(CC[NH3+])S(C)(=O)=O)c1 ZINC001218885582 1073368084 /nfs/dbraw/zinc/36/80/84/1073368084.db2.gz TXBSHMDYQKVXNX-UHFFFAOYSA-N 1 0 436.556 -0.116 20 0 IBADRO Nc1ccc(S(=O)(=O)N(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)c2ccc(Cl)nn2)cc1 ZINC001218885592 1073368081 /nfs/dbraw/zinc/36/80/81/1073368081.db2.gz UBBOLYOOIDGCPE-HNNXBMFYSA-N 1 0 436.881 -0.088 20 0 IBADRO Nc1ccc(S(=O)(=O)N(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)c2ccc(Cl)nn2)cc1 ZINC001218885595 1073368077 /nfs/dbraw/zinc/36/80/77/1073368077.db2.gz UBBOLYOOIDGCPE-OAHLLOKOSA-N 1 0 436.881 -0.088 20 0 IBADRO CS(=O)(=O)N(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1cccc(N)c1 ZINC001218887402 1073368087 /nfs/dbraw/zinc/36/80/87/1073368087.db2.gz HUFNJPNAOBUZEQ-IRXDYDNUSA-N 1 0 436.490 -0.686 20 0 IBADRO Cc1noc(N(C(=O)CN(CC[NH3+])S(C)(=O)=O)S(=O)(=O)c2ccc(N)cc2)c1C ZINC001218889088 1073368014 /nfs/dbraw/zinc/36/80/14/1073368014.db2.gz JUOUMXKXEVZODX-UHFFFAOYSA-N 1 0 445.523 -0.184 20 0 IBADRO Cc1noc(N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)S(=O)(=O)c2ccc(N)cc2)c1C ZINC001218889965 1073368045 /nfs/dbraw/zinc/36/80/45/1073368045.db2.gz OTQZHKUJUGAYGP-FZMZJTMJSA-N 1 0 425.467 -0.580 20 0 IBADRO CNS(=O)(=O)CCc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])cc1 ZINC001218890943 1073367834 /nfs/dbraw/zinc/36/78/34/1073367834.db2.gz LKULUFAEBWIVQQ-BBRMVZONSA-N 1 0 439.538 -0.829 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccccc1S(=O)(=O)N(C)C ZINC001218893850 1073367995 /nfs/dbraw/zinc/36/79/95/1073367995.db2.gz FUOMWYYKDLYHCI-JSGCOSHPSA-N 1 0 425.511 -0.670 20 0 IBADRO CC(C)NS(=O)(=O)c1ccccc1NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218894563 1073367817 /nfs/dbraw/zinc/36/78/17/1073367817.db2.gz QHDOUZVSWXKJCD-ZFWWWQNUSA-N 1 0 439.538 -0.234 20 0 IBADRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218914189 1073368419 /nfs/dbraw/zinc/36/84/19/1073368419.db2.gz SRXGGNYGCZEWBY-ZFWWWQNUSA-N 1 0 427.527 -0.012 20 0 IBADRO COc1cc(N(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218918917 1073368521 /nfs/dbraw/zinc/36/85/21/1073368521.db2.gz JDDXWZFOXGIMKD-BLVKFPJESA-N 1 0 448.505 -0.251 20 0 IBADRO COc1cc(N(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218918923 1073368541 /nfs/dbraw/zinc/36/85/41/1073368541.db2.gz JDDXWZFOXGIMKD-BUXKBTBVSA-N 1 0 448.505 -0.251 20 0 IBADRO COc1cc(N(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218918927 1073368551 /nfs/dbraw/zinc/36/85/51/1073368551.db2.gz JDDXWZFOXGIMKD-CWTRNNRKSA-N 1 0 448.505 -0.251 20 0 IBADRO COc1cc(N(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218918930 1073368408 /nfs/dbraw/zinc/36/84/08/1073368408.db2.gz JDDXWZFOXGIMKD-HXPMCKFVSA-N 1 0 448.505 -0.251 20 0 IBADRO COc1cc(N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218919013 1073368782 /nfs/dbraw/zinc/36/87/82/1073368782.db2.gz KJETZGIWSOYHOX-TUKIKUTGSA-N 1 0 448.505 -0.252 20 0 IBADRO COc1cc(N(C(=O)[C@@]23C[NH2+][C@@H](CO2)C3)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218919446 1073368908 /nfs/dbraw/zinc/36/89/08/1073368908.db2.gz QFOAHJNUVLNOFZ-KZULUSFZSA-N 1 0 435.462 -0.071 20 0 IBADRO COc1cc(N(C(=O)C2(N)CC[NH2+]CC2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920185 1073368921 /nfs/dbraw/zinc/36/89/21/1073368921.db2.gz GTZYPOHXDSNUDR-UHFFFAOYSA-N 1 0 436.494 -0.121 20 0 IBADRO COc1cc(N(C(=O)[C@@H]2C[NH2+]CCN2C)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920265 1073368872 /nfs/dbraw/zinc/36/88/72/1073368872.db2.gz IGYDKWALEXKIFQ-AWEZNQCLSA-N 1 0 436.494 -0.299 20 0 IBADRO COc1cc(N(C(=O)[C@H]2C[NH2+]CCN2C)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920266 1073368720 /nfs/dbraw/zinc/36/87/20/1073368720.db2.gz IGYDKWALEXKIFQ-CQSZACIVSA-N 1 0 436.494 -0.299 20 0 IBADRO COc1cc(N(C(=O)[C@@H]2C[NH2+]C[C@@H](O)C2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920438 1073368929 /nfs/dbraw/zinc/36/89/29/1073368929.db2.gz ZAKDRKDTWQCMAV-AAEUAGOBSA-N 1 0 437.478 -0.232 20 0 IBADRO COc1cc(N(C(=O)[C@H]2C[NH2+]C[C@H](O)C2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920446 1073368945 /nfs/dbraw/zinc/36/89/45/1073368945.db2.gz ZAKDRKDTWQCMAV-DGCLKSJQSA-N 1 0 437.478 -0.232 20 0 IBADRO COc1cc(N(C(=O)[C@@H]2C[NH2+]C[C@H](O)C2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920447 1073368852 /nfs/dbraw/zinc/36/88/52/1073368852.db2.gz ZAKDRKDTWQCMAV-WCQYABFASA-N 1 0 437.478 -0.232 20 0 IBADRO COc1cc(N(C(=O)[C@H]2C[NH2+]C[C@@H](O)C2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920449 1073368754 /nfs/dbraw/zinc/36/87/54/1073368754.db2.gz ZAKDRKDTWQCMAV-YPMHNXCESA-N 1 0 437.478 -0.232 20 0 IBADRO COc1cc(N(C(=O)[C@@H]2C[NH2+]CCC2=O)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920518 1073368886 /nfs/dbraw/zinc/36/88/86/1073368886.db2.gz MRBJIQVMMJQUIW-CYBMUJFWSA-N 1 0 435.462 -0.024 20 0 IBADRO COc1cc(N(C(=O)[C@H]2C[NH2+]CCC2=O)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920521 1073368764 /nfs/dbraw/zinc/36/87/64/1073368764.db2.gz MRBJIQVMMJQUIW-ZDUSSCGKSA-N 1 0 435.462 -0.024 20 0 IBADRO COc1cc(N(C(=O)C2(O)CC[NH2+]CC2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218921001 1073368913 /nfs/dbraw/zinc/36/89/13/1073368913.db2.gz PYLBJTATBULVHS-UHFFFAOYSA-N 1 0 437.478 -0.088 20 0 IBADRO COc1cc(N(C(=O)[C@@]2(N)CCC[NH2+]C2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218921526 1073369262 /nfs/dbraw/zinc/36/92/62/1073369262.db2.gz WAZGQZXMYCAYED-GOSISDBHSA-N 1 0 436.494 -0.121 20 0 IBADRO COc1cc(N(C(=O)[C@]2(N)CCC[NH2+]C2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218921527 1073369437 /nfs/dbraw/zinc/36/94/37/1073369437.db2.gz WAZGQZXMYCAYED-SFHVURJKSA-N 1 0 436.494 -0.121 20 0 IBADRO C[NH2+][C@H](C(=O)N(c1cc(OC)nc(OC)n1)S(=O)(=O)c1ccc(N)cc1)[C@@H](C)O ZINC001218921528 1073369389 /nfs/dbraw/zinc/36/93/89/1073369389.db2.gz WAZVQJISBIMBEY-BMIGLBTASA-N 1 0 425.467 -0.233 20 0 IBADRO COc1cc(N(C(=O)CN2CC[NH2+]CC2)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218921701 1073369251 /nfs/dbraw/zinc/36/92/51/1073369251.db2.gz ZBRKNGWCLKLWNL-UHFFFAOYSA-N 1 0 436.494 -0.297 20 0 IBADRO COC(=O)c1cc2c(ncn2C)c(F)c1NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218927825 1073369159 /nfs/dbraw/zinc/36/91/59/1073369159.db2.gz NMSCWFUQUBFCKV-JQWIXIFHSA-N 1 0 448.455 -0.108 20 0 IBADRO COC(=O)c1cccc(C(=O)OC)c1NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001218934477 1073369363 /nfs/dbraw/zinc/36/93/63/1073369363.db2.gz JNRWJMJHRKFKRN-FZMZJTMJSA-N 1 0 434.449 -0.347 20 0 IBADRO COC(=O)c1ccc(I)c(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1 ZINC001218940006 1073369318 /nfs/dbraw/zinc/36/93/18/1073369318.db2.gz UOPNIJNYWDEOLT-XVKPBYJWSA-N 1 0 435.218 -0.159 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 ZINC001218943758 1073369271 /nfs/dbraw/zinc/36/92/71/1073369271.db2.gz AEJIJXNHRXYGCQ-WWGRRREGSA-N 1 0 428.493 -0.060 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(C2=NNC(=O)C[C@@H]2C)cc1 ZINC001218943759 1073369133 /nfs/dbraw/zinc/36/91/33/1073369133.db2.gz AEJIJXNHRXYGCQ-XEZPLFJOSA-N 1 0 428.493 -0.060 20 0 IBADRO CC[C@@]1(c2ccc(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)cc2)CCC(=O)NC1=O ZINC001218949441 1073369339 /nfs/dbraw/zinc/36/93/39/1073369339.db2.gz IDRDQTNRMWTCCO-HUTJROTASA-N 1 0 431.493 -0.193 20 0 IBADRO CC[C@]1(c2ccc(NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)cc2)CCC(=O)NC1=O ZINC001218949442 1073369446 /nfs/dbraw/zinc/36/94/46/1073369446.db2.gz IDRDQTNRMWTCCO-QURLWZIUSA-N 1 0 431.493 -0.193 20 0 IBADRO CS(=O)(=O)N(CC[NH3+])CC(=O)N(c1nccs1)S(=O)(=O)c1ccc(N)cc1 ZINC001218951395 1073369431 /nfs/dbraw/zinc/36/94/31/1073369431.db2.gz WTLOEBBZQVGRQY-UHFFFAOYSA-N 1 0 433.537 -0.333 20 0 IBADRO COc1ccc(-c2ccccc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc1 ZINC001218953041 1073369211 /nfs/dbraw/zinc/36/92/11/1073369211.db2.gz GEHWSPFBBRYYQD-UHFFFAOYSA-N 1 0 427.461 -0.392 20 0 IBADRO CCCCOc1c(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])ccc(F)c1F ZINC001218959439 1073369231 /nfs/dbraw/zinc/36/92/31/1073369231.db2.gz MDRHWFWUKYENPW-UHFFFAOYSA-N 1 0 429.424 -0.611 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC001218961474 1073369824 /nfs/dbraw/zinc/36/98/24/1073369824.db2.gz CCMFKZKDUWRDTB-CDUCUWFYSA-N 1 0 426.282 -0.713 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl)C(N)=O ZINC001218961624 1073369667 /nfs/dbraw/zinc/36/96/67/1073369667.db2.gz GRZCUXRJBZQTRK-QUBYGPBYSA-N 1 0 440.309 -0.323 20 0 IBADRO COc1ncnc(N(C(=O)[C@@H]2C[NH2+]CCN2C)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962277 1073369710 /nfs/dbraw/zinc/36/97/10/1073369710.db2.gz HOLHIZSQBFHZEH-AWEZNQCLSA-N 1 0 436.494 -0.299 20 0 IBADRO COc1ncnc(N(C(=O)[C@H]2C[NH2+]CCN2C)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962278 1073369794 /nfs/dbraw/zinc/36/97/94/1073369794.db2.gz HOLHIZSQBFHZEH-CQSZACIVSA-N 1 0 436.494 -0.299 20 0 IBADRO COc1ncnc(N(C(=O)[C@@]23C[NH2+][C@@H](CO2)C3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962313 1073369784 /nfs/dbraw/zinc/36/97/84/1073369784.db2.gz INBLGBTXSGRZGC-KZULUSFZSA-N 1 0 435.462 -0.071 20 0 IBADRO COc1ncnc(N(C(=O)CN2CC[NH2+]CC2)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962316 1073369810 /nfs/dbraw/zinc/36/98/10/1073369810.db2.gz IUGKBRFPVLYKOQ-UHFFFAOYSA-N 1 0 436.494 -0.297 20 0 IBADRO COc1ncnc(N(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962609 1073369804 /nfs/dbraw/zinc/36/98/04/1073369804.db2.gz JOQLZUYHENMTTK-BLVKFPJESA-N 1 0 448.505 -0.251 20 0 IBADRO COc1ncnc(N(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962610 1073369751 /nfs/dbraw/zinc/36/97/51/1073369751.db2.gz JOQLZUYHENMTTK-BUXKBTBVSA-N 1 0 448.505 -0.251 20 0 IBADRO COc1ncnc(N(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962611 1073369647 /nfs/dbraw/zinc/36/96/47/1073369647.db2.gz JOQLZUYHENMTTK-CWTRNNRKSA-N 1 0 448.505 -0.251 20 0 IBADRO COc1ncnc(N(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962613 1073369791 /nfs/dbraw/zinc/36/97/91/1073369791.db2.gz JOQLZUYHENMTTK-HXPMCKFVSA-N 1 0 448.505 -0.251 20 0 IBADRO COc1ncnc(N(C(=O)[C@@H]2C[NH2+]CCC2=O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962680 1073369765 /nfs/dbraw/zinc/36/97/65/1073369765.db2.gz LCZBIDGNRLFAGH-CYBMUJFWSA-N 1 0 435.462 -0.024 20 0 IBADRO COc1ncnc(N(C(=O)[C@H]2C[NH2+]CCC2=O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962682 1073369740 /nfs/dbraw/zinc/36/97/40/1073369740.db2.gz LCZBIDGNRLFAGH-ZDUSSCGKSA-N 1 0 435.462 -0.024 20 0 IBADRO C[NH2+][C@H](C(=O)N(c1ncnc(OC)c1OC)S(=O)(=O)c1ccc(N)cc1)[C@@H](C)O ZINC001218963165 1073369814 /nfs/dbraw/zinc/36/98/14/1073369814.db2.gz OMUPTACWPNNLER-MFKMUULPSA-N 1 0 425.467 -0.233 20 0 IBADRO COc1ncnc(N(C(=O)[C@@H]2C[NH2+]C[C@@H](O)C2)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218963669 1073369778 /nfs/dbraw/zinc/36/97/78/1073369778.db2.gz UKCWBSJIQSHFER-AAEUAGOBSA-N 1 0 437.478 -0.232 20 0 IBADRO COc1ncnc(N(C(=O)[C@H]2C[NH2+]C[C@H](O)C2)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218963671 1073370191 /nfs/dbraw/zinc/37/01/91/1073370191.db2.gz UKCWBSJIQSHFER-DGCLKSJQSA-N 1 0 437.478 -0.232 20 0 IBADRO COc1ncnc(N(C(=O)[C@@H]2C[NH2+]C[C@H](O)C2)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218963673 1073370039 /nfs/dbraw/zinc/37/00/39/1073370039.db2.gz UKCWBSJIQSHFER-WCQYABFASA-N 1 0 437.478 -0.232 20 0 IBADRO COc1ncnc(N(C(=O)[C@H]2C[NH2+]C[C@@H](O)C2)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218963674 1073370178 /nfs/dbraw/zinc/37/01/78/1073370178.db2.gz UKCWBSJIQSHFER-YPMHNXCESA-N 1 0 437.478 -0.232 20 0 IBADRO COc1ncnc(N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218964022 1073370197 /nfs/dbraw/zinc/37/01/97/1073370197.db2.gz WPMQTGCZFJNTGW-TUKIKUTGSA-N 1 0 448.505 -0.252 20 0 IBADRO COc1ncnc(N(C(=O)[C@H]2C[NH2+]CC[C@@H]2O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218964288 1073370120 /nfs/dbraw/zinc/37/01/20/1073370120.db2.gz YMRGFJYHRJKXFS-KBPBESRZSA-N 1 0 437.478 -0.232 20 0 IBADRO COc1ncnc(N(C(=O)[C@@H]2C[NH2+]CC[C@@H]2O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218964289 1073370155 /nfs/dbraw/zinc/37/01/55/1073370155.db2.gz YMRGFJYHRJKXFS-KGLIPLIRSA-N 1 0 437.478 -0.232 20 0 IBADRO COc1ncnc(N(C(=O)[C@H]2C[NH2+]CC[C@H]2O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218964290 1073370202 /nfs/dbraw/zinc/37/02/02/1073370202.db2.gz YMRGFJYHRJKXFS-UONOGXRCSA-N 1 0 437.478 -0.232 20 0 IBADRO COc1ncnc(N(C(=O)[C@@H]2C[NH2+]CC[C@H]2O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218964291 1073370078 /nfs/dbraw/zinc/37/00/78/1073370078.db2.gz YMRGFJYHRJKXFS-ZIAGYGMSSA-N 1 0 437.478 -0.232 20 0 IBADRO COc1ncnc(N(C(=O)[C@@]2(N)CCC[NH2+]C2)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218964313 1073370046 /nfs/dbraw/zinc/37/00/46/1073370046.db2.gz ZBYKCKXJSHFVGR-GOSISDBHSA-N 1 0 436.494 -0.121 20 0 IBADRO COc1ncnc(N(C(=O)[C@]2(N)CCC[NH2+]C2)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218964314 1073370186 /nfs/dbraw/zinc/37/01/86/1073370186.db2.gz ZBYKCKXJSHFVGR-SFHVURJKSA-N 1 0 436.494 -0.121 20 0 IBADRO COc1cc2c(cc1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])oc1ccccc12 ZINC001218964579 1073370141 /nfs/dbraw/zinc/37/01/41/1073370141.db2.gz WHUWRIRYNGWUKL-UHFFFAOYSA-N 1 0 441.444 -0.160 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc2nc(C(F)(F)F)ccc2c1 ZINC001218966179 1073370087 /nfs/dbraw/zinc/37/00/87/1073370087.db2.gz QZILDBPIOGWBCU-UHFFFAOYSA-N 1 0 440.382 -0.501 20 0 IBADRO CCc1cc(Br)cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1 ZINC001218979093 1073369991 /nfs/dbraw/zinc/36/99/91/1073369991.db2.gz HQRPRXZREBHFKX-UHFFFAOYSA-N 1 0 428.287 -0.743 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC001218982052 1073370059 /nfs/dbraw/zinc/37/00/59/1073370059.db2.gz STYVRDTWZKESOX-WFASDCNBSA-N 1 0 425.511 -0.742 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1)C(N)=O ZINC001218982061 1073370207 /nfs/dbraw/zinc/37/02/07/1073370207.db2.gz SXMLBWQRZPSKRA-XJKSGUPXSA-N 1 0 439.538 -0.352 20 0 IBADRO CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)cc1 ZINC001218986425 1073370009 /nfs/dbraw/zinc/37/00/09/1073370009.db2.gz DZZOSOQIKLIAMD-GOSISDBHSA-N 1 0 449.577 -0.388 20 0 IBADRO CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)cc1 ZINC001218986426 1073370100 /nfs/dbraw/zinc/37/01/00/1073370100.db2.gz DZZOSOQIKLIAMD-SFHVURJKSA-N 1 0 449.577 -0.388 20 0 IBADRO CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)cc1 ZINC001218986625 1073369967 /nfs/dbraw/zinc/36/99/67/1073369967.db2.gz MAASDEMFMFPFEO-IBGZPJMESA-N 1 0 442.564 -0.049 20 0 IBADRO CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)cc1 ZINC001218986626 1073370163 /nfs/dbraw/zinc/37/01/63/1073370163.db2.gz MAASDEMFMFPFEO-LJQANCHMSA-N 1 0 442.564 -0.049 20 0 IBADRO 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COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001219170713 1073371073 /nfs/dbraw/zinc/37/10/73/1073371073.db2.gz WWAZTDKXYWBIIE-SWLSCSKDSA-N 1 0 435.481 -0.654 20 0 IBADRO CC(C)Oc1cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc(C(F)(F)F)c1 ZINC001219172841 1073371024 /nfs/dbraw/zinc/37/10/24/1073371024.db2.gz UAXJWICWSXPOKL-UHFFFAOYSA-N 1 0 447.414 -0.262 20 0 IBADRO COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001219180177 1073371160 /nfs/dbraw/zinc/37/11/60/1073371160.db2.gz PGYTUERWWLWKNJ-LRDDRELGSA-N 1 0 434.497 -0.990 20 0 IBADRO COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001219180257 1073371138 /nfs/dbraw/zinc/37/11/38/1073371138.db2.gz SRAOLYZGZPIDKC-UHFFFAOYSA-N 1 0 427.527 -0.478 20 0 IBADRO COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001219180587 1073370876 /nfs/dbraw/zinc/37/08/76/1073370876.db2.gz ZRWNGINUEPLLFG-SUMWQHHRSA-N 1 0 448.524 -0.600 20 0 IBADRO 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CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219541233 1073372834 /nfs/dbraw/zinc/37/28/34/1073372834.db2.gz LFGBQOILFUUAAB-KRONUBCYSA-N 1 0 431.493 -0.393 20 0 IBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219541239 1073373020 /nfs/dbraw/zinc/37/30/20/1073373020.db2.gz LFGBQOILFUUAAB-RIQGKHGASA-N 1 0 431.493 -0.393 20 0 IBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219541241 1073372919 /nfs/dbraw/zinc/37/29/19/1073372919.db2.gz LFGBQOILFUUAAB-WIRXBISLSA-N 1 0 431.493 -0.393 20 0 IBADRO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219541243 1073372672 /nfs/dbraw/zinc/37/26/72/1073372672.db2.gz LFGBQOILFUUAAB-ZBRGCBALSA-N 1 0 431.493 -0.393 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001219547879 1073372849 /nfs/dbraw/zinc/37/28/49/1073372849.db2.gz BYFKMSZSDZBVCS-UHFFFAOYSA-N 1 0 445.426 -0.218 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC1CCN(c2ccc(Cl)nn2)CC1 ZINC001219567276 1073372957 /nfs/dbraw/zinc/37/29/57/1073372957.db2.gz DKAFJUBOHSOCRW-JSGCOSHPSA-N 1 0 437.932 -0.331 20 0 IBADRO O=C(NCc1cccc(OCCN2CCOCC2)c1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219567317 1073372685 /nfs/dbraw/zinc/37/26/85/1073372685.db2.gz GCGPQPMVHMGZNJ-IBGZPJMESA-N 1 0 441.536 -0.049 20 0 IBADRO O=C(NCc1cccc(OCCN2CCOCC2)c1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219567318 1073372817 /nfs/dbraw/zinc/37/28/17/1073372817.db2.gz GCGPQPMVHMGZNJ-LJQANCHMSA-N 1 0 441.536 -0.049 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCc1cccc(OCCN2CCOCC2)c1)C(N)=O ZINC001219568101 1073372991 /nfs/dbraw/zinc/37/29/91/1073372991.db2.gz ZNYULLDTNKGLCN-MAUKXSAKSA-N 1 0 435.525 -0.889 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CCCCC1=O ZINC001219569459 1073372887 /nfs/dbraw/zinc/37/28/87/1073372887.db2.gz QLMDQEKOKJQVAZ-RXVVDRJESA-N 1 0 445.564 -0.058 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CCCCC1=O)C(=O)CF ZINC001219569476 1073372926 /nfs/dbraw/zinc/37/29/26/1073372926.db2.gz QXCFAFUZNNLTGL-DEYYWGMASA-N 1 0 443.520 -0.983 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCCC(=O)N1CCOCC1 ZINC001219573783 1073373488 /nfs/dbraw/zinc/37/34/88/1073373488.db2.gz VVRYAPZUQIJIQF-ULQDDVLXSA-N 1 0 439.557 -0.779 20 0 IBADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NCCC(=O)N3CCOCC3)c2)cc1 ZINC001219573792 1073373185 /nfs/dbraw/zinc/37/31/85/1073373185.db2.gz WJAPBTFKJAAWJG-GOSISDBHSA-N 1 0 449.533 -0.337 20 0 IBADRO O=C(N[C@H](CO)[C@H](O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219580056 1073373323 /nfs/dbraw/zinc/37/33/23/1073373323.db2.gz JFGAMNDBLWAROB-BFHYXJOUSA-N 1 0 433.324 -0.264 20 0 IBADRO O=C(N[C@H](CO)[C@@H](O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219580057 1073373243 /nfs/dbraw/zinc/37/32/43/1073373243.db2.gz JFGAMNDBLWAROB-MCIONIFRSA-N 1 0 433.324 -0.264 20 0 IBADRO O=C(N[C@H](CO)[C@H](O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219580058 1073373207 /nfs/dbraw/zinc/37/32/07/1073373207.db2.gz JFGAMNDBLWAROB-MGPQQGTHSA-N 1 0 433.324 -0.264 20 0 IBADRO O=C(N[C@H](CO)[C@@H](O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219580059 1073373419 /nfs/dbraw/zinc/37/34/19/1073373419.db2.gz JFGAMNDBLWAROB-MJBXVCDLSA-N 1 0 433.324 -0.264 20 0 IBADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)N(CC[NH3+])S(C)(=O)=O)c2)cc1 ZINC001219593628 1073373258 /nfs/dbraw/zinc/37/32/58/1073373258.db2.gz ALFDSCSCERITRZ-OAHLLOKOSA-N 1 0 429.524 -0.955 20 0 IBADRO Cc1cc(C)n(CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)n1 ZINC001219595521 1073373398 /nfs/dbraw/zinc/37/33/98/1073373398.db2.gz DNBWOPKYVFSWGH-MPGHIAIKSA-N 1 0 440.520 -0.482 20 0 IBADRO Cc1ncc(CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)s1 ZINC001219595777 1073373465 /nfs/dbraw/zinc/37/34/65/1073373465.db2.gz PCDLFSITZHKJNO-NKFCBESUSA-N 1 0 429.518 -0.031 20 0 IBADRO Cc1cnc(CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)nc1 ZINC001219601095 1073373270 /nfs/dbraw/zinc/37/32/70/1073373270.db2.gz OGWHHIIVIDVIFW-DEYYWGMASA-N 1 0 438.504 -0.655 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H](O)c1ccco1)C(=O)CF ZINC001219604763 1073373342 /nfs/dbraw/zinc/37/33/42/1073373342.db2.gz YXZVMQFLSWJQGZ-DIGLBZAJSA-N 1 0 428.461 -0.669 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H](O)c1ccco1)C(=O)CF ZINC001219604764 1073373226 /nfs/dbraw/zinc/37/32/26/1073373226.db2.gz YXZVMQFLSWJQGZ-GWIFVGGISA-N 1 0 428.461 -0.669 20 0 IBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219612617 1073373511 /nfs/dbraw/zinc/37/35/11/1073373511.db2.gz BQGIMIBTLLYPIJ-DEYYWGMASA-N 1 0 447.458 -0.485 20 0 IBADRO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219612618 1073373365 /nfs/dbraw/zinc/37/33/65/1073373365.db2.gz BQGIMIBTLLYPIJ-SUNYJGFJSA-N 1 0 447.458 -0.485 20 0 IBADRO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)Cn1ccnc12 ZINC001219615819 1073373440 /nfs/dbraw/zinc/37/34/40/1073373440.db2.gz FCYUDVGJXCOJCT-YZVOILCLSA-N 1 0 438.504 -0.567 20 0 IBADRO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)Cn1ccnc12 ZINC001219615820 1073373133 /nfs/dbraw/zinc/37/31/33/1073373133.db2.gz FCYUDVGJXCOJCT-ZRGWGRIASA-N 1 0 438.504 -0.567 20 0 IBADRO CCN1CCN(C(=O)N[C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c2ccccc2)C(=O)C1=O ZINC001219620170 1073373856 /nfs/dbraw/zinc/37/38/56/1073373856.db2.gz XLAMSJDRTCEIJH-GCKMJXCFSA-N 1 0 449.483 -0.693 20 0 IBADRO O=C(CNC(=O)OCC1=Cc2ccccc2S1(=O)=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621717 1073373834 /nfs/dbraw/zinc/37/38/34/1073373834.db2.gz FQNADRBYADOZJQ-MAUKXSAKSA-N 1 0 427.454 -0.280 20 0 IBADRO CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219626364 1073373876 /nfs/dbraw/zinc/37/38/76/1073373876.db2.gz SKRRPWMAFUIXCP-PKOBYXMFSA-N 1 0 428.530 -0.366 20 0 IBADRO CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NC[C@]4(O)CC[NH2+]C[C@@H]4F)cn32)C1 ZINC001219627801 1073373966 /nfs/dbraw/zinc/37/39/66/1073373966.db2.gz HVWSJXNXELJDAX-UVBSCNOISA-N 1 0 440.501 -0.730 20 0 IBADRO CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)NC[C@]4(O)CC[NH2+]C[C@@H]4F)cn32)C1 ZINC001219627802 1073373756 /nfs/dbraw/zinc/37/37/56/1073373756.db2.gz HVWSJXNXELJDAX-XAYKYTGQSA-N 1 0 440.501 -0.730 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CCCCO1 ZINC001219632996 1073373714 /nfs/dbraw/zinc/37/37/14/1073373714.db2.gz VMGBEVOCXBLLCG-ICSRJNTNSA-N 1 0 433.553 -0.043 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CCCCO1)C(=O)CF ZINC001219633213 1073373944 /nfs/dbraw/zinc/37/39/44/1073373944.db2.gz ZIPRYVGRQAXXIG-ZQIUZPCESA-N 1 0 431.509 -0.969 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cn(C)cn1 ZINC001219634088 1073373774 /nfs/dbraw/zinc/37/37/74/1073373774.db2.gz NCJWZLDLKFDJSB-ICSRJNTNSA-N 1 0 428.537 -0.094 20 0 IBADRO COC(=O)c1csc(CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC001219669353 1073374527 /nfs/dbraw/zinc/37/45/27/1073374527.db2.gz VLINVSBYEPZOFX-STQMWFEESA-N 1 0 439.538 -0.055 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671234 1073374480 /nfs/dbraw/zinc/37/44/80/1073374480.db2.gz DBKJNXDWFZNZPF-BQFCYCMXSA-N 1 0 438.550 -0.883 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671235 1073374438 /nfs/dbraw/zinc/37/44/38/1073374438.db2.gz DBKJNXDWFZNZPF-RYRKJORJSA-N 1 0 438.550 -0.883 20 0 IBADRO CCOC(=O)c1nc[nH]c1CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219676436 1073374179 /nfs/dbraw/zinc/37/41/79/1073374179.db2.gz KKOFQUVAQZCLLP-KBPBESRZSA-N 1 0 436.513 -0.398 20 0 IBADRO [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676441 1073374329 /nfs/dbraw/zinc/37/43/29/1073374329.db2.gz KOIIZFIEPCFKFA-NSHDSACASA-N 1 0 425.374 -0.268 20 0 IBADRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676936 1073374391 /nfs/dbraw/zinc/37/43/91/1073374391.db2.gz ZSPWOJUWVDNGAH-ZWKOTPCHSA-N 1 0 438.550 -0.741 20 0 IBADRO [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678249 1073375118 /nfs/dbraw/zinc/37/51/18/1073375118.db2.gz ILAPLXNZOLQYIJ-INIZCTEOSA-N 1 0 438.506 -0.890 20 0 IBADRO CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N3CCNCC3)ccc2O1 ZINC001219678257 1073375039 /nfs/dbraw/zinc/37/50/39/1073375039.db2.gz IMWMUSSWNPQLNY-INIZCTEOSA-N 1 0 426.539 -0.447 20 0 IBADRO CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N2CCNCC2)cc1 ZINC001219678276 1073374820 /nfs/dbraw/zinc/37/48/20/1073374820.db2.gz JFUVRVWFVJKOSB-KRWDZBQOSA-N 1 0 440.566 -0.137 20 0 IBADRO [NH3+][C@H]1CCCN([C@@H](C(=O)NCCS(=O)(=O)N2CCNCC2)c2cc3ccccc3[nH]2)C1 ZINC001219678431 1073374852 /nfs/dbraw/zinc/37/48/52/1073374852.db2.gz OBJFMSPZIVKIJI-FXAWDEMLSA-N 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O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001219831700 1073378497 /nfs/dbraw/zinc/37/84/97/1073378497.db2.gz UTBMDWDGDHUSDV-XEGUMIITSA-N 1 0 439.516 -0.033 20 0 IBADRO CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NC[C@H]4C[C@@H]5C[NH2+]C[C@@H]5O4)cn32)C1 ZINC001219833463 1073378528 /nfs/dbraw/zinc/37/85/28/1073378528.db2.gz DSUMIONMLYFIER-MIGQKNRLSA-N 1 0 434.522 -0.415 20 0 IBADRO CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)NC[C@H]4C[C@@H]5C[NH2+]C[C@@H]5O4)cn32)C1 ZINC001219833466 1073378504 /nfs/dbraw/zinc/37/85/04/1073378504.db2.gz DSUMIONMLYFIER-XZDPQHSOSA-N 1 0 434.522 -0.415 20 0 IBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C(C)C ZINC001219836632 1073378609 /nfs/dbraw/zinc/37/86/09/1073378609.db2.gz BEMAAPDLWQSPIZ-BOSXTWCSSA-N 1 0 444.598 -0.494 20 0 IBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C(C)C ZINC001219836633 1073378580 /nfs/dbraw/zinc/37/85/80/1073378580.db2.gz BEMAAPDLWQSPIZ-NHAYFPRASA-N 1 0 444.598 -0.494 20 0 IBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C(C)C ZINC001219836634 1073378490 /nfs/dbraw/zinc/37/84/90/1073378490.db2.gz BEMAAPDLWQSPIZ-OGNFBWPZSA-N 1 0 444.598 -0.494 20 0 IBADRO CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C(C)C ZINC001219836635 1073378510 /nfs/dbraw/zinc/37/85/10/1073378510.db2.gz BEMAAPDLWQSPIZ-YLAKUSLOSA-N 1 0 444.598 -0.494 20 0 IBADRO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001219836656 1073378662 /nfs/dbraw/zinc/37/86/62/1073378662.db2.gz BOFWWBBKGUDDHO-GKAYAJSDSA-N 1 0 444.532 -0.496 20 0 IBADRO O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001219836657 1073378602 /nfs/dbraw/zinc/37/86/02/1073378602.db2.gz BOFWWBBKGUDDHO-KEXUJGGDSA-N 1 0 444.532 -0.496 20 0 IBADRO O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001219836658 1073378622 /nfs/dbraw/zinc/37/86/22/1073378622.db2.gz BOFWWBBKGUDDHO-KGYLXKDPSA-N 1 0 444.532 -0.496 20 0 IBADRO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001219836659 1073378547 /nfs/dbraw/zinc/37/85/47/1073378547.db2.gz BOFWWBBKGUDDHO-XQQXVUDOSA-N 1 0 444.532 -0.496 20 0 IBADRO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C(C)C ZINC001219838170 1073379166 /nfs/dbraw/zinc/37/91/66/1073379166.db2.gz OKZOGSASQBGOHL-IAGYGMIVSA-N 1 0 440.541 -0.131 20 0 IBADRO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C(C)C ZINC001219838171 1073379132 /nfs/dbraw/zinc/37/91/32/1073379132.db2.gz OKZOGSASQBGOHL-JJDSTIRJSA-N 1 0 440.541 -0.131 20 0 IBADRO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C(C)C ZINC001219838172 1073378911 /nfs/dbraw/zinc/37/89/11/1073378911.db2.gz OKZOGSASQBGOHL-MXTNKPTQSA-N 1 0 440.541 -0.131 20 0 IBADRO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C(C)C ZINC001219838173 1073378850 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0 440.518 -0.062 20 0 IBADRO CCOC(=O)[C@H](NC(=O)CNC1CC[NH2+]CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282850 1073388184 /nfs/dbraw/zinc/38/81/84/1073388184.db2.gz OVIWJVNVBHJQMK-MSOLQXFVSA-N 1 0 427.523 -0.487 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283017 1073388108 /nfs/dbraw/zinc/38/81/08/1073388108.db2.gz QPEVRRGHPDWXTM-RDDKANTKSA-N 1 0 425.507 -0.879 20 0 IBADRO CCOC(=O)[C@H](NC(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283162 1073388149 /nfs/dbraw/zinc/38/81/49/1073388149.db2.gz UJILAKXDSMQDRU-KAKNBIBISA-N 1 0 440.518 -0.062 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])Cc1cncn1C)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283164 1073388132 /nfs/dbraw/zinc/38/81/32/1073388132.db2.gz UJVKRHDJSGXBJM-BBWFWOEESA-N 1 0 438.506 -0.525 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@H]([NH3+])CCC(=O)OC)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283532 1073388097 /nfs/dbraw/zinc/38/80/97/1073388097.db2.gz XQZNDYVPADNHQJ-BMFZPTHFSA-N 1 0 430.479 -0.548 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)OC)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283533 1073388154 /nfs/dbraw/zinc/38/81/54/1073388154.db2.gz XQZNDYVPADNHQJ-IMJJTQAJSA-N 1 0 430.479 -0.548 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283541 1073388217 /nfs/dbraw/zinc/38/82/17/1073388217.db2.gz YAEFECYNSQKAAT-OAGGEKHMSA-N 1 0 426.491 -0.308 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283544 1073388049 /nfs/dbraw/zinc/38/80/49/1073388049.db2.gz YAEFECYNSQKAAT-XHSDSOJGSA-N 1 0 426.491 -0.308 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283641 1073388080 /nfs/dbraw/zinc/38/80/80/1073388080.db2.gz ZTCWUODVLVRSCL-YBKUAAOGSA-N 1 0 426.491 -0.593 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283961 1073388180 /nfs/dbraw/zinc/38/81/80/1073388180.db2.gz AGDAIJJVBXYYKZ-JZAWBGDQSA-N 1 0 426.491 -0.452 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283996 1073388209 /nfs/dbraw/zinc/38/82/09/1073388209.db2.gz BCUOVAZADVAIOS-GOJWANAUSA-N 1 0 434.536 -0.733 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[S@](C)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283997 1073388066 /nfs/dbraw/zinc/38/80/66/1073388066.db2.gz BCUOVAZADVAIOS-KWMBLPAVSA-N 1 0 434.536 -0.733 20 0 IBADRO CCOC(=O)[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284002 1073388197 /nfs/dbraw/zinc/38/81/97/1073388197.db2.gz BGGUEQGFSRSOTE-UAGQMJEPSA-N 1 0 441.506 -0.960 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284029 1073388204 /nfs/dbraw/zinc/38/82/04/1073388204.db2.gz CFZINDQHMBURKB-AZHAFVHUSA-N 1 0 429.495 -0.977 20 0 IBADRO CCOC(=O)[C@H](NC(=O)C[C@@H]([NH3+])CCC(N)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284034 1073388395 /nfs/dbraw/zinc/38/83/95/1073388395.db2.gz CMHRADKTTMRUEL-VUCTXSBTSA-N 1 0 429.495 -0.846 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@H]1C[NH2+]C[C@H]1OC(C)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284059 1073388403 /nfs/dbraw/zinc/38/84/03/1073388403.db2.gz DLKCYTSSSPETHF-HZMVEIRTSA-N 1 0 442.490 -0.678 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1OC(C)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284060 1073388539 /nfs/dbraw/zinc/38/85/39/1073388539.db2.gz DLKCYTSSSPETHF-NXOAAHMSSA-N 1 0 442.490 -0.678 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1OC(C)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284061 1073388454 /nfs/dbraw/zinc/38/84/54/1073388454.db2.gz DLKCYTSSSPETHF-TWMKSMIVSA-N 1 0 442.490 -0.678 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1OC(C)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284062 1073388548 /nfs/dbraw/zinc/38/85/48/1073388548.db2.gz DLKCYTSSSPETHF-VQHPVUNQSA-N 1 0 442.490 -0.678 20 0 IBADRO CCOC(=O)[C@H](NC(=O)C1(C(=O)OCC)C[NH2+]C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284109 1073388461 /nfs/dbraw/zinc/38/84/61/1073388461.db2.gz GDZDQUCBCZLKSK-CABCVRRESA-N 1 0 442.490 -0.676 20 0 IBADRO CCOC(=O)[C@H](NC(=O)CCCCNC(N)=[NH2+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284148 1073388561 /nfs/dbraw/zinc/38/85/61/1073388561.db2.gz HSTCIGFVGVYTBA-CVEARBPZSA-N 1 0 428.511 -0.175 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284169 1073388413 /nfs/dbraw/zinc/38/84/13/1073388413.db2.gz IJYVOEBNMRBRBE-RMWBKXBUSA-N 1 0 425.507 -0.607 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@H]1C[C@H](OC)CC[NH2+]1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284237 1073388407 /nfs/dbraw/zinc/38/84/07/1073388407.db2.gz KTFLCDFYRSQMPQ-DZUCGIPZSA-N 1 0 428.507 -0.062 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@@H](OC)CC[NH2+]1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284238 1073388568 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CCOC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284270 1073388434 /nfs/dbraw/zinc/38/84/34/1073388434.db2.gz LQZKFVLUVUFHEW-IREHDKGXSA-N 1 0 440.518 -0.204 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284271 1073388586 /nfs/dbraw/zinc/38/85/86/1073388586.db2.gz LQZKFVLUVUFHEW-XABWRGDLSA-N 1 0 440.518 -0.204 20 0 IBADRO CCOC(=O)[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284409 1073388826 /nfs/dbraw/zinc/38/88/26/1073388826.db2.gz ODDGYCWNYMLRES-SJORKVTESA-N 1 0 436.490 -0.146 20 0 IBADRO CCOC(=O)[C@H](NC(=O)c1n[nH]c2c1CC[NH2+]C2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284465 1073388990 /nfs/dbraw/zinc/38/89/90/1073388990.db2.gz QDPOSEIBGFVWED-SJORKVTESA-N 1 0 436.490 -0.146 20 0 IBADRO CCOC(=O)[C@H](NC(=O)COC1CC[NH2+]CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284493 1073388861 /nfs/dbraw/zinc/38/88/61/1073388861.db2.gz QTTBIBSCDGWBEP-MSOLQXFVSA-N 1 0 428.507 -0.060 20 0 IBADRO CCOC(=O)[C@H](NC(=O)c1ncn2c1C[NH2+]CC2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284601 1073388916 /nfs/dbraw/zinc/38/89/16/1073388916.db2.gz SSIDHMJUWHEAAB-SJORKVTESA-N 1 0 436.490 -0.215 20 0 IBADRO CCOC(=O)[C@H](NC(=O)CN1CCC[C@H]([NH2+]C)C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284750 1073388963 /nfs/dbraw/zinc/38/89/63/1073388963.db2.gz VJBSPSYXDOHTLY-IPELMVKDSA-N 1 0 441.550 -0.145 20 0 IBADRO CCOC(=O)[C@H](NC(=O)CN1CCC[C@@H]([NH2+]C)C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284755 1073388843 /nfs/dbraw/zinc/38/88/43/1073388843.db2.gz VJBSPSYXDOHTLY-LZQZEXGQSA-N 1 0 441.550 -0.145 20 0 IBADRO CCOC(=O)[C@H](NC(=O)CN(C)[C@H]1CCC[NH2+]C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284756 1073388847 /nfs/dbraw/zinc/38/88/47/1073388847.db2.gz VJSJRGQASBTQGI-IPELMVKDSA-N 1 0 441.550 -0.145 20 0 IBADRO CCOC(=O)[C@H](NC(=O)CN(C)[C@@H]1CCC[NH2+]C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284757 1073388968 /nfs/dbraw/zinc/38/89/68/1073388968.db2.gz VJSJRGQASBTQGI-LZQZEXGQSA-N 1 0 441.550 -0.145 20 0 IBADRO CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284774 1073388973 /nfs/dbraw/zinc/38/89/73/1073388973.db2.gz VTXMGYZDMDRHOA-BBWFWOEESA-N 1 0 428.507 -0.075 20 0 IBADRO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N[C@@H](CO)Cc3c[nH]cn3)c2)cc1 ZINC001220291790 1073388886 /nfs/dbraw/zinc/38/88/86/1073388886.db2.gz XTEXAVNQSMBKJQ-SJLPKXTDSA-N 1 0 432.506 -0.259 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C)C(N)=O ZINC001220294363 1073388865 /nfs/dbraw/zinc/38/88/65/1073388865.db2.gz RDJNWKARRLAWKW-MAZHCROVSA-N 1 0 436.509 -0.141 20 0 IBADRO COC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001220296442 1073389006 /nfs/dbraw/zinc/38/90/06/1073389006.db2.gz PONQALCPPMCYPJ-CFTTWAEZSA-N 1 0 431.493 -0.144 20 0 IBADRO COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001220296443 1073388926 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1073389424 /nfs/dbraw/zinc/38/94/24/1073389424.db2.gz LJKBAYXVHHXFLJ-PKWAYOAASA-N 1 0 444.895 -0.352 20 0 IBADRO COC(=O)c1n[nH]cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001220373285 1073389374 /nfs/dbraw/zinc/38/93/74/1073389374.db2.gz ICWWZNHOWHPTHE-YOEHRIQHSA-N 1 0 444.492 -0.038 20 0 IBADRO COC(=O)c1n[nH]cc1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220373672 1073389333 /nfs/dbraw/zinc/38/93/33/1073389333.db2.gz XINBJLSCJGAGFL-BHDSKKPTSA-N 1 0 442.448 -0.964 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1COCCN1C ZINC001220381041 1073389951 /nfs/dbraw/zinc/38/99/51/1073389951.db2.gz GEFNNJIMYTXEEE-BJLQDIEVSA-N 1 0 433.553 -0.740 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1COCCN1C ZINC001220381049 1073389888 /nfs/dbraw/zinc/38/98/88/1073389888.db2.gz GEFNNJIMYTXEEE-HBFSDRIKSA-N 1 0 433.553 -0.740 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ncccc1O)C(=O)CF ZINC001220390208 1073389936 /nfs/dbraw/zinc/38/99/36/1073389936.db2.gz SRANDTPEBDMXSC-PRXAMGSTSA-N 1 0 425.461 -0.695 20 0 IBADRO CCOC(=O)c1cccc(CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)n1 ZINC001220402730 1073389987 /nfs/dbraw/zinc/38/99/87/1073389987.db2.gz CDVTXXATIRHUAR-WMZOPIPTSA-N 1 0 430.461 -0.373 20 0 IBADRO COC(=O)[C@H]1CC[C@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1 ZINC001220406226 1073389789 /nfs/dbraw/zinc/38/97/89/1073389789.db2.gz MLIRWANVWMLGLH-DEEHTKSCSA-N 1 0 444.504 -0.654 20 0 IBADRO COC(=O)[C@H]1CC[C@@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1 ZINC001220406227 1073389919 /nfs/dbraw/zinc/38/99/19/1073389919.db2.gz MLIRWANVWMLGLH-LHLGERLTSA-N 1 0 444.504 -0.654 20 0 IBADRO COC(=O)[C@@H]1CC[C@@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1 ZINC001220406228 1073389874 /nfs/dbraw/zinc/38/98/74/1073389874.db2.gz MLIRWANVWMLGLH-SMRWVPHVSA-N 1 0 444.504 -0.654 20 0 IBADRO COC(=O)[C@@H]1CC[C@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1 ZINC001220406229 1073390009 /nfs/dbraw/zinc/39/00/09/1073390009.db2.gz MLIRWANVWMLGLH-WLZFUECHSA-N 1 0 444.504 -0.654 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220406703 1073389824 /nfs/dbraw/zinc/38/98/24/1073389824.db2.gz VZDHSICGKJCYOV-JENIJYKNSA-N 1 0 429.521 -0.127 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220406704 1073389829 /nfs/dbraw/zinc/38/98/29/1073389829.db2.gz VZDHSICGKJCYOV-LNLFQRSKSA-N 1 0 429.521 -0.127 20 0 IBADRO COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220408523 1073389771 /nfs/dbraw/zinc/38/97/71/1073389771.db2.gz GOJUWQNUECZUGD-AHIWAGSCSA-N 1 0 431.493 -0.308 20 0 IBADRO COc1ccc2c(c1)NC(=O)C[C@H]2CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220408524 1073389861 /nfs/dbraw/zinc/38/98/61/1073389861.db2.gz GOJUWQNUECZUGD-DCGLDWPTSA-N 1 0 431.493 -0.308 20 0 IBADRO Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)n(-c2ccccc2)c1=O ZINC001220413281 1073389969 /nfs/dbraw/zinc/38/99/69/1073389969.db2.gz DSCUVSXVGCQLEP-HNNXBMFYSA-N 1 0 437.460 -0.198 20 0 IBADRO Cn1c(=O)cc(NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)n(-c2ccccc2)c1=O ZINC001220415709 1073389836 /nfs/dbraw/zinc/38/98/36/1073389836.db2.gz UHYWAGZVHXSDNI-HNNXBMFYSA-N 1 0 432.502 -0.111 20 0 IBADRO Cn1c(=O)cc(NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)n(-c2ccccc2)c1=O ZINC001220415710 1073390368 /nfs/dbraw/zinc/39/03/68/1073390368.db2.gz UHYWAGZVHXSDNI-OAHLLOKOSA-N 1 0 432.502 -0.111 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(=O)n(C)c(=O)[nH]1 ZINC001220424637 1073390481 /nfs/dbraw/zinc/39/04/81/1073390481.db2.gz NTPRZBODVWWAJN-KSSFIOAISA-N 1 0 444.492 -0.749 20 0 IBADRO CCCn1c(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])cc(=O)n(CCC)c1=O ZINC001220424666 1073390348 /nfs/dbraw/zinc/39/03/48/1073390348.db2.gz OXZKNNKAGBGAHG-KBPBESRZSA-N 1 0 436.513 -0.777 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccc2n[nH]nc2c1)C(=O)CF ZINC001220426322 1073390423 /nfs/dbraw/zinc/39/04/23/1073390423.db2.gz DKYBRZONNKIMAU-GYOIFBIXSA-N 1 0 449.487 -0.524 20 0 IBADRO CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220428620 1073390357 /nfs/dbraw/zinc/39/03/57/1073390357.db2.gz BHVTXCOWVRJAEF-DFYYWFRZSA-N 1 0 432.546 -0.119 20 0 IBADRO CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220428621 1073390486 /nfs/dbraw/zinc/39/04/86/1073390486.db2.gz BHVTXCOWVRJAEF-DZIWXPPMSA-N 1 0 432.546 -0.119 20 0 IBADRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429145 1073390375 /nfs/dbraw/zinc/39/03/75/1073390375.db2.gz LZGVGUFKJLXWLR-LILSUDLASA-N 1 0 438.528 -0.014 20 0 IBADRO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NC[C@@H]4COCC[NH2+]4)cn32)C1 ZINC001220431488 1073390410 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/nfs/dbraw/zinc/39/10/00/1073391000.db2.gz BFEGISRKEDOHDN-QGZVFWFLSA-N 1 0 436.534 -0.561 20 0 IBADRO NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC001220433679 1073390983 /nfs/dbraw/zinc/39/09/83/1073390983.db2.gz DTPOPPMKLXJFSX-IBGZPJMESA-N 1 0 446.529 -0.007 20 0 IBADRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433708 1073390823 /nfs/dbraw/zinc/39/08/23/1073390823.db2.gz GJGGHJJBEDLTFS-IAGOWNOFSA-N 1 0 425.507 -0.278 20 0 IBADRO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433725 1073390869 /nfs/dbraw/zinc/39/08/69/1073390869.db2.gz GYDVCMYSMYXRSX-KSSFIOAISA-N 1 0 426.539 -0.187 20 0 IBADRO CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433950 1073390885 /nfs/dbraw/zinc/39/08/85/1073390885.db2.gz OVURIRUQKNDIOU-SFHVURJKSA-N 1 0 426.539 -0.043 20 0 IBADRO CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433964 1073390913 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426.562 -0.001 20 0 IBADRO C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001221266606 1073422365 /nfs/dbraw/zinc/42/23/65/1073422365.db2.gz UPQKTYNGYCOBMG-HZPDHXFCSA-N 1 0 426.562 -0.001 20 0 IBADRO C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001221266608 1073422778 /nfs/dbraw/zinc/42/27/78/1073422778.db2.gz UPQKTYNGYCOBMG-JKSUJKDBSA-N 1 0 426.562 -0.001 20 0 IBADRO COc1cc2c(cc1OC)C1(C[C@@H]2CC(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)CC[NH2+]CC1 ZINC001221267049 1073422797 /nfs/dbraw/zinc/42/27/97/1073422797.db2.gz ZTNOYCJHTAIPOV-CUCDBKBVSA-N 1 0 430.553 -0.279 20 0 IBADRO COc1cc2c(cc1OC)C1(C[C@@H]2CC(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)CC[NH2+]CC1 ZINC001221267051 1073422862 /nfs/dbraw/zinc/42/28/62/1073422862.db2.gz ZTNOYCJHTAIPOV-DJJREKMQSA-N 1 0 430.553 -0.279 20 0 IBADRO COc1cc2c(cc1OC)C1(C[C@@H]2CC(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)CC[NH2+]CC1 ZINC001221267052 1073422916 /nfs/dbraw/zinc/42/29/16/1073422916.db2.gz 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/nfs/dbraw/zinc/42/28/88/1073422888.db2.gz WPHCGIIBIKTJOX-CGTJXYLNSA-N 1 0 431.537 -0.176 20 0 IBADRO C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)C(N)=O ZINC001221278531 1073422939 /nfs/dbraw/zinc/42/29/39/1073422939.db2.gz WPHCGIIBIKTJOX-JQHSSLGASA-N 1 0 431.537 -0.176 20 0 IBADRO COc1cccc2c1CC[C@H](CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001221301108 1073422869 /nfs/dbraw/zinc/42/28/69/1073422869.db2.gz TXSUFZXQQKELOE-HNNXBMFYSA-N 1 0 447.536 -0.996 20 0 IBADRO COc1cccc2c1CC[C@@H](CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001221301116 1073422933 /nfs/dbraw/zinc/42/29/33/1073422933.db2.gz TXSUFZXQQKELOE-OAHLLOKOSA-N 1 0 447.536 -0.996 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCCNC(=O)c1cccs1 ZINC001221309064 1073423035 /nfs/dbraw/zinc/42/30/35/1073423035.db2.gz GLSGDUPNGRVMFG-GJZGRUSLSA-N 1 0 437.566 -0.007 20 0 IBADRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1cnc(Cl)cn1)C(=O)CF ZINC001221319380 1073422760 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1073424563 /nfs/dbraw/zinc/42/45/63/1073424563.db2.gz BAPJKSVPOWDRQC-MEOSDYHSSA-N 1 0 432.525 -0.538 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001221347663 1073424314 /nfs/dbraw/zinc/42/43/14/1073424314.db2.gz BAPJKSVPOWDRQC-PCPGWFQFSA-N 1 0 432.525 -0.538 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001221347665 1073424244 /nfs/dbraw/zinc/42/42/44/1073424244.db2.gz BAPJKSVPOWDRQC-WFNJMBFTSA-N 1 0 432.525 -0.538 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221347729 1073424677 /nfs/dbraw/zinc/42/46/77/1073424677.db2.gz BVUKDPPOELFKIF-OWSLCNJRSA-N 1 0 431.541 -0.870 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221347730 1073424185 /nfs/dbraw/zinc/42/41/85/1073424185.db2.gz BVUKDPPOELFKIF-VSZNYVQBSA-N 1 0 431.541 -0.870 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221347731 1073424441 /nfs/dbraw/zinc/42/44/41/1073424441.db2.gz BVUKDPPOELFKIF-XLAORIBOSA-N 1 0 431.541 -0.870 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221347732 1073424484 /nfs/dbraw/zinc/42/44/84/1073424484.db2.gz BVUKDPPOELFKIF-XSLAGTTESA-N 1 0 431.541 -0.870 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001221347745 1073424610 /nfs/dbraw/zinc/42/46/10/1073424610.db2.gz CJLSBOPQKJIUFY-ULQDDVLXSA-N 1 0 438.492 -0.640 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001221347836 1073424717 /nfs/dbraw/zinc/42/47/17/1073424717.db2.gz DMRIWXSKZVVRKJ-GHYVTOPFSA-N 1 0 430.431 -0.156 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 ZINC001221347840 1073424742 /nfs/dbraw/zinc/42/47/42/1073424742.db2.gz DMRIWXSKZVVRKJ-PYJNHQTQSA-N 1 0 430.431 -0.156 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001221347842 1073425313 /nfs/dbraw/zinc/42/53/13/1073425313.db2.gz DMRIWXSKZVVRKJ-SAXRGWBVSA-N 1 0 430.431 -0.156 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 ZINC001221347843 1073425488 /nfs/dbraw/zinc/42/54/88/1073425488.db2.gz DMRIWXSKZVVRKJ-ZZVYKPCYSA-N 1 0 430.431 -0.156 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC001221347911 1073425525 /nfs/dbraw/zinc/42/55/25/1073425525.db2.gz DYOSWLAARONBSS-VJANTYMQSA-N 1 0 448.568 -0.038 20 0 IBADRO CCOc1ccc(C[C@H]([NH3+])C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001221348170 1073425508 /nfs/dbraw/zinc/42/55/08/1073425508.db2.gz HSCGYEVVSQFOTP-FHWLQOOXSA-N 1 0 442.520 -0.118 20 0 IBADRO C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348192 1073425403 /nfs/dbraw/zinc/42/54/03/1073425403.db2.gz IBZYAGTZNYENKM-KKUMJFAQSA-N 1 0 436.513 -0.767 20 0 IBADRO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348369 1073425515 /nfs/dbraw/zinc/42/55/15/1073425515.db2.gz ILKKKRTWRWEIIX-ILXRZTDVSA-N 1 0 436.513 -0.638 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]1([NH3+])CCc2cc(F)ccc2C1 ZINC001221348370 1073425393 /nfs/dbraw/zinc/42/53/93/1073425393.db2.gz IPMNVHNIOBVVGS-NPPFBWRTSA-N 1 0 442.495 -0.061 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@]1([NH3+])CCc2cc(F)ccc2C1 ZINC001221348372 1073425456 /nfs/dbraw/zinc/42/54/56/1073425456.db2.gz IPMNVHNIOBVVGS-SPEDKVCISA-N 1 0 442.495 -0.061 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001221348446 1073425416 /nfs/dbraw/zinc/42/54/16/1073425416.db2.gz JPEPKKLLOFLEIE-IOFRSVQKSA-N 1 0 432.525 -0.538 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001221348447 1073425499 /nfs/dbraw/zinc/42/54/99/1073425499.db2.gz JPEPKKLLOFLEIE-MEOSDYHSSA-N 1 0 432.525 -0.538 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001221348449 1073425476 /nfs/dbraw/zinc/42/54/76/1073425476.db2.gz JPEPKKLLOFLEIE-PCPGWFQFSA-N 1 0 432.525 -0.538 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001221348451 1073425463 /nfs/dbraw/zinc/42/54/63/1073425463.db2.gz JPEPKKLLOFLEIE-WFNJMBFTSA-N 1 0 432.525 -0.538 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1 ZINC001221348501 1073425349 /nfs/dbraw/zinc/42/53/49/1073425349.db2.gz KMSNPEZSKQIEBX-VJANTYMQSA-N 1 0 440.504 -0.277 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001221348511 1073425443 /nfs/dbraw/zinc/42/54/43/1073425443.db2.gz 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/nfs/dbraw/zinc/42/61/81/1073426181.db2.gz OXOFYVXWHNTCNI-VJANTYMQSA-N 1 0 442.520 -0.766 20 0 IBADRO C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348901 1073426111 /nfs/dbraw/zinc/42/61/11/1073426111.db2.gz PXMKJYKXCQNMMO-FCLVOEFKSA-N 1 0 442.520 -0.154 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001221348923 1073425837 /nfs/dbraw/zinc/42/58/37/1073425837.db2.gz QNDIOGQKDYMNSU-ZFWWWQNUSA-N 1 0 446.537 -0.907 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC001221348937 1073426025 /nfs/dbraw/zinc/42/60/25/1073426025.db2.gz QYQKRESCOLYLMG-OALUTQOASA-N 1 0 439.520 -0.363 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001221349127 1073426082 /nfs/dbraw/zinc/42/60/82/1073426082.db2.gz REBURNVYEGSZNA-RFGFWPKPSA-N 1 0 430.431 -0.156 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001221349142 1073426264 /nfs/dbraw/zinc/42/62/64/1073426264.db2.gz RPZWXQFSHZUERT-JLSDUUJJSA-N 1 0 427.509 -0.476 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@H]1C[NH2+]Cc2cccn2C1 ZINC001221349143 1073425890 /nfs/dbraw/zinc/42/58/90/1073425890.db2.gz RPZWXQFSHZUERT-WBAXXEDZSA-N 1 0 427.509 -0.476 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001221349201 1073426054 /nfs/dbraw/zinc/42/60/54/1073426054.db2.gz TUAFPXNBIYNTJB-OWSLCNJRSA-N 1 0 425.493 -0.341 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CCOCc1ccccc1 ZINC001221349223 1073426301 /nfs/dbraw/zinc/42/63/01/1073426301.db2.gz UFXXQAPMQGDYQK-FHWLQOOXSA-N 1 0 442.520 -0.153 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001221349329 1073425999 /nfs/dbraw/zinc/42/59/99/1073425999.db2.gz VPJFWGRFRVOVNM-IRXDYDNUSA-N 1 0 440.508 -0.968 20 0 IBADRO COc1ccc([C@@H]([NH3+])CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001221349335 1073426350 /nfs/dbraw/zinc/42/63/50/1073426350.db2.gz VSBSOBWWODVHGD-JYJNAYRXSA-N 1 0 429.481 -0.593 20 0 IBADRO C[NH2+][C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349544 1073426389 /nfs/dbraw/zinc/42/63/89/1073426389.db2.gz YPPUSBLDJXRMIJ-FHWLQOOXSA-N 1 0 442.520 -0.282 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@@H]([NH3+])COCc1ccccc1 ZINC001221349632 1073426214 /nfs/dbraw/zinc/42/62/14/1073426214.db2.gz ZZOGCVCMZCGADK-NEWSRXKRSA-N 1 0 442.520 -0.153 20 0 IBADRO C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350111 1073426330 /nfs/dbraw/zinc/42/63/30/1073426330.db2.gz NNORUIZLLQRRPA-IHRRRGAJSA-N 1 0 436.513 -0.335 20 0 IBADRO C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350289 1073426344 /nfs/dbraw/zinc/42/63/44/1073426344.db2.gz QXWYZLYXDDGSDS-IHRRRGAJSA-N 1 0 431.555 -0.248 20 0 IBADRO C[C@H](NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221350291 1073426905 /nfs/dbraw/zinc/42/69/05/1073426905.db2.gz QXWYZLYXDDGSDS-MELADBBJSA-N 1 0 431.555 -0.248 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCCNC(=O)[C@@H]([NH3+])Cc3nnn[n-]3)ccc12 ZINC001221351676 1073426886 /nfs/dbraw/zinc/42/68/86/1073426886.db2.gz RHAVIZXHNXENEC-GJZGRUSLSA-N 1 0 442.480 -0.263 20 0 IBADRO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001221356675 1073426811 /nfs/dbraw/zinc/42/68/11/1073426811.db2.gz BNWVXIYWNDGCMO-FHWLQOOXSA-N 1 0 436.553 -0.398 20 0 IBADRO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001221356676 1073426842 /nfs/dbraw/zinc/42/68/42/1073426842.db2.gz BNWVXIYWNDGCMO-GBESFXJTSA-N 1 0 436.553 -0.398 20 0 IBADRO COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221360143 1073426726 /nfs/dbraw/zinc/42/67/26/1073426726.db2.gz 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436.490 -0.045 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)[C@H]3CC[NH2+]C3)ccc12 ZINC001238869028 1073489908 /nfs/dbraw/zinc/48/99/08/1073489908.db2.gz ARJYELGTKCASRG-ZFWWWQNUSA-N 1 0 436.490 -0.045 20 0 IBADRO CC(C)(C)OC(=O)CCOCCOCCOCCOCCNS(=O)(=O)CC[NH3+] ZINC001238884836 1073489832 /nfs/dbraw/zinc/48/98/32/1073489832.db2.gz DIVCCTSULJPEEL-UHFFFAOYSA-N 1 0 428.548 -0.337 20 0 IBADRO COCCOCCOCCOCCOCCOCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238884846 1073489736 /nfs/dbraw/zinc/48/97/36/1073489736.db2.gz DRNBNPXVLGJICU-UHFFFAOYSA-N 1 0 442.575 -0.613 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=O)NS(=O)(=O)CC[NH3+])ccc12 ZINC001238896444 1073489815 /nfs/dbraw/zinc/48/98/15/1073489815.db2.gz XPHUJEMBFUQEGG-AWEZNQCLSA-N 1 0 439.494 -0.265 20 0 IBADRO COC(=O)[C@@H](NS(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC001238896813 1073489889 /nfs/dbraw/zinc/48/98/89/1073489889.db2.gz ATYBHCBDGKVOJM-BBRMVZONSA-N 1 0 426.495 -0.020 20 0 IBADRO 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COC(=O)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001238898313 1073490700 /nfs/dbraw/zinc/49/07/00/1073490700.db2.gz QMYPHFCKLNTLLB-CZUORRHYSA-N 1 0 447.535 -0.863 20 0 IBADRO COC(=O)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC001238898315 1073490666 /nfs/dbraw/zinc/49/06/66/1073490666.db2.gz QMYPHFCKLNTLLB-XJKSGUPXSA-N 1 0 447.535 -0.863 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)CNS(=O)(=O)CC[NH3+])ccc12 ZINC001238899233 1073490704 /nfs/dbraw/zinc/49/07/04/1073490704.db2.gz IMRJBEKNGFFDKU-HNNXBMFYSA-N 1 0 436.490 -0.091 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(N)=O)NS(=O)(=O)CC[NH3+])ccc12 ZINC001238902738 1073490593 /nfs/dbraw/zinc/49/05/93/1073490593.db2.gz XPHUJEMBFUQEGG-CQSZACIVSA-N 1 0 439.494 -0.265 20 0 IBADRO CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCN1 ZINC001238903176 1073490549 /nfs/dbraw/zinc/49/05/49/1073490549.db2.gz KDNNUAUGALOMMM-HNNXBMFYSA-N 1 0 427.527 -0.211 20 0 IBADRO CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCN1 ZINC001238903180 1073490574 /nfs/dbraw/zinc/49/05/74/1073490574.db2.gz KDNNUAUGALOMMM-OAHLLOKOSA-N 1 0 427.527 -0.211 20 0 IBADRO CN1CCN(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3C[NH2+]CCN3)c(Cl)c2)CC1 ZINC001238903904 1073490683 /nfs/dbraw/zinc/49/06/83/1073490683.db2.gz NPFXQEZSBUKUAY-AWEZNQCLSA-N 1 0 430.962 -0.041 20 0 IBADRO CN1CCN(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3C[NH2+]CCN3)c(Cl)c2)CC1 ZINC001238903919 1073490640 /nfs/dbraw/zinc/49/06/40/1073490640.db2.gz NPFXQEZSBUKUAY-CQSZACIVSA-N 1 0 430.962 -0.041 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)CC1CC[NH2+]CC1)C(N)=O ZINC001238916098 1073490720 /nfs/dbraw/zinc/49/07/20/1073490720.db2.gz SCIKAOLBRXUGMA-MSOLQXFVSA-N 1 0 440.566 -0.152 20 0 IBADRO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)CC[NH3+] ZINC001238916243 1073490582 /nfs/dbraw/zinc/49/05/82/1073490582.db2.gz UKIYLPFXOOAUGG-OALUTQOASA-N 1 0 446.529 -0.380 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](C)NC(=O)CNS(=O)(=O)[C@@H]3CC[NH2+]C3)ccc12 ZINC001238916323 1073490658 /nfs/dbraw/zinc/49/06/58/1073490658.db2.gz VEWWCSLXZVDHPI-GXTWGEPZSA-N 1 0 436.490 -0.174 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](C)NC(=O)CNS(=O)(=O)[C@H]3CC[NH2+]C3)ccc12 ZINC001238916324 1073490675 /nfs/dbraw/zinc/49/06/75/1073490675.db2.gz VEWWCSLXZVDHPI-JSGCOSHPSA-N 1 0 436.490 -0.174 20 0 IBADRO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)C1CC[NH2+]CC1)C(N)=O ZINC001238916515 1073490623 /nfs/dbraw/zinc/49/06/23/1073490623.db2.gz YOAQDNSFJQERJM-SJORKVTESA-N 1 0 426.539 -0.399 20 0 IBADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNS(=O)(=O)C3CC[NH2+]CC3)ccc12 ZINC001238917367 1073490604 /nfs/dbraw/zinc/49/06/04/1073490604.db2.gz LBLOLNGNDUSPFF-UHFFFAOYSA-N 1 0 436.490 -0.172 20 0 IBADRO CNC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238917427 1073490529 /nfs/dbraw/zinc/49/05/29/1073490529.db2.gz LQGPADFHAJGVIW-INIZCTEOSA-N 1 0 448.567 -0.771 20 0 IBADRO O=C(CNS(=O)(=O)[C@@H]1CC[NH2+]C1)NCCOCCOCCOCc1ccccc1 ZINC001238920672 1073491293 /nfs/dbraw/zinc/49/12/93/1073491293.db2.gz YDOFZARJTKYXBM-GOSISDBHSA-N 1 0 429.539 -0.366 20 0 IBADRO O=C(CNS(=O)(=O)[C@H]1CC[NH2+]C1)NCCOCCOCCOCc1ccccc1 ZINC001238920698 1073491249 /nfs/dbraw/zinc/49/12/49/1073491249.db2.gz YDOFZARJTKYXBM-SFHVURJKSA-N 1 0 429.539 -0.366 20 0 IBADRO [NH3+]C[C@]1(O)CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001238932463 1073491308 /nfs/dbraw/zinc/49/13/08/1073491308.db2.gz IQYQOFHEDWFCNF-KRWDZBQOSA-N 1 0 433.552 -0.428 20 0 IBADRO [NH3+]C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001238932466 1073491367 /nfs/dbraw/zinc/49/13/67/1073491367.db2.gz IQYQOFHEDWFCNF-QGZVFWFLSA-N 1 0 433.552 -0.428 20 0 IBADRO [NH3+]C[C@@]1(O)CCCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001238942185 1073491258 /nfs/dbraw/zinc/49/12/58/1073491258.db2.gz CZKNBXIGBKTENQ-KRWDZBQOSA-N 1 0 433.552 -0.428 20 0 IBADRO [NH3+]C[C@]1(O)CCCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001238942186 1073491189 /nfs/dbraw/zinc/49/11/89/1073491189.db2.gz CZKNBXIGBKTENQ-QGZVFWFLSA-N 1 0 433.552 -0.428 20 0 IBADRO CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)N1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001238971674 1073491350 /nfs/dbraw/zinc/49/13/50/1073491350.db2.gz PLRBDKMISADZAZ-DZGCQCFKSA-N 1 0 428.511 -0.111 20 0 IBADRO CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)N1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001238974476 1073491283 /nfs/dbraw/zinc/49/12/83/1073491283.db2.gz PLRBDKMISADZAZ-ZFWWWQNUSA-N 1 0 428.511 -0.111 20 0 IBADRO CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)N1CC[NH2+]C[C@H](O)C1 ZINC001238987755 1073491318 /nfs/dbraw/zinc/49/13/18/1073491318.db2.gz GNBQARCJWAGPGE-HNNXBMFYSA-N 1 0 428.511 -0.096 20 0 IBADRO CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)N1CC[NH2+]C[C@@H](O)C1 ZINC001238987757 1073491262 /nfs/dbraw/zinc/49/12/62/1073491262.db2.gz GNBQARCJWAGPGE-OAHLLOKOSA-N 1 0 428.511 -0.096 20 0 IBADRO O=S(=O)(c1ccc(S(=O)(=O)N2CCNC3(CC[NH2+]CC3)C2)cc1)N1CCOCC1 ZINC001238989671 1073491359 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Cn1cc(N2C[C@]3(COCCN(S(=O)(=O)CC4CC[NH2+]CC4)C3)OCC2=O)cn1 ZINC001239079972 1073493823 /nfs/dbraw/zinc/49/38/23/1073493823.db2.gz ACIOXLKXFFPFGL-GOSISDBHSA-N 1 0 427.527 -0.816 20 0 IBADRO Cn1cc(N2C[C@@]3(COCCN(S(=O)(=O)CC4CC[NH2+]CC4)C3)OCC2=O)cn1 ZINC001239079976 1073493741 /nfs/dbraw/zinc/49/37/41/1073493741.db2.gz ACIOXLKXFFPFGL-SFHVURJKSA-N 1 0 427.527 -0.816 20 0 IBADRO O=C(NCc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC[NH2+]CC1)CCC2)N1CCCC1 ZINC001239080486 1073494523 /nfs/dbraw/zinc/49/45/23/1073494523.db2.gz AKSQCYQFCRLDTD-UHFFFAOYSA-N 1 0 438.554 -0.164 20 0 IBADRO O=S(=O)([C@H]1CC[NH2+]C1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001239080833 1073494471 /nfs/dbraw/zinc/49/44/71/1073494471.db2.gz GWKZASYQZZXTJA-LTIDMASMSA-N 1 0 428.536 -0.869 20 0 IBADRO O=S(=O)([C@@H]1CC[NH2+]C1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001239080835 1073494483 /nfs/dbraw/zinc/49/44/83/1073494483.db2.gz GWKZASYQZZXTJA-WCXIOVBPSA-N 1 0 428.536 -0.869 20 0 IBADRO 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20 0 IBADRO O=S(=O)([C@H]1CC[NH2+]C1)N1C[C@@H]2c3nc(N4CCCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001239081865 1073494433 /nfs/dbraw/zinc/49/44/33/1073494433.db2.gz PKVZSGZUJMFUNC-SOUVJXGZSA-N 1 0 427.552 -0.535 20 0 IBADRO O=S(=O)(C1CC[NH2+]CC1)N1C[C@@H]2c3nc(N4CCCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001239082373 1073494511 /nfs/dbraw/zinc/49/45/11/1073494511.db2.gz SMJRLKJHKWRGQL-JKSUJKDBSA-N 1 0 441.579 -0.145 20 0 IBADRO Cn1ccnc1C(=O)NCc1cnc2n1CCN(S(=O)(=O)CC1CC[NH2+]CC1)CC2 ZINC001239082759 1073494464 /nfs/dbraw/zinc/49/44/64/1073494464.db2.gz NZVGEBWBRLDADR-UHFFFAOYSA-N 1 0 435.554 -0.266 20 0 IBADRO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CCN(S(=O)(=O)CC4CC[NH2+]CC4)C[C@@H]32)cn1 ZINC001239082954 1073494426 /nfs/dbraw/zinc/49/44/26/1073494426.db2.gz OIODUSOJYNZVHA-RYQLBKOJSA-N 1 0 425.555 -0.184 20 0 IBADRO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC[NH2+]CC1)CCC2 ZINC001239083015 1073494544 /nfs/dbraw/zinc/49/45/44/1073494544.db2.gz PANAUNDEDSYJPJ-UHFFFAOYSA-N 1 0 449.537 -0.806 20 0 IBADRO O=C(NC[C@H]1Cn2ccnc2CN(S(=O)(=O)CC2CC[NH2+]CC2)C1)c1ccnnc1 ZINC001239083207 1073494575 /nfs/dbraw/zinc/49/45/75/1073494575.db2.gz QLJWZWYCYGMUPW-INIZCTEOSA-N 1 0 433.538 -0.136 20 0 IBADRO O=C(NC[C@@H]1Cn2ccnc2CN(S(=O)(=O)CC2CC[NH2+]CC2)C1)c1ccnnc1 ZINC001239083208 1073494491 /nfs/dbraw/zinc/49/44/91/1073494491.db2.gz QLJWZWYCYGMUPW-MRXNPFEDSA-N 1 0 433.538 -0.136 20 0 IBADRO CN(C)C(=O)CN1C[C@H]2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001239083361 1073494456 /nfs/dbraw/zinc/49/44/56/1073494456.db2.gz YXPYCGOHULPQAV-HZPDHXFCSA-N 1 0 436.600 -0.870 20 0 IBADRO Cn1cc(C(=O)NCc2cnc3n2CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC3)cn1 ZINC001239083488 1073494565 /nfs/dbraw/zinc/49/45/65/1073494565.db2.gz UOYYJOZMNYVJMO-UHFFFAOYSA-N 1 0 435.554 -0.266 20 0 IBADRO COC(=O)[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001239087626 1073494443 /nfs/dbraw/zinc/49/44/43/1073494443.db2.gz PVIVOLVDCYKDHI-KBPBESRZSA-N 1 0 447.535 -0.782 20 0 IBADRO COC(=O)[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001239087631 1073494487 /nfs/dbraw/zinc/49/44/87/1073494487.db2.gz PVIVOLVDCYKDHI-KGLIPLIRSA-N 1 0 447.535 -0.782 20 0 IBADRO COC(=O)[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001239087634 1073495205 /nfs/dbraw/zinc/49/52/05/1073495205.db2.gz PVIVOLVDCYKDHI-UONOGXRCSA-N 1 0 447.535 -0.782 20 0 IBADRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001239087638 1073495054 /nfs/dbraw/zinc/49/50/54/1073495054.db2.gz PVIVOLVDCYKDHI-ZIAGYGMSSA-N 1 0 447.535 -0.782 20 0 IBADRO CCOC(=O)CN(CC[NH3+])S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001239092113 1073495136 /nfs/dbraw/zinc/49/51/36/1073495136.db2.gz YKMCCVZNPVDGIQ-UHFFFAOYSA-N 1 0 435.524 -0.780 20 0 IBADRO CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239095484 1073495173 /nfs/dbraw/zinc/49/51/73/1073495173.db2.gz DLZBBEJUGWUEKZ-UHFFFAOYSA-N 1 0 428.559 -0.390 20 0 IBADRO O=C(N1CCc2cc(S(=O)(=O)N3CCNCC[NH2+]CCNCC3)ccc21)C(F)(F)F ZINC001239095703 1073495037 /nfs/dbraw/zinc/49/50/37/1073495037.db2.gz GSKGEUDBWISFQS-UHFFFAOYSA-N 1 0 449.499 -0.089 20 0 IBADRO O=C(Nc1ccc(S(=O)(=O)N2CCNCC[NH2+]CCNCC2)cc1)N1CCOCC1 ZINC001239095727 1073495059 /nfs/dbraw/zinc/49/50/59/1073495059.db2.gz HOSOKAOSYJSGDT-UHFFFAOYSA-N 1 0 440.570 -0.676 20 0 IBADRO CCOc1ccc(NC(=O)N(C)C)cc1S(=O)(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239096048 1073495046 /nfs/dbraw/zinc/49/50/46/1073495046.db2.gz YCARHVPOGKIYGQ-UHFFFAOYSA-N 1 0 442.586 -0.048 20 0 IBADRO O=S(=O)(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C1COC1)C1CC[NH2+]CC1 ZINC001239100303 1073495167 /nfs/dbraw/zinc/49/51/67/1073495167.db2.gz VDLWRZFIOBCTDW-UHFFFAOYSA-N 1 0 445.563 -0.151 20 0 IBADRO O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@H]3COC[C@@H](C2)N3)cc1)N1CCOCC1 ZINC001239104772 1073495089 /nfs/dbraw/zinc/49/50/89/1073495089.db2.gz ZTBYCNYBESMFOZ-LSDHHAIUSA-N 1 0 431.536 -0.541 20 0 IBADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(S(=O)(=O)c3nc4nc(Cl)ccn4n3)C[C@H]1C2 ZINC001239107444 1073495759 /nfs/dbraw/zinc/49/57/59/1073495759.db2.gz JTZALRKCYYFTJG-IDYSPNNHSA-N 1 0 426.886 -0.203 20 0 IBADRO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)C[C@H]1C2 ZINC001239110912 1073495777 /nfs/dbraw/zinc/49/57/77/1073495777.db2.gz SJQBQVPYEJUTLG-ASKNOMKYSA-N 1 0 436.534 -0.063 20 0 IBADRO [NH3+]C1CN([C@H]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)C1 ZINC001239113259 1073495787 /nfs/dbraw/zinc/49/57/87/1073495787.db2.gz REDGBFXVMVREHL-INIZCTEOSA-N 1 0 444.579 -0.497 20 0 IBADRO [NH3+]C1CN([C@@H]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)C1 ZINC001239113260 1073495892 /nfs/dbraw/zinc/49/58/92/1073495892.db2.gz REDGBFXVMVREHL-MRXNPFEDSA-N 1 0 444.579 -0.497 20 0 IBADRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001239113316 1073495905 /nfs/dbraw/zinc/49/59/05/1073495905.db2.gz AZWPIKHKVDGRAK-UHFFFAOYSA-N 1 0 432.568 -0.767 20 0 IBADRO 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O=C(COC[C@H]1Cn2ccnc2CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040211 1073502156 /nfs/dbraw/zinc/50/21/56/1073502156.db2.gz GQFDFFOBEURLCX-MOPGFXCFSA-N 1 0 435.569 -0.181 20 0 IBADRO O=C(COC[C@@H]1Cn2ccnc2CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040216 1073501897 /nfs/dbraw/zinc/50/18/97/1073501897.db2.gz GQFDFFOBEURLCX-OALUTQOASA-N 1 0 435.569 -0.181 20 0 IBADRO O=C(COC[C@@H]1Cn2ccnc2CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040219 1073502132 /nfs/dbraw/zinc/50/21/32/1073502132.db2.gz GQFDFFOBEURLCX-RBUKOAKNSA-N 1 0 435.569 -0.181 20 0 IBADRO O=C(COC[C@H]1Cn2ccnc2CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C1)N1CCCC1 ZINC001246040220 1073501922 /nfs/dbraw/zinc/50/19/22/1073501922.db2.gz GQFDFFOBEURLCX-RTBURBONSA-N 1 0 435.569 -0.181 20 0 IBADRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001246040232 1073502023 /nfs/dbraw/zinc/50/20/23/1073502023.db2.gz MOKAPRYSMJAOOV-QZNHQXDQSA-N 1 0 440.548 -0.009 20 0 IBADRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001246040236 1073501936 /nfs/dbraw/zinc/50/19/36/1073501936.db2.gz MOKAPRYSMJAOOV-XJUOHMSHSA-N 1 0 440.548 -0.009 20 0 IBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246040737 1073502616 /nfs/dbraw/zinc/50/26/16/1073502616.db2.gz PXUZACFWZKMMSR-MOPGFXCFSA-N 1 0 437.585 -0.466 20 0 IBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246040745 1073502712 /nfs/dbraw/zinc/50/27/12/1073502712.db2.gz PXUZACFWZKMMSR-OALUTQOASA-N 1 0 437.585 -0.466 20 0 IBADRO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246040747 1073502723 /nfs/dbraw/zinc/50/27/23/1073502723.db2.gz PXUZACFWZKMMSR-RBUKOAKNSA-N 1 0 437.585 -0.466 20 0 IBADRO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246040749 1073502929 /nfs/dbraw/zinc/50/29/29/1073502929.db2.gz PXUZACFWZKMMSR-RTBURBONSA-N 1 0 437.585 -0.466 20 0 IBADRO 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O=C(CC1CC1)NCc1cc(=O)n2c(n1)CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2 ZINC001246041704 1073502671 /nfs/dbraw/zinc/50/26/71/1073502671.db2.gz CZNYRUWWGFPILV-SFHVURJKSA-N 1 0 433.553 -0.269 20 0 IBADRO Cn1cc(N2C[C@]3(COCCN(C[C@@H](O)[C@@H]([NH3+])Cc4ccccc4)C3)OCC2=O)cn1 ZINC001246042149 1073502834 /nfs/dbraw/zinc/50/28/34/1073502834.db2.gz PKUDVPHTJUBAEX-TUNNFDKTSA-N 1 0 429.521 -0.215 20 0 IBADRO Cn1cc(N2C[C@@]3(COCCN(C[C@@H](O)[C@@H]([NH3+])Cc4ccccc4)C3)OCC2=O)cn1 ZINC001246042151 1073502898 /nfs/dbraw/zinc/50/28/98/1073502898.db2.gz PKUDVPHTJUBAEX-VWPQPMDRSA-N 1 0 429.521 -0.215 20 0 IBADRO CN(C)C(=O)COCc1nnc2n1CCN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)C2 ZINC001246042457 1073503570 /nfs/dbraw/zinc/50/35/70/1073503570.db2.gz GPNNIPXIJFWWFE-DLBZAZTESA-N 1 0 438.479 -0.092 20 0 IBADRO O=C(NC[C@H]1Cn2ccnc2CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C1)c1ccnnc1 ZINC001246043557 1073503421 /nfs/dbraw/zinc/50/34/21/1073503421.db2.gz KCTNOFXYEXJIHK-AEFFLSMTSA-N 1 0 429.525 -0.600 20 0 IBADRO 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O=C(NCc1cc(=O)n2c(n1)CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)CCC2)c1ccco1 ZINC001246043978 1073503776 /nfs/dbraw/zinc/50/37/76/1073503776.db2.gz VDCDDWQCWSGLPP-KRWDZBQOSA-N 1 0 445.520 -0.163 20 0 IBADRO O=C(NCc1cc(=O)n2c(n1)CN(C[C@H](O)CC1(O)CC[NH2+]CC1)CCC2)c1ccco1 ZINC001246043981 1073503549 /nfs/dbraw/zinc/50/35/49/1073503549.db2.gz VDCDDWQCWSGLPP-QGZVFWFLSA-N 1 0 445.520 -0.163 20 0 IBADRO CC(C)(C)OC(=O)[C@H](O)CN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001246055679 1073504207 /nfs/dbraw/zinc/50/42/07/1073504207.db2.gz SMXYWTFSDMLFAW-HRCADAONSA-N 1 0 432.512 -0.095 20 0 IBADRO CC(C)(C)OC(=O)[C@@H](O)CN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001246055686 1073504325 /nfs/dbraw/zinc/50/43/25/1073504325.db2.gz SMXYWTFSDMLFAW-JYJNAYRXSA-N 1 0 432.512 -0.095 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCC(N)=O ZINC001246055939 1073504292 /nfs/dbraw/zinc/50/42/92/1073504292.db2.gz MWVPPTFUTIGDSW-LWYYNNOASA-N 1 0 447.580 -0.486 20 0 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442.582 -0.514 20 0 IBADRO COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CCN1 ZINC001246761196 1073522351 /nfs/dbraw/zinc/52/23/51/1073522351.db2.gz MWHZCBFQSSUWAR-GQIGUUNPSA-N 1 0 442.582 -0.514 20 0 IBADRO COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CCN1 ZINC001246761201 1073522537 /nfs/dbraw/zinc/52/25/37/1073522537.db2.gz MWHZCBFQSSUWAR-GUXCAODWSA-N 1 0 442.582 -0.514 20 0 IBADRO COC(=O)[C@@H]1C[C@@H]([NH+]2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CCN1 ZINC001246761206 1073522594 /nfs/dbraw/zinc/52/25/94/1073522594.db2.gz MWHZCBFQSSUWAR-TWOQFEAHSA-N 1 0 442.582 -0.514 20 0 IBADRO O=C(NC[C@H]1OC[C@@H]2CN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC[C@@H]21)c1cnccn1 ZINC001246761398 1073522476 /nfs/dbraw/zinc/52/24/76/1073522476.db2.gz RYKXPYHLGNWNBW-BRFLTPSNSA-N 1 0 446.577 -0.193 20 0 IBADRO O=C(NC[C@H]1OC[C@@H]2CN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC[C@@H]21)c1cnccn1 ZINC001246761399 1073522529 /nfs/dbraw/zinc/52/25/29/1073522529.db2.gz 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Cc1ccc(-c2noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2)c(Br)c1 ZINC001248547569 1073533947 /nfs/dbraw/zinc/53/39/47/1073533947.db2.gz QJFVANDAUWHNIY-UHFFFAOYSA-N 1 0 439.270 -0.385 20 0 IBADRO Cc1cc(-c2noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2)cc(C(F)(F)F)c1 ZINC001248547692 1073533929 /nfs/dbraw/zinc/53/39/29/1073533929.db2.gz SOGKMWPUGXNIKP-UHFFFAOYSA-N 1 0 428.371 -0.129 20 0 IBADRO Cc1cc(Br)cc(-c2noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2)c1 ZINC001248547701 1073533865 /nfs/dbraw/zinc/53/38/65/1073533865.db2.gz SXTGWXVQAZAKHQ-UHFFFAOYSA-N 1 0 439.270 -0.385 20 0 IBADRO [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2cccnc2OC2CCCCC2)no1 ZINC001248547727 1073534074 /nfs/dbraw/zinc/53/40/74/1073534074.db2.gz UBYBBIIJYKRSOY-UHFFFAOYSA-N 1 0 445.480 -0.350 20 0 IBADRO Cc1c(Br)cccc1-c1noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n1 ZINC001248547830 1073533908 /nfs/dbraw/zinc/53/39/08/1073533908.db2.gz UVBJOTBWEHGZPA-UHFFFAOYSA-N 1 0 439.270 -0.385 20 0 IBADRO Cc1ccc(-c2noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2)c(C(F)(F)F)c1 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C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001251416718 1073545780 /nfs/dbraw/zinc/54/57/80/1073545780.db2.gz QPHQZQRQZBNCHB-IXDOHACOSA-N 1 0 429.587 -0.510 20 0 IBADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001251416720 1073546377 /nfs/dbraw/zinc/54/63/77/1073546377.db2.gz QPHQZQRQZBNCHB-ZACQAIPSSA-N 1 0 429.587 -0.510 20 0 IBADRO Cc1cn(CC(=O)NCC[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC001251462778 1073547112 /nfs/dbraw/zinc/54/71/12/1073547112.db2.gz IYGJAWBSNLZICQ-IBGZPJMESA-N 1 0 425.486 -0.665 20 0 IBADRO Cc1cn(CC(=O)NCC[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC001251462779 1073546892 /nfs/dbraw/zinc/54/68/92/1073546892.db2.gz IYGJAWBSNLZICQ-LJQANCHMSA-N 1 0 425.486 -0.665 20 0 IBADRO Cc1cn([C@H]2C[C@H]([NH2+]C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001251469168 1073546933 /nfs/dbraw/zinc/54/69/33/1073546933.db2.gz XBWRZJWCCJYVAI-DSEONOSFSA-N 1 0 440.497 -0.133 20 0 IBADRO Cc1cn([C@H]2C[C@H]([NH2+]C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001251469169 1073546950 /nfs/dbraw/zinc/54/69/50/1073546950.db2.gz XBWRZJWCCJYVAI-LYKCQVCGSA-N 1 0 440.497 -0.133 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C1 ZINC001251479781 1073547159 /nfs/dbraw/zinc/54/71/59/1073547159.db2.gz LSJAHULFVKSKPW-HRAATJIYSA-N 1 0 436.509 -0.134 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C1 ZINC001251479782 1073546826 /nfs/dbraw/zinc/54/68/26/1073546826.db2.gz LSJAHULFVKSKPW-KKSFZXQISA-N 1 0 436.509 -0.134 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251480680 1073546910 /nfs/dbraw/zinc/54/69/10/1073546910.db2.gz TYEKVXBRKPAFBZ-DBHZFRFHSA-N 1 0 444.529 -0.481 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251480681 1073546750 /nfs/dbraw/zinc/54/67/50/1073546750.db2.gz TYEKVXBRKPAFBZ-FTIRYDQDSA-N 1 0 444.529 -0.481 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]CC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001251480777 1073546859 /nfs/dbraw/zinc/54/68/59/1073546859.db2.gz WFMNEMOVCNSOQX-HRAATJIYSA-N 1 0 436.509 -0.134 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]CC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001251480778 1073547124 /nfs/dbraw/zinc/54/71/24/1073547124.db2.gz WFMNEMOVCNSOQX-KKSFZXQISA-N 1 0 436.509 -0.134 20 0 IBADRO C[NH+]1CCN(c2ccccc2CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC001251636849 1073547989 /nfs/dbraw/zinc/54/79/89/1073547989.db2.gz SVLNKXSASVXRIN-UHFFFAOYSA-N 1 0 427.513 -0.521 20 0 IBADRO NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)COCC(F)(F)C(F)F ZINC001251649658 1073548161 /nfs/dbraw/zinc/54/81/61/1073548161.db2.gz FAJGISZZTCJZQH-OLZOCXBDSA-N 1 0 425.379 -0.228 20 0 IBADRO NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](O)COCC(F)(F)C(F)F ZINC001251649659 1073548052 /nfs/dbraw/zinc/54/80/52/1073548052.db2.gz FAJGISZZTCJZQH-STQMWFEESA-N 1 0 425.379 -0.228 20 0 IBADRO COC(=O)[C@H](CCCC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F)NC(=O)CNC(C)=O ZINC001251650472 1073548341 /nfs/dbraw/zinc/54/83/41/1073548341.db2.gz NKNDGVQKEBGPIE-OLZOCXBDSA-N 1 0 447.426 -0.182 20 0 IBADRO COC(=O)[C@H](CCCC[NH2+]C[C@H](O)COCC(F)(F)C(F)F)NC(=O)CNC(C)=O ZINC001251650473 1073548296 /nfs/dbraw/zinc/54/82/96/1073548296.db2.gz NKNDGVQKEBGPIE-STQMWFEESA-N 1 0 447.426 -0.182 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+]C[C@H](O)COCC(F)(F)C(F)F ZINC001251650772 1073548309 /nfs/dbraw/zinc/54/83/09/1073548309.db2.gz POMLBFAOKQFJOQ-IHRRRGAJSA-N 1 0 439.406 -0.572 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[NH2+]C[C@@H](O)COCC(F)(F)C(F)F ZINC001251650773 1073548199 /nfs/dbraw/zinc/54/81/99/1073548199.db2.gz POMLBFAOKQFJOQ-RDBSUJKOSA-N 1 0 439.406 -0.572 20 0 IBADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[NH2+]C[C@@H](O)COCC(F)(F)C(F)F ZINC001251651156 1073548901 /nfs/dbraw/zinc/54/89/01/1073548901.db2.gz STQWRAMGLGKAQX-OLZOCXBDSA-N 1 0 425.379 -0.228 20 0 IBADRO NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[NH2+]C[C@H](O)COCC(F)(F)C(F)F ZINC001251651157 1073548716 /nfs/dbraw/zinc/54/87/16/1073548716.db2.gz STQWRAMGLGKAQX-STQMWFEESA-N 1 0 425.379 -0.228 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)COCC(F)(F)C(F)F ZINC001251651690 1073548790 /nfs/dbraw/zinc/54/87/90/1073548790.db2.gz YWIBJLSSLLEUOD-NAKRPEOUSA-N 1 0 433.399 -0.575 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H](O)COCC(F)(F)C(F)F ZINC001251651693 1073548834 /nfs/dbraw/zinc/54/88/34/1073548834.db2.gz YWIBJLSSLLEUOD-XWLWVQCSSA-N 1 0 433.399 -0.575 20 0 IBADRO C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 ZINC001251731497 1073550598 /nfs/dbraw/zinc/55/05/98/1073550598.db2.gz IANOULHIJPJWGZ-GOSISDBHSA-N 1 0 426.495 -0.804 20 0 IBADRO C[N@@H+]1CC[C@](O)(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 ZINC001251731498 1073550495 /nfs/dbraw/zinc/55/04/95/1073550495.db2.gz IANOULHIJPJWGZ-SFHVURJKSA-N 1 0 426.495 -0.804 20 0 IBADRO C[NH+](C)C[C@](C)(O)CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001251731857 1073550455 /nfs/dbraw/zinc/55/04/55/1073550455.db2.gz PGIFICFOTHZOHS-GOSISDBHSA-N 1 0 428.511 -0.558 20 0 IBADRO C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC001251731858 1073550630 /nfs/dbraw/zinc/55/06/30/1073550630.db2.gz PGIFICFOTHZOHS-SFHVURJKSA-N 1 0 428.511 -0.558 20 0 IBADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC001251740837 1073550955 /nfs/dbraw/zinc/55/09/55/1073550955.db2.gz KXYRSDZFNGKIOU-UHFFFAOYSA-N 1 0 431.603 -0.263 20 0 IBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800927 1073551789 /nfs/dbraw/zinc/55/17/89/1073551789.db2.gz BYHFBPHZWAYAFU-GDBMZVCRSA-N 1 0 425.555 -0.563 20 0 IBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800928 1073551619 /nfs/dbraw/zinc/55/16/19/1073551619.db2.gz BYHFBPHZWAYAFU-GOEBONIOSA-N 1 0 425.555 -0.563 20 0 IBADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800929 1073551483 /nfs/dbraw/zinc/55/14/83/1073551483.db2.gz BYHFBPHZWAYAFU-HOCLYGCPSA-N 1 0 425.555 -0.563 20 0 IBADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001251800930 1073551567 /nfs/dbraw/zinc/55/15/67/1073551567.db2.gz BYHFBPHZWAYAFU-ZBFHGGJFSA-N 1 0 425.555 -0.563 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001251813724 1073552306 /nfs/dbraw/zinc/55/23/06/1073552306.db2.gz UNGLITFOVGYDML-CVEARBPZSA-N 1 0 427.571 -0.458 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001251813725 1073552171 /nfs/dbraw/zinc/55/21/71/1073552171.db2.gz UNGLITFOVGYDML-HOTGVXAUSA-N 1 0 427.571 -0.458 20 0 IBADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001251813726 1073552252 /nfs/dbraw/zinc/55/22/52/1073552252.db2.gz UNGLITFOVGYDML-HZPDHXFCSA-N 1 0 427.571 -0.458 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001251813727 1073552197 /nfs/dbraw/zinc/55/21/97/1073552197.db2.gz UNGLITFOVGYDML-JKSUJKDBSA-N 1 0 427.571 -0.458 20 0 IBADRO C[NH+]1CCC(CNC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)(N2CCOCC2)CC1 ZINC001251864679 1073553459 /nfs/dbraw/zinc/55/34/59/1073553459.db2.gz BRAQRUHCHLRGQG-IBGZPJMESA-N 1 0 430.571 -0.618 20 0 IBADRO C[NH+]1CCC(CNC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)(N2CCOCC2)CC1 ZINC001251864680 1073553371 /nfs/dbraw/zinc/55/33/71/1073553371.db2.gz BRAQRUHCHLRGQG-LJQANCHMSA-N 1 0 430.571 -0.618 20 0 IBADRO CN(C1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC001251866458 1073553299 /nfs/dbraw/zinc/55/32/99/1073553299.db2.gz SFYZVTYMLYWGFR-UHFFFAOYSA-N 1 0 431.603 -0.152 20 0 IBADRO CCN(CC)C(=O)CN1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001251867135 1073553267 /nfs/dbraw/zinc/55/32/67/1073553267.db2.gz YOIRUTRTZFHPDR-UHFFFAOYSA-N 1 0 438.617 -0.021 20 0 IBADRO C[NH+]1CCC(CNC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)(N2CCOCC2)CC1 ZINC001251867202 1073553395 /nfs/dbraw/zinc/55/33/95/1073553395.db2.gz YYHXESFQEIYLQL-JXFKEZNVSA-N 1 0 436.557 -0.055 20 0 IBADRO C[NH+]1CCC(CNC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)(N2CCOCC2)CC1 ZINC001251867203 1073553383 /nfs/dbraw/zinc/55/33/83/1073553383.db2.gz YYHXESFQEIYLQL-OXJNMPFZSA-N 1 0 436.557 -0.055 20 0 IBADRO C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)(N2CCOCC2)CC1 ZINC001251867204 1073553471 /nfs/dbraw/zinc/55/34/71/1073553471.db2.gz YYHXESFQEIYLQL-OXQOHEQNSA-N 1 0 436.557 -0.055 20 0 IBADRO C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)(N2CCOCC2)CC1 ZINC001251867205 1073553352 /nfs/dbraw/zinc/55/33/52/1073553352.db2.gz YYHXESFQEIYLQL-UZLBHIALSA-N 1 0 436.557 -0.055 20 0 IBADRO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)C[C@H]21 ZINC001251869356 1073553360 /nfs/dbraw/zinc/55/33/60/1073553360.db2.gz DIHRAAHWOHCJKL-BBWFWOEESA-N 1 0 430.571 -0.764 20 0 IBADRO C[C@H](O)C[NH2+]CCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC001251974951 1073554280 /nfs/dbraw/zinc/55/42/80/1073554280.db2.gz WSKGORAKIKESGD-OVWQWFNUSA-N 1 0 432.587 -0.168 20 0 IBADRO CC(=O)N[C@@H](CCCC[NH2+]C[C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001251975567 1073554521 /nfs/dbraw/zinc/55/45/21/1073554521.db2.gz WXWCNBKLRFNCOZ-DKIMLUQUSA-N 1 0 441.573 -0.751 20 0 IBADRO CC(=O)N[C@@H](CCCC[NH2+]C[C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)C ZINC001251978514 1073554443 /nfs/dbraw/zinc/55/44/43/1073554443.db2.gz WXWCNBKLRFNCOZ-LEUOFYLZSA-N 1 0 441.573 -0.751 20 0 IBADRO CCOC[C@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001252022945 1073555117 /nfs/dbraw/zinc/55/51/17/1073555117.db2.gz GBHAOOSYYQFSLV-LMMKCTJWSA-N 1 0 433.571 -0.641 20 0 IBADRO CCOC[C@@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001252022955 1073554835 /nfs/dbraw/zinc/55/48/35/1073554835.db2.gz GBHAOOSYYQFSLV-SCTDSRPQSA-N 1 0 433.571 -0.641 20 0 IBADRO CCOC[C@@H](O)C[NH2+]CCOCCOCCOCCOCCOCCOCCOC ZINC001252051203 1073554804 /nfs/dbraw/zinc/55/48/04/1073554804.db2.gz VWFOHLXRPVHFHW-FQEVSTJZSA-N 1 0 441.562 -0.281 20 0 IBADRO CCOC[C@H](O)C[NH2+]CCOCCOCCOCCOCCOCCOCCOC ZINC001252051207 1073555085 /nfs/dbraw/zinc/55/50/85/1073555085.db2.gz VWFOHLXRPVHFHW-HXUWFJFHSA-N 1 0 441.562 -0.281 20 0 IBADRO CC(C)CNC(=O)[C@@]12CCC3(CC[NH+](C[C@H](O)CO)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001252058354 1073555069 /nfs/dbraw/zinc/55/50/69/1073555069.db2.gz AGGKNJSDORVFLA-ABSDTBQOSA-N 1 0 431.599 -0.134 20 0 IBADRO CS(=O)(=O)N1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](C[C@H](O)CO)CC3 ZINC001252058758 1073554977 /nfs/dbraw/zinc/55/49/77/1073554977.db2.gz HMPSJJGXVHXCFX-ABSDTBQOSA-N 1 0 429.583 -0.284 20 0 IBADRO CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CC(=O)NCC(N)=O ZINC001252223197 1073556618 /nfs/dbraw/zinc/55/66/18/1073556618.db2.gz JOROMSZPJSTNCB-LSDHHAIUSA-N 1 0 430.452 -0.047 20 0 IBADRO C[NH+](C)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC001252323186 1073556988 /nfs/dbraw/zinc/55/69/88/1073556988.db2.gz BGCJTNZRPIYEMI-UHFFFAOYSA-N 1 0 445.567 -0.556 20 0 IBADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252404331 1073557633 /nfs/dbraw/zinc/55/76/33/1073557633.db2.gz UOPLGIWNVCPEBY-AEFFLSMTSA-N 1 0 428.489 -0.238 20 0 IBADRO NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252404339 1073557684 /nfs/dbraw/zinc/55/76/84/1073557684.db2.gz UOPLGIWNVCPEBY-WMZOPIPTSA-N 1 0 428.489 -0.238 20 0 IBADRO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC001252411259 1073557578 /nfs/dbraw/zinc/55/75/78/1073557578.db2.gz XIPRHKQWGUFNKN-UHFFFAOYSA-N 1 0 428.511 -0.240 20 0 IBADRO COC(=O)[C@@H](O)C[N@@H+]1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001252415466 1073558000 /nfs/dbraw/zinc/55/80/00/1073558000.db2.gz NJGUZTMVLFMKQF-FIKGOQFSSA-N 1 0 433.509 -0.612 20 0 IBADRO COC(=O)[C@H](O)C[N@@H+]1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001252415467 1073558208 /nfs/dbraw/zinc/55/82/08/1073558208.db2.gz NJGUZTMVLFMKQF-FVJLSDCUSA-N 1 0 433.509 -0.612 20 0 IBADRO COC(=O)[C@@H](O)C[NH2+]CCOCCOCCOCCOCCNC(=O)OC(C)(C)C ZINC001252440988 1073558025 /nfs/dbraw/zinc/55/80/25/1073558025.db2.gz WMZMSSSOKDFUTC-INIZCTEOSA-N 1 0 438.518 -0.299 20 0 IBADRO COC(=O)[C@H](O)C[NH2+]CCOCCOCCOCCOCCNC(=O)OC(C)(C)C ZINC001252440989 1073558377 /nfs/dbraw/zinc/55/83/77/1073558377.db2.gz WMZMSSSOKDFUTC-MRXNPFEDSA-N 1 0 438.518 -0.299 20 0 IBADRO CN(C)C(=O)CN1C[C@H]2CC[N@H+](C[C@@H](O)COCc3ccco3)CC[C@H]2S1(=O)=O ZINC001252634580 1073560689 /nfs/dbraw/zinc/56/06/89/1073560689.db2.gz AMPDNKWVIHQSRF-JFIYKMOQSA-N 1 0 429.539 -0.029 20 0 IBADRO CN(C)C(=O)CN1C[C@H]2CC[N@H+](C[C@H](O)COCc3ccco3)CC[C@H]2S1(=O)=O ZINC001252634607 1073560869 /nfs/dbraw/zinc/56/08/69/1073560869.db2.gz AMPDNKWVIHQSRF-SOLBZPMBSA-N 1 0 429.539 -0.029 20 0 IBADRO OCCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001252657178 1073561412 /nfs/dbraw/zinc/56/14/12/1073561412.db2.gz RBKJVJZRDORZQP-IBGZPJMESA-N 1 0 435.514 -0.178 20 0 IBADRO OCCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001252657179 1073561360 /nfs/dbraw/zinc/56/13/60/1073561360.db2.gz RBKJVJZRDORZQP-LJQANCHMSA-N 1 0 435.514 -0.178 20 0 IBADRO CC(C)OC[C@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001252674811 1073561470 /nfs/dbraw/zinc/56/14/70/1073561470.db2.gz BBNOQFWFDPWTAK-GGPKGHCWSA-N 1 0 447.598 -0.253 20 0 IBADRO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001252674812 1073562146 /nfs/dbraw/zinc/56/21/46/1073562146.db2.gz BBNOQFWFDPWTAK-NSHGMRRFSA-N 1 0 447.598 -0.253 20 0 IBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C[C@H](O)COC(C)C)C(N)=O ZINC001252699809 1073561992 /nfs/dbraw/zinc/56/19/92/1073561992.db2.gz MGNNZSKOKXOKNV-JYJNAYRXSA-N 1 0 434.603 -0.384 20 0 IBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C[C@@H](O)COC(C)C)C(N)=O ZINC001252699816 1073561881 /nfs/dbraw/zinc/56/18/81/1073561881.db2.gz MGNNZSKOKXOKNV-PMPSAXMXSA-N 1 0 434.603 -0.384 20 0 IBADRO COc1ccc(OC[C@H](O)C[NH2+][C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001252741738 1073562070 /nfs/dbraw/zinc/56/20/70/1073562070.db2.gz GBIJKZRNIYEDSK-MNEFBYGVSA-N 1 0 431.493 -0.165 20 0 IBADRO COc1ccc(OC[C@@H](O)C[NH2+][C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001252741739 1073562106 /nfs/dbraw/zinc/56/21/06/1073562106.db2.gz GBIJKZRNIYEDSK-SNRMKQJTSA-N 1 0 431.493 -0.165 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)COc1ccc(OC)cc1 ZINC001252741835 1073562056 /nfs/dbraw/zinc/56/20/56/1073562056.db2.gz HIPNCKBQBZZQLA-AJNGGQMLSA-N 1 0 425.482 -0.405 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(OC)cc1 ZINC001252741849 1073561898 /nfs/dbraw/zinc/56/18/98/1073561898.db2.gz HIPNCKBQBZZQLA-ZQDZILKHSA-N 1 0 425.482 -0.405 20 0 IBADRO COC(=O)[C@H](CCCC[NH2+]C[C@@H](O)COc1ccc(OC)cc1)NC(=O)CNC(C)=O ZINC001252744044 1073562179 /nfs/dbraw/zinc/56/21/79/1073562179.db2.gz CSTSWZJAKQZBIJ-APWZRJJASA-N 1 0 439.509 -0.011 20 0 IBADRO COC(=O)[C@H](CCCC[NH2+]C[C@H](O)COc1ccc(OC)cc1)NC(=O)CNC(C)=O ZINC001252744052 1073561941 /nfs/dbraw/zinc/56/19/41/1073561941.db2.gz CSTSWZJAKQZBIJ-LPHOPBHVSA-N 1 0 439.509 -0.011 20 0 IBADRO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc1 ZINC001252770334 1073562840 /nfs/dbraw/zinc/56/28/40/1073562840.db2.gz FELMPFTWQDQHNO-AEFFLSMTSA-N 1 0 434.537 -0.094 20 0 IBADRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc1 ZINC001252770335 1073562769 /nfs/dbraw/zinc/56/27/69/1073562769.db2.gz FELMPFTWQDQHNO-WMZOPIPTSA-N 1 0 434.537 -0.094 20 0 IBADRO COC[C@@H](O)C[NH2+][C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001252829237 1073562504 /nfs/dbraw/zinc/56/25/04/1073562504.db2.gz MBCMNUBCBXEQJC-ZPKKHLQPSA-N 1 0 449.460 -0.662 20 0 IBADRO COCCOCCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)COC ZINC001252831855 1073562928 /nfs/dbraw/zinc/56/29/28/1073562928.db2.gz FPQLNCBRTNZQTL-IBGZPJMESA-N 1 0 427.535 -0.671 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1OC ZINC001252914220 1073564130 /nfs/dbraw/zinc/56/41/30/1073564130.db2.gz MIJCFQHUEJESKI-AJNGGQMLSA-N 1 0 425.482 -0.405 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1OC ZINC001252914221 1073563984 /nfs/dbraw/zinc/56/39/84/1073563984.db2.gz MIJCFQHUEJESKI-ZQDZILKHSA-N 1 0 425.482 -0.405 20 0 IBADRO COc1ccccc1OC[C@H](O)C[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001252914226 1073563926 /nfs/dbraw/zinc/56/39/26/1073563926.db2.gz MNQNBOIPYSCDDG-IKGGRYGDSA-N 1 0 431.493 -0.165 20 0 IBADRO COc1ccccc1OC[C@@H](O)C[NH2+][C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001252914227 1073564077 /nfs/dbraw/zinc/56/40/77/1073564077.db2.gz MNQNBOIPYSCDDG-ULQDDVLXSA-N 1 0 431.493 -0.165 20 0 IBADRO COC(=O)[C@H](CCCC[NH2+]C[C@H](O)COc1ccccc1OC)NC(=O)CNC(C)=O ZINC001252915952 1073564176 /nfs/dbraw/zinc/56/41/76/1073564176.db2.gz LOSAHHIMIGMSKT-IRXDYDNUSA-N 1 0 439.509 -0.011 20 0 IBADRO COC(=O)[C@H](CCCC[NH2+]C[C@@H](O)COc1ccccc1OC)NC(=O)CNC(C)=O ZINC001252915960 1073564229 /nfs/dbraw/zinc/56/42/29/1073564229.db2.gz LOSAHHIMIGMSKT-SJORKVTESA-N 1 0 439.509 -0.011 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950787 1073564821 /nfs/dbraw/zinc/56/48/21/1073564821.db2.gz FFOSDESWSDWJJM-AWRGLXIESA-N 1 0 440.544 -0.213 20 0 IBADRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950788 1073564843 /nfs/dbraw/zinc/56/48/43/1073564843.db2.gz FFOSDESWSDWJJM-HFMPRLQTSA-N 1 0 440.544 -0.213 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252952165 1073564698 /nfs/dbraw/zinc/56/46/98/1073564698.db2.gz VNXMVHZLGYIRIR-ACTFIFLWSA-N 1 0 434.537 -0.216 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252952166 1073564916 /nfs/dbraw/zinc/56/49/16/1073564916.db2.gz VNXMVHZLGYIRIR-DOWNOZBLSA-N 1 0 434.537 -0.216 20 0 IBADRO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](CC3(O)CCOCC3)CC[C@@H]12 ZINC001252960004 1073564663 /nfs/dbraw/zinc/56/46/63/1073564663.db2.gz IAJQPOHKRYJOON-XLIONFOSSA-N 1 0 445.582 -0.497 20 0 IBADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]CC1(O)CCOCC1)C(N)=O ZINC001252977547 1073564880 /nfs/dbraw/zinc/56/48/80/1073564880.db2.gz YKZRBYDLHNRHOJ-GJZGRUSLSA-N 1 0 432.587 -0.628 20 0 IBADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC001253027723 1073565634 /nfs/dbraw/zinc/56/56/34/1073565634.db2.gz QIXDIOUTHZYKIQ-INIZCTEOSA-N 1 0 447.565 -0.077 20 0 IBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@H](O)COc1ccc(CCOC)cc1 ZINC001253070285 1073565571 /nfs/dbraw/zinc/56/55/71/1073565571.db2.gz BQXHDVGNRLIIHF-INIZCTEOSA-N 1 0 425.482 -1.000 20 0 IBADRO CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C[C@@H](O)COc1ccc(CCOC)cc1 ZINC001253070286 1073565688 /nfs/dbraw/zinc/56/56/88/1073565688.db2.gz BQXHDVGNRLIIHF-MRXNPFEDSA-N 1 0 425.482 -1.000 20 0 IBADRO COCCc1ccc(OC[C@@H](O)C[NH2+]CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1 ZINC001253071979 1073565450 /nfs/dbraw/zinc/56/54/50/1073565450.db2.gz DWTBZENQULKDHD-KRWDZBQOSA-N 1 0 434.493 -0.408 20 0 IBADRO COCCc1ccc(OC[C@H](O)C[NH2+]CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1 ZINC001253071980 1073565508 /nfs/dbraw/zinc/56/55/08/1073565508.db2.gz DWTBZENQULKDHD-QGZVFWFLSA-N 1 0 434.493 -0.408 20 0 IBADRO Cc1cn([C@H]2C[C@H]([NH2+]C[C@H](O)COc3ccc(CCO)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001253167559 1073566590 /nfs/dbraw/zinc/56/65/90/1073566590.db2.gz QFCGOJYEPQRYKP-GDAAHCPNSA-N 1 0 435.477 -0.530 20 0 IBADRO Cc1cn([C@H]2C[C@H]([NH2+]C[C@@H](O)COc3ccc(CCO)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001253167560 1073566697 /nfs/dbraw/zinc/56/66/97/1073566697.db2.gz QFCGOJYEPQRYKP-QXCFHYIPSA-N 1 0 435.477 -0.530 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001253172986 1073566721 /nfs/dbraw/zinc/56/67/21/1073566721.db2.gz PSEMSRVMQPYCLS-JKQORVJESA-N 1 0 439.509 -0.878 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253172987 1073566539 /nfs/dbraw/zinc/56/65/39/1073566539.db2.gz PSEMSRVMQPYCLS-QBYUYEEZSA-N 1 0 439.509 -0.878 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253174283 1073566619 /nfs/dbraw/zinc/56/66/19/1073566619.db2.gz VRNHUGARNFCTLL-HOJAQTOUSA-N 1 0 445.520 -0.639 20 0 IBADRO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001253174284 1073566837 /nfs/dbraw/zinc/56/68/37/1073566837.db2.gz VRNHUGARNFCTLL-IHPCNDPISA-N 1 0 445.520 -0.639 20 0 IBADRO CC[NH+](CC)C[C@H](O)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CSC)[C@@H](O)[C@H]1O ZINC001253177670 1073566897 /nfs/dbraw/zinc/56/68/97/1073566897.db2.gz UNPACRSFRDJKTA-AJKMGBEJSA-N 1 0 426.543 -0.077 20 0 IBADRO CC[NH+](CC)C[C@@H](O)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CSC)[C@@H](O)[C@H]1O ZINC001253177671 1073566523 /nfs/dbraw/zinc/56/65/23/1073566523.db2.gz UNPACRSFRDJKTA-URQYDQELSA-N 1 0 426.543 -0.077 20 0 IBADRO CC[NH+](CC)C[C@@H](O)CN1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001253182970 1073566775 /nfs/dbraw/zinc/56/67/75/1073566775.db2.gz WHOKCKNJRUFHQD-FGTMMUONSA-N 1 0 439.582 -0.288 20 0 IBADRO CC[NH+](CC)C[C@H](O)CN1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001253182971 1073566748 /nfs/dbraw/zinc/56/67/48/1073566748.db2.gz WHOKCKNJRUFHQD-OKZBNKHCSA-N 1 0 439.582 -0.288 20 0 IBADRO CC[NH+](CC)C[C@H](O)CN1CCCn2c(=O)cc(CNC(=O)c3nccn3C)nc2C1 ZINC001253184969 1073566569 /nfs/dbraw/zinc/56/65/69/1073566569.db2.gz BKEXYXHVBLTQPV-KRWDZBQOSA-N 1 0 431.541 -0.185 20 0 IBADRO CC[NH+](CC)C[C@@H](O)CN1CCCn2c(=O)cc(CNC(=O)c3nccn3C)nc2C1 ZINC001253184970 1073566799 /nfs/dbraw/zinc/56/67/99/1073566799.db2.gz BKEXYXHVBLTQPV-QGZVFWFLSA-N 1 0 431.541 -0.185 20 0 IBADRO CC[NH+](CC)C[C@H](O)CN1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001253185247 1073566830 /nfs/dbraw/zinc/56/68/30/1073566830.db2.gz PNJHEZHOUWPORG-FXAWDEMLSA-N 1 0 430.615 -0.105 20 0 IBADRO CC[NH+](CC)C[C@H](O)CN1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001253185248 1073566880 /nfs/dbraw/zinc/56/68/80/1073566880.db2.gz PNJHEZHOUWPORG-PXNSSMCTSA-N 1 0 430.615 -0.105 20 0 IBADRO CC[NH+](CC)C[C@@H](O)CN1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001253185249 1073566502 /nfs/dbraw/zinc/56/65/02/1073566502.db2.gz PNJHEZHOUWPORG-XLIONFOSSA-N 1 0 430.615 -0.105 20 0 IBADRO CC[NH+](CC)C[C@@H](O)CN1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001253185250 1073566904 /nfs/dbraw/zinc/56/69/04/1073566904.db2.gz PNJHEZHOUWPORG-YLJYHZDGSA-N 1 0 430.615 -0.105 20 0 IBADRO CC[NH+](CC)C[C@H](O)CNCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001253215539 1073567278 /nfs/dbraw/zinc/56/72/78/1073567278.db2.gz YQMQLALNPDAQEL-IKGGRYGDSA-N 1 0 447.646 -0.467 20 0 IBADRO CC[NH+](CC)C[C@@H](O)CNCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001253215552 1073567207 /nfs/dbraw/zinc/56/72/07/1073567207.db2.gz YQMQLALNPDAQEL-ULQDDVLXSA-N 1 0 447.646 -0.467 20 0 IBADRO COCCNC(=O)C1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001253287356 1073567490 /nfs/dbraw/zinc/56/74/90/1073567490.db2.gz MYHQDPMZIDNUNC-UHFFFAOYSA-N 1 0 426.539 -0.533 20 0 IBADRO COCC(=O)NC1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001253303935 1073567780 /nfs/dbraw/zinc/56/77/80/1073567780.db2.gz LDYXJKOGGGQBRV-UHFFFAOYSA-N 1 0 426.539 -0.390 20 0 IBADRO CC(C)(C)OC(=O)N1CCC(O)(C[C@H](O)C[NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001253335093 1073568585 /nfs/dbraw/zinc/56/85/85/1073568585.db2.gz ISXQZRNDGMVTBZ-INIZCTEOSA-N 1 0 435.587 -0.181 20 0 IBADRO CC(C)(C)OC(=O)N1CCC(O)(C[C@@H](O)C[NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001253335094 1073568766 /nfs/dbraw/zinc/56/87/66/1073568766.db2.gz ISXQZRNDGMVTBZ-MRXNPFEDSA-N 1 0 435.587 -0.181 20 0 IBADRO O=C(C[NH2+]C1(CO)CCOCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001253337556 1073568530 /nfs/dbraw/zinc/56/85/30/1073568530.db2.gz BIZBHBLDTFDQPO-UHFFFAOYSA-N 1 0 427.523 -0.545 20 0 IBADRO CSC[C@H]1O[C@@H](n2cnc3c2ncnc3NC[C@H](O)C[NH2+]C(C)(C)C)[C@H](O)[C@@H]1O ZINC001253386006 1073568644 /nfs/dbraw/zinc/56/86/44/1073568644.db2.gz ZERMXDYKBFEMFJ-YRGUDCOPSA-N 1 0 426.543 -0.031 20 0 IBADRO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC3)C1=O ZINC001253388688 1073568720 /nfs/dbraw/zinc/56/87/20/1073568720.db2.gz MALQTUZGJTUIGS-OXQOHEQNSA-N 1 0 430.615 -0.059 20 0 IBADRO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC3)C1=O ZINC001253388697 1073568671 /nfs/dbraw/zinc/56/86/71/1073568671.db2.gz MALQTUZGJTUIGS-UZLBHIALSA-N 1 0 430.615 -0.059 20 0 IBADRO CC(C)(C)[NH2+]C[C@@H](O)CN1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001253389167 1073568693 /nfs/dbraw/zinc/56/86/93/1073568693.db2.gz VVUJLSJFBUKUGW-IXDOHACOSA-N 1 0 439.582 -0.242 20 0 IBADRO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(C[C@H](O)C[NH2+]C(C)(C)C)CCC2 ZINC001253391570 1073568604 /nfs/dbraw/zinc/56/86/04/1073568604.db2.gz RSZKBWARTAGZKM-MRXNPFEDSA-N 1 0 431.541 -0.139 20 0 IBADRO CN(C1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1)S(C)(=O)=O ZINC001253403373 1073568554 /nfs/dbraw/zinc/56/85/54/1073568554.db2.gz FZUCCJBCZQVIPJ-UHFFFAOYSA-N 1 0 446.595 -0.261 20 0 IBADRO C[C@@H]1O[C@@H](OCC[NH2+]C[C@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001253437570 1073569216 /nfs/dbraw/zinc/56/92/16/1073569216.db2.gz BZVDOKUNGHNNQU-NKISHHHSSA-N 1 0 441.521 -0.065 20 0 IBADRO C[C@@H]1O[C@@H](OCC[NH2+]C[C@@H](O)COC(=O)c2ccc(C(C)(C)C)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001253437576 1073569227 /nfs/dbraw/zinc/56/92/27/1073569227.db2.gz BZVDOKUNGHNNQU-QYIOPIAMSA-N 1 0 441.521 -0.065 20 0 IBADRO Cc1cn([C@H]2C[C@H]([NH2+]C[C@@](C)(O)C(=O)OCc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001253658865 1073570795 /nfs/dbraw/zinc/57/07/95/1073570795.db2.gz FMWIXUITUDNJDP-BIZBXSGISA-N 1 0 433.461 -0.010 20 0 IBADRO Cc1cn([C@H]2C[C@H]([NH2+]C[C@](C)(O)C(=O)OCc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001253658866 1073570877 /nfs/dbraw/zinc/57/08/77/1073570877.db2.gz FMWIXUITUDNJDP-WCLQXYBISA-N 1 0 433.461 -0.010 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001253664588 1073570607 /nfs/dbraw/zinc/57/06/07/1073570607.db2.gz ZVZNHGNMKKPBNA-BOLFOIPXSA-N 1 0 437.493 -0.359 20 0 IBADRO COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001253664589 1073570944 /nfs/dbraw/zinc/57/09/44/1073570944.db2.gz ZVZNHGNMKKPBNA-ZYKFEASCSA-N 1 0 437.493 -0.359 20 0 IBADRO C[C@](O)(C[NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)OCc1ccccc1 ZINC001253667288 1073570821 /nfs/dbraw/zinc/57/08/21/1073570821.db2.gz QOQZLARUTODXSY-AVRDEDQJSA-N 1 0 429.473 -0.011 20 0 IBADRO C[C@@](O)(C[NH2+]CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)OCc1ccccc1 ZINC001253667289 1073570664 /nfs/dbraw/zinc/57/06/64/1073570664.db2.gz 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435.485 -0.373 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001255592724 1073596858 /nfs/dbraw/zinc/59/68/58/1073596858.db2.gz GQKVGEKFIRIDAE-JZLXNPJKSA-N 1 0 435.485 -0.373 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001255594717 1073597281 /nfs/dbraw/zinc/59/72/81/1073597281.db2.gz SVSSFHFENBMTLW-PVAVHDDUSA-N 1 0 436.509 -0.135 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)C1 ZINC001255594718 1073597353 /nfs/dbraw/zinc/59/73/53/1073597353.db2.gz SVSSFHFENBMTLW-XIRDDKMYSA-N 1 0 436.509 -0.135 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001255595546 1073597274 /nfs/dbraw/zinc/59/72/74/1073597274.db2.gz PUFOEEPDZQGPAU-WUHRBBMRSA-N 1 0 435.485 -0.036 20 0 IBADRO CC(C)(C)OC(=O)N1CC[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001255595549 1073597495 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CCOC(=O)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001256031462 1073600489 /nfs/dbraw/zinc/60/04/89/1073600489.db2.gz IQYDLPXENHOUKL-YYIAUSFCSA-N 1 0 429.539 -0.189 20 0 IBADRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(c2ncccn2)CC1)C(N)=O ZINC001256056582 1073600731 /nfs/dbraw/zinc/60/07/31/1073600731.db2.gz PRMSYOIQMVMCFO-CCKFTAQKSA-N 1 0 442.520 -0.297 20 0 IBADRO NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256057152 1073600792 /nfs/dbraw/zinc/60/07/92/1073600792.db2.gz ZKFTYRJZTVWBHQ-ROUUACIJSA-N 1 0 428.493 -0.686 20 0 IBADRO C[C@H](NC1CC[NH+](C2CC2)CC1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001256073314 1073600575 /nfs/dbraw/zinc/60/05/75/1073600575.db2.gz QRIUIKVUCHQJSL-LIRRHRJNSA-N 1 0 431.537 -0.374 20 0 IBADRO COC(=O)CC1([NH2+]CC(=O)N2CCN(c3cnccn3)CC2)CCS(=O)(=O)CC1 ZINC001256084998 1073600685 /nfs/dbraw/zinc/60/06/85/1073600685.db2.gz QCFKBOKIGJLULB-UHFFFAOYSA-N 1 0 425.511 -0.775 20 0 IBADRO 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CZACHOYJTJHWMQ-UHFFFAOYSA-N 1 0 446.595 -0.377 20 0 IBADRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001259624327 1073631255 /nfs/dbraw/zinc/63/12/55/1073631255.db2.gz NTKGOEGBCVRURC-UHFFFAOYSA-N 1 0 446.595 -0.425 20 0 IBADRO C[NH+]1CCN(C2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)CC1 ZINC001259626815 1073632154 /nfs/dbraw/zinc/63/21/54/1073632154.db2.gz FGLNJRRZPWJKTC-UHFFFAOYSA-N 1 0 444.579 -0.672 20 0 IBADRO CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001259627162 1073632718 /nfs/dbraw/zinc/63/27/18/1073632718.db2.gz XNJBHTPJOXVGHJ-UHFFFAOYSA-N 1 0 446.595 -0.425 20 0 IBADRO C[N@@H+]1CCCN(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001259629510 1073633283 /nfs/dbraw/zinc/63/32/83/1073633283.db2.gz UWOBEKBJTPWLHO-UHFFFAOYSA-N 1 0 446.595 -0.377 20 0 IBADRO C[NH+]1CCC(CO)(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001259631279 1073634399 /nfs/dbraw/zinc/63/43/99/1073634399.db2.gz JYEZZIRMVAPIOC-UHFFFAOYSA-N 1 0 433.552 -0.558 20 0 IBADRO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001260107814 1073640952 /nfs/dbraw/zinc/64/09/52/1073640952.db2.gz OZUUCXARIKWIQI-UHFFFAOYSA-N 1 0 426.587 -0.104 20 0 IBADRO C[NH+](C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)c1nc3nc(Cl)ccn3n1)CCC2 ZINC001260170210 1073642896 /nfs/dbraw/zinc/64/28/96/1073642896.db2.gz ZZVUOBOBUNLSCX-UHFFFAOYSA-N 1 0 438.901 -0.009 20 0 IBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O ZINC001270449871 1072054646 /nfs/dbraw/zinc/05/46/46/1072054646.db2.gz JXVFEMCCNRULSU-UHFFFAOYSA-N 1 0 427.546 -0.955 20 0 IBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1nn(C)cc1I ZINC001270451376 1072057404 /nfs/dbraw/zinc/05/74/04/1072057404.db2.gz YBKFMXQZWOUJKB-UHFFFAOYSA-N 1 0 449.293 -0.113 20 0 IBADRO C[NH+]1CCC(CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C)(N2CCOCC2)CC1 ZINC001275942012 1074487617 /nfs/dbraw/zinc/48/76/17/1074487617.db2.gz BOCYFSUFCJZCNW-UHFFFAOYSA-N 1 0 426.558 -0.005 20 0 IBADRO CN1CCn2nc(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)cc2S1(=O)=O ZINC001275942787 1074487629 /nfs/dbraw/zinc/48/76/29/1074487629.db2.gz LIMTWQYEEIWRNX-UHFFFAOYSA-N 1 0 426.543 -0.956 20 0 IBADRO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC001278180377 1073482799 /nfs/dbraw/zinc/48/27/99/1073482799.db2.gz ULBKSPMHTFHPCK-UHFFFAOYSA-N 1 0 441.554 -0.889 20 0 IBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001286937475 1073683552 /nfs/dbraw/zinc/68/35/52/1073683552.db2.gz QZHDDYQFWIIPKM-GZBFAFLISA-N 1 0 431.563 -0.820 20 0 IBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001286937476 1073683621 /nfs/dbraw/zinc/68/36/21/1073683621.db2.gz QZHDDYQFWIIPKM-KCQAQPDRSA-N 1 0 431.563 -0.820 20 0 IBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001286937477 1073683659 /nfs/dbraw/zinc/68/36/59/1073683659.db2.gz QZHDDYQFWIIPKM-UMVBOHGHSA-N 1 0 431.563 -0.820 20 0 IBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001286937478 1073683540 /nfs/dbraw/zinc/68/35/40/1073683540.db2.gz QZHDDYQFWIIPKM-VNHYZAJKSA-N 1 0 431.563 -0.820 20 0 IBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001286942252 1073684318 /nfs/dbraw/zinc/68/43/18/1073684318.db2.gz IQSMFPJHGMBMPR-MSOLQXFVSA-N 1 0 449.556 -0.583 20 0 IBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001286942253 1073684168 /nfs/dbraw/zinc/68/41/68/1073684168.db2.gz IQSMFPJHGMBMPR-QZTJIDSGSA-N 1 0 449.556 -0.583 20 0 IBADRO CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001286942254 1073684324 /nfs/dbraw/zinc/68/43/24/1073684324.db2.gz IQSMFPJHGMBMPR-ROUUACIJSA-N 1 0 449.556 -0.583 20 0 IBADRO CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001286942255 1073684187 /nfs/dbraw/zinc/68/41/87/1073684187.db2.gz IQSMFPJHGMBMPR-ZWKOTPCHSA-N 1 0 449.556 -0.583 20 0 IBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001286945226 1073685480 /nfs/dbraw/zinc/68/54/80/1073685480.db2.gz WIERLLYQJSSQKJ-CEXWTWQISA-N 1 0 436.557 -0.030 20 0 IBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001286945228 1073685301 /nfs/dbraw/zinc/68/53/01/1073685301.db2.gz WIERLLYQJSSQKJ-GBESFXJTSA-N 1 0 436.557 -0.030 20 0 IBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001286945229 1073685251 /nfs/dbraw/zinc/68/52/51/1073685251.db2.gz WIERLLYQJSSQKJ-GUDVDZBRSA-N 1 0 436.557 -0.030 20 0 IBADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001286945230 1073685427 /nfs/dbraw/zinc/68/54/27/1073685427.db2.gz WIERLLYQJSSQKJ-IPMKNSEASA-N 1 0 436.557 -0.030 20 0 IBADRO CC(C)(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287035066 1073687293 /nfs/dbraw/zinc/68/72/93/1073687293.db2.gz HBZJBJQTAPTKMD-DLBZAZTESA-N 1 0 447.584 -0.140 20 0 IBADRO CC(C)(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287035067 1073687266 /nfs/dbraw/zinc/68/72/66/1073687266.db2.gz HBZJBJQTAPTKMD-IAGOWNOFSA-N 1 0 447.584 -0.140 20 0 IBADRO CC(C)(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287035068 1073687277 /nfs/dbraw/zinc/68/72/77/1073687277.db2.gz HBZJBJQTAPTKMD-IRXDYDNUSA-N 1 0 447.584 -0.140 20 0 IBADRO CC(C)(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287035069 1073687220 /nfs/dbraw/zinc/68/72/20/1073687220.db2.gz HBZJBJQTAPTKMD-SJORKVTESA-N 1 0 447.584 -0.140 20 0 IBADRO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287223257 1073690545 /nfs/dbraw/zinc/69/05/45/1073690545.db2.gz LEOHDMKHSJCITP-GOSISDBHSA-N 1 0 446.600 -0.178 20 0 IBADRO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287223259 1073690504 /nfs/dbraw/zinc/69/05/04/1073690504.db2.gz LEOHDMKHSJCITP-SFHVURJKSA-N 1 0 446.600 -0.178 20 0 IBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287487339 1073691559 /nfs/dbraw/zinc/69/15/59/1073691559.db2.gz RHMOXEBXLVJBAS-DLBZAZTESA-N 1 0 433.557 -0.530 20 0 IBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287487340 1073691617 /nfs/dbraw/zinc/69/16/17/1073691617.db2.gz RHMOXEBXLVJBAS-IAGOWNOFSA-N 1 0 433.557 -0.530 20 0 IBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287487341 1073691609 /nfs/dbraw/zinc/69/16/09/1073691609.db2.gz RHMOXEBXLVJBAS-IRXDYDNUSA-N 1 0 433.557 -0.530 20 0 IBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287487342 1073691576 /nfs/dbraw/zinc/69/15/76/1073691576.db2.gz RHMOXEBXLVJBAS-SJORKVTESA-N 1 0 433.557 -0.530 20 0 IBADRO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001287769247 1073692679 /nfs/dbraw/zinc/69/26/79/1073692679.db2.gz NLHWHRBREHIUIH-HNNXBMFYSA-N 1 0 427.575 -0.101 20 0 IBADRO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001287769249 1073692728 /nfs/dbraw/zinc/69/27/28/1073692728.db2.gz NLHWHRBREHIUIH-OAHLLOKOSA-N 1 0 427.575 -0.101 20 0 IBADRO CC(C)[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001287918635 1073693293 /nfs/dbraw/zinc/69/32/93/1073693293.db2.gz BTDFSBAHWJEXNA-HNNXBMFYSA-N 1 0 443.574 -0.770 20 0 IBADRO CC(C)[N@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001287918637 1073693303 /nfs/dbraw/zinc/69/33/03/1073693303.db2.gz BTDFSBAHWJEXNA-OAHLLOKOSA-N 1 0 443.574 -0.770 20 0 IBADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001287964300 1073693270 /nfs/dbraw/zinc/69/32/70/1073693270.db2.gz DPVSCCURXCZLMQ-CVEARBPZSA-N 1 0 446.556 -0.505 20 0 IBADRO CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001287964301 1073693248 /nfs/dbraw/zinc/69/32/48/1073693248.db2.gz DPVSCCURXCZLMQ-HOTGVXAUSA-N 1 0 446.556 -0.505 20 0 IBADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001287964302 1073693279 /nfs/dbraw/zinc/69/32/79/1073693279.db2.gz DPVSCCURXCZLMQ-HZPDHXFCSA-N 1 0 446.556 -0.505 20 0 IBADRO CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)C(C)C ZINC001287964303 1073693753 /nfs/dbraw/zinc/69/37/53/1073693753.db2.gz DPVSCCURXCZLMQ-JKSUJKDBSA-N 1 0 446.556 -0.505 20 0 IBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)CC1 ZINC001287975956 1073693914 /nfs/dbraw/zinc/69/39/14/1073693914.db2.gz ILHZNXRPWMUHBO-HNNXBMFYSA-N 1 0 440.570 -0.648 20 0 IBADRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)C2)CC1 ZINC001287975957 1073693836 /nfs/dbraw/zinc/69/38/36/1073693836.db2.gz ILHZNXRPWMUHBO-OAHLLOKOSA-N 1 0 440.570 -0.648 20 0 IBADRO CC(C)[NH+]1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001287980851 1073693809 /nfs/dbraw/zinc/69/38/09/1073693809.db2.gz XSBGJWRWACAARY-INIZCTEOSA-N 1 0 433.557 -0.053 20 0 IBADRO CC(C)[NH+]1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001287980852 1073693933 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LUSRILGMCBRZTD-GJZGRUSLSA-N 1 0 427.575 -0.066 20 0 IBADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001288599990 1073705666 /nfs/dbraw/zinc/70/56/66/1073705666.db2.gz WCMIEHZWSSMAAZ-INIZCTEOSA-N 1 0 432.573 -0.135 20 0 IBADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001288599991 1073706255 /nfs/dbraw/zinc/70/62/55/1073706255.db2.gz WCMIEHZWSSMAAZ-MRXNPFEDSA-N 1 0 432.573 -0.135 20 0 IBADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+](C)C ZINC001288627230 1073706164 /nfs/dbraw/zinc/70/61/64/1073706164.db2.gz OVFQPYYEITZDHN-AWEZNQCLSA-N 1 0 442.528 -0.310 20 0 IBADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+](C)C ZINC001288627231 1073706205 /nfs/dbraw/zinc/70/62/05/1073706205.db2.gz OVFQPYYEITZDHN-CQSZACIVSA-N 1 0 442.528 -0.310 20 0 IBADRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288627766 1073706189 /nfs/dbraw/zinc/70/61/89/1073706189.db2.gz PRFZEUUPNOLOFG-INIZCTEOSA-N 1 0 444.540 -0.269 20 0 IBADRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001288627767 1073706261 /nfs/dbraw/zinc/70/62/61/1073706261.db2.gz PRFZEUUPNOLOFG-MRXNPFEDSA-N 1 0 444.540 -0.269 20 0 IBADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001288628238 1073706232 /nfs/dbraw/zinc/70/62/32/1073706232.db2.gz KZKOPMPVDYCMTK-KRWDZBQOSA-N 1 0 443.556 -0.334 20 0 IBADRO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1)[NH+](C)C ZINC001288628239 1073706272 /nfs/dbraw/zinc/70/62/72/1073706272.db2.gz KZKOPMPVDYCMTK-QGZVFWFLSA-N 1 0 443.556 -0.334 20 0 IBADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001288639337 1073706137 /nfs/dbraw/zinc/70/61/37/1073706137.db2.gz NHLHHIPCLBRSCI-DZGCQCFKSA-N 1 0 425.559 -0.207 20 0 IBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001288639338 1073706197 /nfs/dbraw/zinc/70/61/97/1073706197.db2.gz NHLHHIPCLBRSCI-HIFRSBDPSA-N 1 0 425.559 -0.207 20 0 IBADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001288639339 1073706180 /nfs/dbraw/zinc/70/61/80/1073706180.db2.gz NHLHHIPCLBRSCI-UKRRQHHQSA-N 1 0 425.559 -0.207 20 0 IBADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)[N@H+](C)C1CC1 ZINC001288639340 1073706264 /nfs/dbraw/zinc/70/62/64/1073706264.db2.gz NHLHHIPCLBRSCI-ZFWWWQNUSA-N 1 0 425.559 -0.207 20 0 IBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1)[NH+](C)C ZINC001288652954 1073706154 /nfs/dbraw/zinc/70/61/54/1073706154.db2.gz TVBGTUQFMSKQSM-GDBMZVCRSA-N 1 0 438.558 -0.013 20 0 IBADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1)[NH+](C)C ZINC001288652955 1073706553 /nfs/dbraw/zinc/70/65/53/1073706553.db2.gz TVBGTUQFMSKQSM-GOEBONIOSA-N 1 0 438.558 -0.013 20 0 IBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1)[NH+](C)C ZINC001288652956 1073706749 /nfs/dbraw/zinc/70/67/49/1073706749.db2.gz TVBGTUQFMSKQSM-HOCLYGCPSA-N 1 0 438.558 -0.013 20 0 IBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1)[NH+](C)C ZINC001288652957 1073706706 /nfs/dbraw/zinc/70/67/06/1073706706.db2.gz TVBGTUQFMSKQSM-ZBFHGGJFSA-N 1 0 438.558 -0.013 20 0 IBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001288653129 1073706756 /nfs/dbraw/zinc/70/67/56/1073706756.db2.gz UMMPUTQXILXWFS-ILXRZTDVSA-N 1 0 443.574 -0.772 20 0 IBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001288653131 1073706673 /nfs/dbraw/zinc/70/66/73/1073706673.db2.gz UMMPUTQXILXWFS-KFWWJZLASA-N 1 0 443.574 -0.772 20 0 IBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001288653133 1073706762 /nfs/dbraw/zinc/70/67/62/1073706762.db2.gz UMMPUTQXILXWFS-QLFBSQMISA-N 1 0 443.574 -0.772 20 0 IBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001288653135 1073706605 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ASPYKCARHXSYMR-FZKQIMNGSA-N 1 0 445.590 -0.694 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288774981 1073708271 /nfs/dbraw/zinc/70/82/71/1073708271.db2.gz ASPYKCARHXSYMR-SCLBCKFNSA-N 1 0 445.590 -0.694 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288774982 1073708328 /nfs/dbraw/zinc/70/83/28/1073708328.db2.gz ASPYKCARHXSYMR-UGSOOPFHSA-N 1 0 445.590 -0.694 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCNS(C)(=O)=O ZINC001288801967 1073710504 /nfs/dbraw/zinc/71/05/04/1073710504.db2.gz BAASJYCQBIBDRL-HZSPNIEDSA-N 1 0 449.603 -0.890 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCNS(C)(=O)=O ZINC001288801972 1073710430 /nfs/dbraw/zinc/71/04/30/1073710430.db2.gz BAASJYCQBIBDRL-IHRRRGAJSA-N 1 0 449.603 -0.890 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCNS(C)(=O)=O ZINC001288801976 1073710565 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1073711154 /nfs/dbraw/zinc/71/11/54/1073711154.db2.gz ROQHQWCCVTYDPK-SUNYJGFJSA-N 1 0 430.575 -0.041 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCS(C)(=O)=O ZINC001288806541 1073711843 /nfs/dbraw/zinc/71/18/43/1073711843.db2.gz MXDVWWLZRAVLNN-HZSPNIEDSA-N 1 0 434.588 -0.394 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCS(C)(=O)=O ZINC001288806549 1073711780 /nfs/dbraw/zinc/71/17/80/1073711780.db2.gz MXDVWWLZRAVLNN-IHRRRGAJSA-N 1 0 434.588 -0.394 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCS(C)(=O)=O ZINC001288806550 1073711810 /nfs/dbraw/zinc/71/18/10/1073711810.db2.gz MXDVWWLZRAVLNN-MELADBBJSA-N 1 0 434.588 -0.394 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCS(C)(=O)=O ZINC001288806551 1073711753 /nfs/dbraw/zinc/71/17/53/1073711753.db2.gz MXDVWWLZRAVLNN-RDBSUJKOSA-N 1 0 434.588 -0.394 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001288808651 1073712522 /nfs/dbraw/zinc/71/25/22/1073712522.db2.gz YBAJBYMVGMWQGE-BARDWOONSA-N 1 0 425.559 -0.160 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001288808652 1073712548 /nfs/dbraw/zinc/71/25/48/1073712548.db2.gz YBAJBYMVGMWQGE-BYNSBNAKSA-N 1 0 425.559 -0.160 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001288808653 1073712259 /nfs/dbraw/zinc/71/22/59/1073712259.db2.gz YBAJBYMVGMWQGE-LXTVHRRPSA-N 1 0 425.559 -0.160 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H]1CCC(=O)N1 ZINC001288808654 1073712443 /nfs/dbraw/zinc/71/24/43/1073712443.db2.gz YBAJBYMVGMWQGE-XQLPTFJDSA-N 1 0 425.559 -0.160 20 0 IBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001288809035 1073712323 /nfs/dbraw/zinc/71/23/23/1073712323.db2.gz PYKXQEWQAOPTSR-LUKYLMHMSA-N 1 0 443.618 -0.005 20 0 IBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC001288809036 1073712354 /nfs/dbraw/zinc/71/23/54/1073712354.db2.gz PYKXQEWQAOPTSR-QAETUUGQSA-N 1 0 443.618 -0.005 20 0 IBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001288809037 1073712491 /nfs/dbraw/zinc/71/24/91/1073712491.db2.gz PYKXQEWQAOPTSR-VVLHAWIVSA-N 1 0 443.618 -0.005 20 0 IBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC001288809038 1073712565 /nfs/dbraw/zinc/71/25/65/1073712565.db2.gz PYKXQEWQAOPTSR-YVSFHVDLSA-N 1 0 443.618 -0.005 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[NH+]1CCCC1 ZINC001288829914 1073713505 /nfs/dbraw/zinc/71/35/05/1073713505.db2.gz MBPQCWGWPLQZDG-AWEZNQCLSA-N 1 0 443.574 -0.545 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[NH+]1CCCC1 ZINC001288829915 1073713522 /nfs/dbraw/zinc/71/35/22/1073713522.db2.gz MBPQCWGWPLQZDG-CQSZACIVSA-N 1 0 443.574 -0.545 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCS(C)(=O)=O ZINC001288846332 1073715070 /nfs/dbraw/zinc/71/50/70/1073715070.db2.gz VXVXFUXBSFDFIR-CABCVRRESA-N 1 0 448.615 -0.003 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCS(C)(=O)=O ZINC001288846333 1073715135 /nfs/dbraw/zinc/71/51/35/1073715135.db2.gz VXVXFUXBSFDFIR-GJZGRUSLSA-N 1 0 448.615 -0.003 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCS(C)(=O)=O ZINC001288846334 1073714875 /nfs/dbraw/zinc/71/48/75/1073714875.db2.gz VXVXFUXBSFDFIR-HUUCEWRRSA-N 1 0 448.615 -0.003 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCS(C)(=O)=O ZINC001288846335 1073714972 /nfs/dbraw/zinc/71/49/72/1073714972.db2.gz VXVXFUXBSFDFIR-LSDHHAIUSA-N 1 0 448.615 -0.003 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001288855452 1073714985 /nfs/dbraw/zinc/71/49/85/1073714985.db2.gz FWDLFCGWZZDFNK-CVEARBPZSA-N 1 0 430.575 -0.038 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001288855453 1073715149 /nfs/dbraw/zinc/71/51/49/1073715149.db2.gz FWDLFCGWZZDFNK-HOTGVXAUSA-N 1 0 430.575 -0.038 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001288855456 1073715028 /nfs/dbraw/zinc/71/50/28/1073715028.db2.gz FWDLFCGWZZDFNK-HZPDHXFCSA-N 1 0 430.575 -0.038 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCOCC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001288855457 1073715057 /nfs/dbraw/zinc/71/50/57/1073715057.db2.gz FWDLFCGWZZDFNK-JKSUJKDBSA-N 1 0 430.575 -0.038 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1nncn1C ZINC001288859401 1073715593 /nfs/dbraw/zinc/71/55/93/1073715593.db2.gz KMAQOKQXUPWFAK-CYBMUJFWSA-N 1 0 425.563 -0.014 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1nncn1C ZINC001288859402 1073715458 /nfs/dbraw/zinc/71/54/58/1073715458.db2.gz KMAQOKQXUPWFAK-ZDUSSCGKSA-N 1 0 425.563 -0.014 20 0 IBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001288861850 1073716038 /nfs/dbraw/zinc/71/60/38/1073716038.db2.gz FLGJOGUWBRNQTD-CABCVRRESA-N 1 0 437.574 -0.045 20 0 IBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001288861851 1073715878 /nfs/dbraw/zinc/71/58/78/1073715878.db2.gz FLGJOGUWBRNQTD-GJZGRUSLSA-N 1 0 437.574 -0.045 20 0 IBADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1)[NH+](C)C ZINC001288861852 1073716079 /nfs/dbraw/zinc/71/60/79/1073716079.db2.gz FLGJOGUWBRNQTD-HUUCEWRRSA-N 1 0 437.574 -0.045 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccnn3)CC2)n1C[C@H](C)[NH+](C)C ZINC001288861853 1073716082 /nfs/dbraw/zinc/71/60/82/1073716082.db2.gz FLGJOGUWBRNQTD-LSDHHAIUSA-N 1 0 437.574 -0.045 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H]1COCCO1 ZINC001288864216 1073716572 /nfs/dbraw/zinc/71/65/72/1073716572.db2.gz UZFLLRVKXZHNFO-GDBMZVCRSA-N 1 0 428.559 -0.022 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H]1COCCO1 ZINC001288864217 1073716550 /nfs/dbraw/zinc/71/65/50/1073716550.db2.gz UZFLLRVKXZHNFO-GOEBONIOSA-N 1 0 428.559 -0.022 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCCC1 ZINC001288867678 1073716425 /nfs/dbraw/zinc/71/64/25/1073716425.db2.gz AZEZXFAQYSGLQY-AWEZNQCLSA-N 1 0 449.603 -0.934 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCCC1 ZINC001288867681 1073716486 /nfs/dbraw/zinc/71/64/86/1073716486.db2.gz AZEZXFAQYSGLQY-CQSZACIVSA-N 1 0 449.603 -0.934 20 0 IBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)[NH+](C)C ZINC001288867707 1073716542 /nfs/dbraw/zinc/71/65/42/1073716542.db2.gz BCOUMWBMPSQOCX-HZSPNIEDSA-N 1 0 428.563 -0.606 20 0 IBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)[NH+](C)C ZINC001288867720 1073716386 /nfs/dbraw/zinc/71/63/86/1073716386.db2.gz BCOUMWBMPSQOCX-IHRRRGAJSA-N 1 0 428.563 -0.606 20 0 IBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)[NH+](C)C ZINC001288867726 1073716533 /nfs/dbraw/zinc/71/65/33/1073716533.db2.gz BCOUMWBMPSQOCX-MELADBBJSA-N 1 0 428.563 -0.606 20 0 IBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)[NH+](C)C ZINC001288867731 1073716438 /nfs/dbraw/zinc/71/64/38/1073716438.db2.gz BCOUMWBMPSQOCX-RDBSUJKOSA-N 1 0 428.563 -0.606 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(=O)NCC(F)F ZINC001288867982 1073717092 /nfs/dbraw/zinc/71/70/92/1073717092.db2.gz CIIQRBOLHAONKZ-GFCCVEGCSA-N 1 0 449.528 -0.198 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(=O)NCC(F)F ZINC001288867990 1073716949 /nfs/dbraw/zinc/71/69/49/1073716949.db2.gz CIIQRBOLHAONKZ-LBPRGKRZSA-N 1 0 449.528 -0.198 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001288868877 1073717065 /nfs/dbraw/zinc/71/70/65/1073717065.db2.gz DNDCBFWGRWRJHQ-DZGCQCFKSA-N 1 0 425.559 -0.159 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001288868882 1073717111 /nfs/dbraw/zinc/71/71/11/1073717111.db2.gz DNDCBFWGRWRJHQ-HIFRSBDPSA-N 1 0 425.559 -0.159 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001288868884 1073717080 /nfs/dbraw/zinc/71/70/80/1073717080.db2.gz DNDCBFWGRWRJHQ-UKRRQHHQSA-N 1 0 425.559 -0.159 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001288868887 1073717033 /nfs/dbraw/zinc/71/70/33/1073717033.db2.gz DNDCBFWGRWRJHQ-ZFWWWQNUSA-N 1 0 425.559 -0.159 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001288869733 1073717471 /nfs/dbraw/zinc/71/74/71/1073717471.db2.gz JCWLNJDZLUKCEG-KBPBESRZSA-N 1 0 445.546 -0.893 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001288869734 1073717457 /nfs/dbraw/zinc/71/74/57/1073717457.db2.gz JCWLNJDZLUKCEG-KGLIPLIRSA-N 1 0 445.546 -0.893 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001288869735 1073717369 /nfs/dbraw/zinc/71/73/69/1073717369.db2.gz JCWLNJDZLUKCEG-UONOGXRCSA-N 1 0 445.546 -0.893 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001288869736 1073717901 /nfs/dbraw/zinc/71/79/01/1073717901.db2.gz JCWLNJDZLUKCEG-ZIAGYGMSSA-N 1 0 445.546 -0.893 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001288870361 1073717787 /nfs/dbraw/zinc/71/77/87/1073717787.db2.gz OXMNZGMRGJOKAO-DLBZAZTESA-N 1 0 439.586 -0.329 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001288870362 1073718523 /nfs/dbraw/zinc/71/85/23/1073718523.db2.gz OXMNZGMRGJOKAO-IAGOWNOFSA-N 1 0 439.586 -0.329 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001288870363 1073718599 /nfs/dbraw/zinc/71/85/99/1073718599.db2.gz OXMNZGMRGJOKAO-IRXDYDNUSA-N 1 0 439.586 -0.329 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CC[N@H+]1CC=CCC1 ZINC001288870364 1073718421 /nfs/dbraw/zinc/71/84/21/1073718421.db2.gz OXMNZGMRGJOKAO-SJORKVTESA-N 1 0 439.586 -0.329 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001288871877 1073719156 /nfs/dbraw/zinc/71/91/56/1073719156.db2.gz WBKRJVFQOUVSIY-CHWSQXEVSA-N 1 0 425.515 -0.280 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001288871881 1073719112 /nfs/dbraw/zinc/71/91/12/1073719112.db2.gz WBKRJVFQOUVSIY-OLZOCXBDSA-N 1 0 425.515 -0.280 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001288871883 1073719143 /nfs/dbraw/zinc/71/91/43/1073719143.db2.gz WBKRJVFQOUVSIY-QWHCGFSZSA-N 1 0 425.515 -0.280 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001288871885 1073718979 /nfs/dbraw/zinc/71/89/79/1073718979.db2.gz WBKRJVFQOUVSIY-STQMWFEESA-N 1 0 425.515 -0.280 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001288872165 1073719033 /nfs/dbraw/zinc/71/90/33/1073719033.db2.gz SPCFSWMJLOUJNW-CABCVRRESA-N 1 0 443.574 -0.723 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001288872166 1073719180 /nfs/dbraw/zinc/71/91/80/1073719180.db2.gz SPCFSWMJLOUJNW-GJZGRUSLSA-N 1 0 443.574 -0.723 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001288872167 1073719191 /nfs/dbraw/zinc/71/91/91/1073719191.db2.gz SPCFSWMJLOUJNW-HUUCEWRRSA-N 1 0 443.574 -0.723 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001288872168 1073719172 /nfs/dbraw/zinc/71/91/72/1073719172.db2.gz SPCFSWMJLOUJNW-LSDHHAIUSA-N 1 0 443.574 -0.723 20 0 IBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](Cn2cccn2)C1)[NH+](C)C ZINC001288873511 1073719541 /nfs/dbraw/zinc/71/95/41/1073719541.db2.gz AMXKWMZUWLJDAX-HRCADAONSA-N 1 0 440.574 -0.060 20 0 IBADRO 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C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001293744604 1073760354 /nfs/dbraw/zinc/76/03/54/1073760354.db2.gz JGKDAZCHFJPJJQ-KSSFIOAISA-N 1 0 425.555 -0.465 20 0 IBADRO C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC001293744605 1073760207 /nfs/dbraw/zinc/76/02/07/1073760207.db2.gz JGKDAZCHFJPJJQ-RDTXWAMCSA-N 1 0 425.555 -0.465 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1C[N@H+](C)CCN1C ZINC001293744921 1073760422 /nfs/dbraw/zinc/76/04/22/1073760422.db2.gz LWDMXSNKQIZKDK-IECFSIQFSA-N 1 0 428.599 -0.153 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001293744922 1073760273 /nfs/dbraw/zinc/76/02/73/1073760273.db2.gz LWDMXSNKQIZKDK-JCECYMMASA-N 1 0 428.599 -0.153 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C[N@H+](C)CCN1C ZINC001293744923 1073760789 /nfs/dbraw/zinc/76/07/89/1073760789.db2.gz LWDMXSNKQIZKDK-OBVSXPTNSA-N 1 0 428.599 -0.153 20 0 IBADRO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001293744924 1073760641 /nfs/dbraw/zinc/76/06/41/1073760641.db2.gz LWDMXSNKQIZKDK-PNKHAZJDSA-N 1 0 428.599 -0.153 20 0 IBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001294100867 1073762914 /nfs/dbraw/zinc/76/29/14/1073762914.db2.gz HQYULALGHCRVSP-KRWDZBQOSA-N 1 0 435.500 -0.284 20 0 IBADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001294100868 1073763416 /nfs/dbraw/zinc/76/34/16/1073763416.db2.gz HQYULALGHCRVSP-QGZVFWFLSA-N 1 0 435.500 -0.284 20 0 IBADRO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001294146979 1073763505 /nfs/dbraw/zinc/76/35/05/1073763505.db2.gz PWEHUTZLYPDBGO-MRXNPFEDSA-N 1 0 434.545 -0.591 20 0 IBADRO CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001295111232 1073770048 /nfs/dbraw/zinc/77/00/48/1073770048.db2.gz UMRFCPFBIJCZQX-CVEARBPZSA-N 1 0 430.575 -0.086 20 0 IBADRO CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001295111233 1073769998 /nfs/dbraw/zinc/76/99/98/1073769998.db2.gz UMRFCPFBIJCZQX-HOTGVXAUSA-N 1 0 430.575 -0.086 20 0 IBADRO CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001295111234 1073770141 /nfs/dbraw/zinc/77/01/41/1073770141.db2.gz UMRFCPFBIJCZQX-HZPDHXFCSA-N 1 0 430.575 -0.086 20 0 IBADRO CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001295111235 1073770062 /nfs/dbraw/zinc/77/00/62/1073770062.db2.gz UMRFCPFBIJCZQX-JKSUJKDBSA-N 1 0 430.575 -0.086 20 0 IBADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001295351069 1073771685 /nfs/dbraw/zinc/77/16/85/1073771685.db2.gz MVVWBTRNNZLNIG-HRAATJIYSA-N 1 0 448.572 -0.120 20 0 IBADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001295351070 1073771674 /nfs/dbraw/zinc/77/16/74/1073771674.db2.gz MVVWBTRNNZLNIG-IERDGZPVSA-N 1 0 448.572 -0.120 20 0 IBADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001295351071 1073771751 /nfs/dbraw/zinc/77/17/51/1073771751.db2.gz MVVWBTRNNZLNIG-IIBYNOLFSA-N 1 0 448.572 -0.120 20 0 IBADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001295351072 1073771847 /nfs/dbraw/zinc/77/18/47/1073771847.db2.gz MVVWBTRNNZLNIG-KKSFZXQISA-N 1 0 448.572 -0.120 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001295385220 1073771771 /nfs/dbraw/zinc/77/17/71/1073771771.db2.gz SFHRXYOOORLIMI-MSOLQXFVSA-N 1 0 447.511 -0.507 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001295385221 1073771699 /nfs/dbraw/zinc/77/16/99/1073771699.db2.gz SFHRXYOOORLIMI-QZTJIDSGSA-N 1 0 447.511 -0.507 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001295385222 1073771819 /nfs/dbraw/zinc/77/18/19/1073771819.db2.gz SFHRXYOOORLIMI-ROUUACIJSA-N 1 0 447.511 -0.507 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001295385223 1073772464 /nfs/dbraw/zinc/77/24/64/1073772464.db2.gz SFHRXYOOORLIMI-ZWKOTPCHSA-N 1 0 447.511 -0.507 20 0 IBADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001295385888 1073772275 /nfs/dbraw/zinc/77/22/75/1073772275.db2.gz XQPMUADANTWCBY-CYBMUJFWSA-N 1 0 440.522 -0.270 20 0 IBADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001295385891 1073772225 /nfs/dbraw/zinc/77/22/25/1073772225.db2.gz XQPMUADANTWCBY-ZDUSSCGKSA-N 1 0 440.522 -0.270 20 0 IBADRO COCCn1cc(N2C[C@H](C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)CC2=O)cn1 ZINC001295386171 1073772351 /nfs/dbraw/zinc/77/23/51/1073772351.db2.gz ZUSROSBFXBEDSG-AEFFLSMTSA-N 1 0 432.525 -0.353 20 0 IBADRO COCCn1cc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)CC2=O)cn1 ZINC001295386173 1073772512 /nfs/dbraw/zinc/77/25/12/1073772512.db2.gz ZUSROSBFXBEDSG-FUHWJXTLSA-N 1 0 432.525 -0.353 20 0 IBADRO COCCn1cc(N2C[C@H](C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)CC2=O)cn1 ZINC001295386175 1073772407 /nfs/dbraw/zinc/77/24/07/1073772407.db2.gz ZUSROSBFXBEDSG-SJLPKXTDSA-N 1 0 432.525 -0.353 20 0 IBADRO COCCn1cc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)CC2=O)cn1 ZINC001295386177 1073772297 /nfs/dbraw/zinc/77/22/97/1073772297.db2.gz ZUSROSBFXBEDSG-WMZOPIPTSA-N 1 0 432.525 -0.353 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CCNS(C)(=O)=O)CC1 ZINC001295479392 1073772332 /nfs/dbraw/zinc/77/23/32/1073772332.db2.gz FAUQFOGBKPXOFS-UHFFFAOYSA-N 1 0 429.591 -0.059 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC)CC1 ZINC001295481298 1073772368 /nfs/dbraw/zinc/77/23/68/1073772368.db2.gz UHVZIXOBMCVNRL-UHFFFAOYSA-N 1 0 436.561 -0.457 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)NC)CC1 ZINC001295482985 1073772389 /nfs/dbraw/zinc/77/23/89/1073772389.db2.gz AECQEYFPRKICES-UHFFFAOYSA-N 1 0 427.575 -0.305 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C)CC1 ZINC001295483382 1073772424 /nfs/dbraw/zinc/77/24/24/1073772424.db2.gz CYQNTJVHNFMICO-UHFFFAOYSA-N 1 0 431.545 -0.243 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N(C)C)CC1 ZINC001295483830 1073772974 /nfs/dbraw/zinc/77/29/74/1073772974.db2.gz IYLLLJSXOUTWDQ-INIZCTEOSA-N 1 0 448.572 -0.302 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N(C)C)CC1 ZINC001295483831 1073773059 /nfs/dbraw/zinc/77/30/59/1073773059.db2.gz IYLLLJSXOUTWDQ-MRXNPFEDSA-N 1 0 448.572 -0.302 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnnn2C)CC1 ZINC001295484274 1073772900 /nfs/dbraw/zinc/77/29/00/1073772900.db2.gz KPNYOSLFSQHHLE-INIZCTEOSA-N 1 0 431.545 -0.051 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnnn2C)CC1 ZINC001295484275 1073772922 /nfs/dbraw/zinc/77/29/22/1073772922.db2.gz KPNYOSLFSQHHLE-MRXNPFEDSA-N 1 0 431.545 -0.051 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncn(C)n2)CC1 ZINC001295485541 1073773017 /nfs/dbraw/zinc/77/30/17/1073773017.db2.gz XWWIGVPFTJGJJI-HNNXBMFYSA-N 1 0 444.544 -0.604 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ncn(C)n2)CC1 ZINC001295485544 1073773134 /nfs/dbraw/zinc/77/31/34/1073773134.db2.gz XWWIGVPFTJGJJI-OAHLLOKOSA-N 1 0 444.544 -0.604 20 0 IBADRO NS(=O)(=O)c1ccc(NCC(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC001295495838 1073773085 /nfs/dbraw/zinc/77/30/85/1073773085.db2.gz DUEFTMKLRLJORP-UHFFFAOYSA-N 1 0 430.502 -0.429 20 0 IBADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001295532389 1073772884 /nfs/dbraw/zinc/77/28/84/1073772884.db2.gz FXBUIAUQDONEFA-HNNXBMFYSA-N 1 0 427.513 -0.386 20 0 IBADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001295532390 1073773117 /nfs/dbraw/zinc/77/31/17/1073773117.db2.gz FXBUIAUQDONEFA-OAHLLOKOSA-N 1 0 427.513 -0.386 20 0 IBADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001295545023 1073773734 /nfs/dbraw/zinc/77/37/34/1073773734.db2.gz OTLKTBAQXFBSSV-CVEARBPZSA-N 1 0 434.545 -0.199 20 0 IBADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001295545024 1073773773 /nfs/dbraw/zinc/77/37/73/1073773773.db2.gz OTLKTBAQXFBSSV-HOTGVXAUSA-N 1 0 434.545 -0.199 20 0 IBADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001295545025 1073773747 /nfs/dbraw/zinc/77/37/47/1073773747.db2.gz OTLKTBAQXFBSSV-HZPDHXFCSA-N 1 0 434.545 -0.199 20 0 IBADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001295545026 1073773635 /nfs/dbraw/zinc/77/36/35/1073773635.db2.gz OTLKTBAQXFBSSV-JKSUJKDBSA-N 1 0 434.545 -0.199 20 0 IBADRO CC[NH+](CC)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001295552249 1073773596 /nfs/dbraw/zinc/77/35/96/1073773596.db2.gz ZVKKPLAIBFVBAZ-DLBZAZTESA-N 1 0 449.556 -0.713 20 0 IBADRO 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CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296196960 1073781609 /nfs/dbraw/zinc/78/16/09/1073781609.db2.gz XBKYRMBFOQUMBM-BBWFWOEESA-N 1 0 432.573 -0.186 20 0 IBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296196961 1073781862 /nfs/dbraw/zinc/78/18/62/1073781862.db2.gz XBKYRMBFOQUMBM-GVDBMIGSSA-N 1 0 432.573 -0.186 20 0 IBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296196962 1073781897 /nfs/dbraw/zinc/78/18/97/1073781897.db2.gz XBKYRMBFOQUMBM-ULQDDVLXSA-N 1 0 432.573 -0.186 20 0 IBADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296196963 1073781660 /nfs/dbraw/zinc/78/16/60/1073781660.db2.gz XBKYRMBFOQUMBM-YESZJQIVSA-N 1 0 432.573 -0.186 20 0 IBADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001296202203 1073781820 /nfs/dbraw/zinc/78/18/20/1073781820.db2.gz AZNHZWMMYSBHHS-UHFFFAOYSA-N 1 0 432.573 -0.132 20 0 IBADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296203009 1073781692 /nfs/dbraw/zinc/78/16/92/1073781692.db2.gz KGUFQWDJWWVGDI-KRWDZBQOSA-N 1 0 432.573 -0.075 20 0 IBADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296203011 1073781787 /nfs/dbraw/zinc/78/17/87/1073781787.db2.gz KGUFQWDJWWVGDI-QGZVFWFLSA-N 1 0 432.573 -0.075 20 0 IBADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC001296203090 1073781727 /nfs/dbraw/zinc/78/17/27/1073781727.db2.gz HURPZYUNZVUHIQ-UHFFFAOYSA-N 1 0 448.616 -0.405 20 0 IBADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296203339 1073781800 /nfs/dbraw/zinc/78/18/00/1073781800.db2.gz LFFIIXZINQOTNJ-KRWDZBQOSA-N 1 0 447.588 -0.342 20 0 IBADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296203340 1073781882 /nfs/dbraw/zinc/78/18/82/1073781882.db2.gz LFFIIXZINQOTNJ-QGZVFWFLSA-N 1 0 447.588 -0.342 20 0 IBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)c1 ZINC001296209077 1073781711 /nfs/dbraw/zinc/78/17/11/1073781711.db2.gz ATLHWYKSDNTYHW-DOTOQJQBSA-N 1 0 434.522 -0.105 20 0 IBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)c1 ZINC001296209078 1073781774 /nfs/dbraw/zinc/78/17/74/1073781774.db2.gz ATLHWYKSDNTYHW-NVXWUHKLSA-N 1 0 434.522 -0.105 20 0 IBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)c1 ZINC001296209079 1073781844 /nfs/dbraw/zinc/78/18/44/1073781844.db2.gz ATLHWYKSDNTYHW-RDJZCZTQSA-N 1 0 434.522 -0.105 20 0 IBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)c1 ZINC001296209080 1073781591 /nfs/dbraw/zinc/78/15/91/1073781591.db2.gz ATLHWYKSDNTYHW-WBVHZDCISA-N 1 0 434.522 -0.105 20 0 IBADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001296212041 1073781748 /nfs/dbraw/zinc/78/17/48/1073781748.db2.gz SIWBXADIPTYFNW-UHFFFAOYSA-N 1 0 432.573 -0.246 20 0 IBADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001296335788 1073786037 /nfs/dbraw/zinc/78/60/37/1073786037.db2.gz HSWCIMCLTIUDKW-BEFAXECRSA-N 1 0 437.570 -0.132 20 0 IBADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001296335789 1073786091 /nfs/dbraw/zinc/78/60/91/1073786091.db2.gz HSWCIMCLTIUDKW-DNVCBOLYSA-N 1 0 437.570 -0.132 20 0 IBADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001296335790 1073786552 /nfs/dbraw/zinc/78/65/52/1073786552.db2.gz HSWCIMCLTIUDKW-HNAYVOBHSA-N 1 0 437.570 -0.132 20 0 IBADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001296335791 1073786572 /nfs/dbraw/zinc/78/65/72/1073786572.db2.gz HSWCIMCLTIUDKW-KXBFYZLASA-N 1 0 437.570 -0.132 20 0 IBADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001296341861 1073787085 /nfs/dbraw/zinc/78/70/85/1073787085.db2.gz WHARHTRAHMQKFH-FCEWJHQRSA-N 1 0 442.586 -0.243 20 0 IBADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001296341862 1073787151 /nfs/dbraw/zinc/78/71/51/1073787151.db2.gz WHARHTRAHMQKFH-FRQCXROJSA-N 1 0 442.586 -0.243 20 0 IBADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001296341863 1073787699 /nfs/dbraw/zinc/78/76/99/1073787699.db2.gz WHARHTRAHMQKFH-GPMSIDNRSA-N 1 0 442.586 -0.243 20 0 IBADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001296341864 1073787636 /nfs/dbraw/zinc/78/76/36/1073787636.db2.gz WHARHTRAHMQKFH-MDZRGWNJSA-N 1 0 442.586 -0.243 20 0 IBADRO CCO[C@@]1(c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001296558334 1073788833 /nfs/dbraw/zinc/78/88/33/1073788833.db2.gz FSYSHMHJUWRQGM-MOPGFXCFSA-N 1 0 445.586 -0.132 20 0 IBADRO CCO[C@@]1(c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001296558337 1073788807 /nfs/dbraw/zinc/78/88/07/1073788807.db2.gz FSYSHMHJUWRQGM-OALUTQOASA-N 1 0 445.586 -0.132 20 0 IBADRO CCO[C@]1(c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001296558339 1073788723 /nfs/dbraw/zinc/78/87/23/1073788723.db2.gz FSYSHMHJUWRQGM-RBUKOAKNSA-N 1 0 445.586 -0.132 20 0 IBADRO CCO[C@]1(c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001296558341 1073788790 /nfs/dbraw/zinc/78/87/90/1073788790.db2.gz FSYSHMHJUWRQGM-RTBURBONSA-N 1 0 445.586 -0.132 20 0 IBADRO CCO[C@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001296585808 1073789256 /nfs/dbraw/zinc/78/92/56/1073789256.db2.gz QFNUEEBXUASQIA-LEWJYISDSA-N 1 0 436.557 -0.041 20 0 IBADRO CCO[C@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001296585809 1073789330 /nfs/dbraw/zinc/78/93/30/1073789330.db2.gz QFNUEEBXUASQIA-NHCUHLMSSA-N 1 0 436.557 -0.041 20 0 IBADRO CCO[C@@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001296585810 1073789215 /nfs/dbraw/zinc/78/92/15/1073789215.db2.gz QFNUEEBXUASQIA-RTWAWAEBSA-N 1 0 436.557 -0.041 20 0 IBADRO CCO[C@@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001296585811 1073789374 /nfs/dbraw/zinc/78/93/74/1073789374.db2.gz QFNUEEBXUASQIA-SFTDATJTSA-N 1 0 436.557 -0.041 20 0 IBADRO CCO[C@@]1(c2nnc(N3CCNC(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCOC1 ZINC001296660835 1073790341 /nfs/dbraw/zinc/79/03/41/1073790341.db2.gz GSALCJNQFLZUNG-NRFANRHFSA-N 1 0 435.573 -0.108 20 0 IBADRO CCO[C@]1(c2nnc(N3CCNC(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCOC1 ZINC001296660837 1073790276 /nfs/dbraw/zinc/79/02/76/1073790276.db2.gz GSALCJNQFLZUNG-OAQYLSRUSA-N 1 0 435.573 -0.108 20 0 IBADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001297024095 1073794094 /nfs/dbraw/zinc/79/40/94/1073794094.db2.gz OJICBWVWOMAQJM-UHFFFAOYSA-N 1 0 441.573 -0.212 20 0 IBADRO CCOCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001297096113 1073794757 /nfs/dbraw/zinc/79/47/57/1073794757.db2.gz KHBBKVQEMIWRPP-JLMWRMLUSA-N 1 0 449.600 -0.130 20 0 IBADRO CCOCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001297096114 1073794560 /nfs/dbraw/zinc/79/45/60/1073794560.db2.gz KHBBKVQEMIWRPP-KPLVRAHFSA-N 1 0 449.600 -0.130 20 0 IBADRO CCOCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001297096115 1073794836 /nfs/dbraw/zinc/79/48/36/1073794836.db2.gz KHBBKVQEMIWRPP-LQBOVUBWSA-N 1 0 449.600 -0.130 20 0 IBADRO CCOCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001297096116 1073794713 /nfs/dbraw/zinc/79/47/13/1073794713.db2.gz KHBBKVQEMIWRPP-LRXVAGHRSA-N 1 0 449.600 -0.130 20 0 IBADRO CCOCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001297119419 1073795505 /nfs/dbraw/zinc/79/55/05/1073795505.db2.gz ORIQRZFLGPKDEK-NRFANRHFSA-N 1 0 436.557 -0.044 20 0 IBADRO CCOCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001297119420 1073795374 /nfs/dbraw/zinc/79/53/74/1073795374.db2.gz ORIQRZFLGPKDEK-OAQYLSRUSA-N 1 0 436.557 -0.044 20 0 IBADRO CCOCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCS(=O)(=O)NC ZINC001297152918 1073795288 /nfs/dbraw/zinc/79/52/88/1073795288.db2.gz FYQYEPALHYERRF-UHFFFAOYSA-N 1 0 430.575 -0.088 20 0 IBADRO CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCS(=O)(=O)N(C)C ZINC001297165012 1073795336 /nfs/dbraw/zinc/79/53/36/1073795336.db2.gz MZQGVQCXHNCJCW-KRWDZBQOSA-N 1 0 443.618 -0.078 20 0 IBADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCS(=O)(=O)N(C)C ZINC001297165013 1073795401 /nfs/dbraw/zinc/79/54/01/1073795401.db2.gz MZQGVQCXHNCJCW-QGZVFWFLSA-N 1 0 443.618 -0.078 20 0 IBADRO CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC[NH+]1CCCC1 ZINC001297260734 1073796460 /nfs/dbraw/zinc/79/64/60/1073796460.db2.gz BKHYAUHWZAMFNI-UHFFFAOYSA-N 1 0 435.573 -0.109 20 0 IBADRO CCOCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001297293653 1073797497 /nfs/dbraw/zinc/79/74/97/1073797497.db2.gz RSABUCCZAXEKPQ-NRFANRHFSA-N 1 0 435.573 -0.374 20 0 IBADRO CCOCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 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1073812342 /nfs/dbraw/zinc/81/23/42/1073812342.db2.gz KNIULJUJXTWRHG-XHSDSOJGSA-N 1 0 446.556 -0.517 20 0 IBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001297954851 1073812378 /nfs/dbraw/zinc/81/23/78/1073812378.db2.gz PCLYIUURZULMHY-DOTOQJQBSA-N 1 0 443.556 -0.067 20 0 IBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001297954853 1073812149 /nfs/dbraw/zinc/81/21/49/1073812149.db2.gz PCLYIUURZULMHY-NVXWUHKLSA-N 1 0 443.556 -0.067 20 0 IBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001297954855 1073812083 /nfs/dbraw/zinc/81/20/83/1073812083.db2.gz PCLYIUURZULMHY-RDJZCZTQSA-N 1 0 443.556 -0.067 20 0 IBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001297954857 1073812453 /nfs/dbraw/zinc/81/24/53/1073812453.db2.gz PCLYIUURZULMHY-WBVHZDCISA-N 1 0 443.556 -0.067 20 0 IBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 ZINC001297955471 1073812418 /nfs/dbraw/zinc/81/24/18/1073812418.db2.gz SRJULBBEKGGHAK-CVEARBPZSA-N 1 0 446.556 -0.550 20 0 IBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 ZINC001297955472 1073812192 /nfs/dbraw/zinc/81/21/92/1073812192.db2.gz SRJULBBEKGGHAK-HOTGVXAUSA-N 1 0 446.556 -0.550 20 0 IBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 ZINC001297955473 1073812221 /nfs/dbraw/zinc/81/22/21/1073812221.db2.gz SRJULBBEKGGHAK-HZPDHXFCSA-N 1 0 446.556 -0.550 20 0 IBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 ZINC001297955474 1073812268 /nfs/dbraw/zinc/81/22/68/1073812268.db2.gz SRJULBBEKGGHAK-JKSUJKDBSA-N 1 0 446.556 -0.550 20 0 IBADRO CC(=O)NCC(=O)NCC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001297970030 1073812294 /nfs/dbraw/zinc/81/22/94/1073812294.db2.gz OPHXOKQZDTYWCD-UHFFFAOYSA-N 1 0 431.537 -0.274 20 0 IBADRO CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001297995128 1073813896 /nfs/dbraw/zinc/81/38/96/1073813896.db2.gz KSMMNFKXWGIWHU-UHFFFAOYSA-N 1 0 446.556 -0.653 20 0 IBADRO CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001297998604 1073813773 /nfs/dbraw/zinc/81/37/73/1073813773.db2.gz IJXSXBCDHBWRLT-INIZCTEOSA-N 1 0 429.529 -0.490 20 0 IBADRO CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001297998605 1073814029 /nfs/dbraw/zinc/81/40/29/1073814029.db2.gz IJXSXBCDHBWRLT-MRXNPFEDSA-N 1 0 429.529 -0.490 20 0 IBADRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@H](C)[N@H+]1CCO ZINC001298009798 1073815437 /nfs/dbraw/zinc/81/54/37/1073815437.db2.gz FHESFQQXVSKGKO-OKILXGFUSA-N 1 0 433.552 -0.718 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001298014701 1073815631 /nfs/dbraw/zinc/81/56/31/1073815631.db2.gz CEEUERQTFNSYPV-MOPGFXCFSA-N 1 0 449.600 -0.161 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001298014702 1073816158 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GFRBLHNDVCGPBY-CQSZACIVSA-N 1 0 441.558 -0.969 20 0 IBADRO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CCOCC1 ZINC001298047557 1073816750 /nfs/dbraw/zinc/81/67/50/1073816750.db2.gz LRRPPRBUDLYWOA-HNNXBMFYSA-N 1 0 440.570 -0.383 20 0 IBADRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CCOCC1 ZINC001298047558 1073816698 /nfs/dbraw/zinc/81/66/98/1073816698.db2.gz LRRPPRBUDLYWOA-OAHLLOKOSA-N 1 0 440.570 -0.383 20 0 IBADRO C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCS(=O)(=O)CC2)CCOCC1 ZINC001298050520 1073817390 /nfs/dbraw/zinc/81/73/90/1073817390.db2.gz OKVHYYWWQKCQME-UHFFFAOYSA-N 1 0 440.570 -0.254 20 0 IBADRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001298080041 1073817114 /nfs/dbraw/zinc/81/71/14/1073817114.db2.gz VEQYRCVBVFREBP-KRWDZBQOSA-N 1 0 432.573 -0.219 20 0 IBADRO CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001298080042 1073817526 /nfs/dbraw/zinc/81/75/26/1073817526.db2.gz VEQYRCVBVFREBP-QGZVFWFLSA-N 1 0 432.573 -0.219 20 0 IBADRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001298083523 1073817416 /nfs/dbraw/zinc/81/74/16/1073817416.db2.gz JFMGVWZYSOQRNC-JZXOWHBKSA-N 1 0 429.514 -0.087 20 0 IBADRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001298083524 1073817188 /nfs/dbraw/zinc/81/71/88/1073817188.db2.gz JFMGVWZYSOQRNC-NUJGCVRESA-N 1 0 429.514 -0.087 20 0 IBADRO Cn1cc(-c2nnc(N3CCC4(CC3)NC(=O)N(C)C4=O)n2CCOCC[NH+](C)C)cn1 ZINC001298086792 1073817320 /nfs/dbraw/zinc/81/73/20/1073817320.db2.gz FXFIQGPYMKBLRB-UHFFFAOYSA-N 1 0 445.528 -0.223 20 0 IBADRO C[NH+](C)CCOCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001298087577 1073817260 /nfs/dbraw/zinc/81/72/60/1073817260.db2.gz NAHRRJSITQYTNV-HNNXBMFYSA-N 1 0 445.499 -0.191 20 0 IBADRO C[NH+](C)CCOCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001298087580 1073817232 /nfs/dbraw/zinc/81/72/32/1073817232.db2.gz NAHRRJSITQYTNV-OAHLLOKOSA-N 1 0 445.499 -0.191 20 0 IBADRO Cn1cc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCOCC[NH+](C)C)cn1 ZINC001298088003 1073817174 /nfs/dbraw/zinc/81/71/74/1073817174.db2.gz RZBVKYDSLBTCRA-UHFFFAOYSA-N 1 0 440.574 -0.225 20 0 IBADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001298091800 1073817249 /nfs/dbraw/zinc/81/72/49/1073817249.db2.gz BILHMZQSBYWNKQ-SJORKVTESA-N 1 0 433.557 -0.059 20 0 IBADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298095913 1073817764 /nfs/dbraw/zinc/81/77/64/1073817764.db2.gz IYOYLDIIGWTEDK-HNNXBMFYSA-N 1 0 428.559 -0.179 20 0 IBADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001298095914 1073817750 /nfs/dbraw/zinc/81/77/50/1073817750.db2.gz IYOYLDIIGWTEDK-OAHLLOKOSA-N 1 0 428.559 -0.179 20 0 IBADRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001298095954 1073817864 /nfs/dbraw/zinc/81/78/64/1073817864.db2.gz JWOCJGMMVHBOPB-UHFFFAOYSA-N 1 0 438.558 -0.169 20 0 IBADRO CN1C(=O)NC2(CCN(c3nnc(-c4cnccn4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001298096383 1073817826 /nfs/dbraw/zinc/81/78/26/1073817826.db2.gz OHOJCNMZDGYTQH-UHFFFAOYSA-N 1 0 443.512 -0.166 20 0 IBADRO CN1C(=O)NC2(CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001298096736 1073817698 /nfs/dbraw/zinc/81/76/98/1073817698.db2.gz PCQOAHVACHRHFO-HNNXBMFYSA-N 1 0 435.529 -0.119 20 0 IBADRO CN1C(=O)NC2(CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)CC2)C1=O ZINC001298096739 1073817888 /nfs/dbraw/zinc/81/78/88/1073817888.db2.gz PCQOAHVACHRHFO-OAHLLOKOSA-N 1 0 435.529 -0.119 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCOCC[NH+](C)C)CC1 ZINC001298098638 1073817842 /nfs/dbraw/zinc/81/78/42/1073817842.db2.gz ZXGCTPFFZFHBAF-UHFFFAOYSA-N 1 0 433.561 -0.533 20 0 IBADRO CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001298104036 1073818791 /nfs/dbraw/zinc/81/87/91/1073818791.db2.gz ONHVAYKEEYPGIU-HNNXBMFYSA-N 1 0 425.559 -0.205 20 0 IBADRO CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001298104038 1073818928 /nfs/dbraw/zinc/81/89/28/1073818928.db2.gz ONHVAYKEEYPGIU-OAHLLOKOSA-N 1 0 425.559 -0.205 20 0 IBADRO CN(CC(=O)N1CCOCC1)c1nnc(-c2cnccn2)n1CCC[NH+]1CCC(O)CC1 ZINC001298199302 1073820850 /nfs/dbraw/zinc/82/08/50/1073820850.db2.gz RIHMGEORMOJBTF-UHFFFAOYSA-N 1 0 444.540 -0.123 20 0 IBADRO CN1CC[NH+](CC2CN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001298437136 1073822853 /nfs/dbraw/zinc/82/28/53/1073822853.db2.gz CITYIYINMULSCI-KRWDZBQOSA-N 1 0 430.958 -0.315 20 0 IBADRO CN1CC[NH+](CC2CN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001298437138 1073822983 /nfs/dbraw/zinc/82/29/83/1073822983.db2.gz CITYIYINMULSCI-QGZVFWFLSA-N 1 0 430.958 -0.315 20 0 IBADRO COc1ccc(S(=O)(=O)NCC(=O)N2CC(C[NH+]3CCN(C)CC3)C2)cc1OC ZINC001298437573 1073822770 /nfs/dbraw/zinc/82/27/70/1073822770.db2.gz IXQCLXKKAXIQEF-UHFFFAOYSA-N 1 0 426.539 -0.312 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001298676425 1073824085 /nfs/dbraw/zinc/82/40/85/1073824085.db2.gz JDNYMCZAIGHFHN-INMHGKMJSA-N 1 0 442.586 -0.220 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001298676429 1073824115 /nfs/dbraw/zinc/82/41/15/1073824115.db2.gz JDNYMCZAIGHFHN-UXLLHSPISA-N 1 0 442.586 -0.220 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001298676431 1073824142 /nfs/dbraw/zinc/82/41/42/1073824142.db2.gz JDNYMCZAIGHFHN-VYDXJSESSA-N 1 0 442.586 -0.220 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001298676432 1073824153 /nfs/dbraw/zinc/82/41/53/1073824153.db2.gz JDNYMCZAIGHFHN-ZOBUZTSGSA-N 1 0 442.586 -0.220 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001298677167 1073824139 /nfs/dbraw/zinc/82/41/39/1073824139.db2.gz PZCHCEQFJROGLT-NTZUZEMLSA-N 1 0 448.568 -0.396 20 0 IBADRO CC(C)C[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001298677168 1073824063 /nfs/dbraw/zinc/82/40/63/1073824063.db2.gz PZCHCEQFJROGLT-RHQZKXFESA-N 1 0 448.568 -0.396 20 0 IBADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCSCC1 ZINC001298743457 1073825954 /nfs/dbraw/zinc/82/59/54/1073825954.db2.gz IQACTXJYMXCGJH-CYBMUJFWSA-N 1 0 431.588 -0.737 20 0 IBADRO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCSCC1 ZINC001298743458 1073825887 /nfs/dbraw/zinc/82/58/87/1073825887.db2.gz IQACTXJYMXCGJH-ZDUSSCGKSA-N 1 0 431.588 -0.737 20 0 IBADRO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298777796 1073827664 /nfs/dbraw/zinc/82/76/64/1073827664.db2.gz LRXGSWXSRMVTFR-HNNXBMFYSA-N 1 0 441.602 -0.264 20 0 IBADRO CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298777797 1073827616 /nfs/dbraw/zinc/82/76/16/1073827616.db2.gz LRXGSWXSRMVTFR-OAHLLOKOSA-N 1 0 441.602 -0.264 20 0 IBADRO Cn1cc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCC[NH+]2CCC(O)CC2)cn1 ZINC001298810176 1073828070 /nfs/dbraw/zinc/82/80/70/1073828070.db2.gz BRRFBBKLKAAHCV-UHFFFAOYSA-N 1 0 446.556 -0.004 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)CC1=O ZINC001298845398 1073829788 /nfs/dbraw/zinc/82/97/88/1073829788.db2.gz BLFKEDIBDLMILK-CYBMUJFWSA-N 1 0 442.538 -0.410 20 0 IBADRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)CC1=O ZINC001298845399 1073829823 /nfs/dbraw/zinc/82/98/23/1073829823.db2.gz BLFKEDIBDLMILK-ZDUSSCGKSA-N 1 0 442.538 -0.410 20 0 IBADRO CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N[C@@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)c1 ZINC001298845426 1073829663 /nfs/dbraw/zinc/82/96/63/1073829663.db2.gz CAHYJPJBQOGKAZ-CYBMUJFWSA-N 1 0 428.511 -0.510 20 0 IBADRO CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)c1 ZINC001298845427 1073829645 /nfs/dbraw/zinc/82/96/45/1073829645.db2.gz CAHYJPJBQOGKAZ-ZDUSSCGKSA-N 1 0 428.511 -0.510 20 0 IBADRO C[N@@H+]1CC[C@](O)(Cn2c(-c3cnccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001298878227 1073831062 /nfs/dbraw/zinc/83/10/62/1073831062.db2.gz KTZCFGNXAMMCLM-GOSISDBHSA-N 1 0 436.542 -0.727 20 0 IBADRO C[N@@H+]1CC[C@@](O)(Cn2c(-c3cnccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001298878228 1073830906 /nfs/dbraw/zinc/83/09/06/1073830906.db2.gz KTZCFGNXAMMCLM-SFHVURJKSA-N 1 0 436.542 -0.727 20 0 IBADRO C[N@@H+]1CC[C@@](O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)C1 ZINC001298878660 1073830789 /nfs/dbraw/zinc/83/07/89/1073830789.db2.gz LJAADKYEPBXRNA-FQEVSTJZSA-N 1 0 447.927 -0.136 20 0 IBADRO C[N@@H+]1CC[C@](O)(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)C1 ZINC001298878662 1073830983 /nfs/dbraw/zinc/83/09/83/1073830983.db2.gz LJAADKYEPBXRNA-HXUWFJFHSA-N 1 0 447.927 -0.136 20 0 IBADRO Cn1cccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298878799 1073831930 /nfs/dbraw/zinc/83/19/30/1073831930.db2.gz MOWUQKGIBPVKDF-IBGZPJMESA-N 1 0 437.570 -0.178 20 0 IBADRO Cn1cccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298878800 1073831793 /nfs/dbraw/zinc/83/17/93/1073831793.db2.gz MOWUQKGIBPVKDF-LJQANCHMSA-N 1 0 437.570 -0.178 20 0 IBADRO Cn1cc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC001298879910 1073831533 /nfs/dbraw/zinc/83/15/33/1073831533.db2.gz RXZJWILLYBESKX-GOSISDBHSA-N 1 0 438.558 -0.737 20 0 IBADRO Cn1cc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC001298879911 1073831492 /nfs/dbraw/zinc/83/14/92/1073831492.db2.gz RXZJWILLYBESKX-SFHVURJKSA-N 1 0 438.558 -0.737 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc(-c3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001298880943 1073831837 /nfs/dbraw/zinc/83/18/37/1073831837.db2.gz YHGMNBKAVQHNHG-NRFANRHFSA-N 1 0 428.541 -0.383 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001298880944 1073831883 /nfs/dbraw/zinc/83/18/83/1073831883.db2.gz YHGMNBKAVQHNHG-OAQYLSRUSA-N 1 0 428.541 -0.383 20 0 IBADRO C[N@@H+]1CC[C@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001298881819 1073831765 /nfs/dbraw/zinc/83/17/65/1073831765.db2.gz LLMBMZKUCSONGW-BFUOFWGJSA-N 1 0 433.538 -0.352 20 0 IBADRO C[N@@H+]1CC[C@@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001298881820 1073831824 /nfs/dbraw/zinc/83/18/24/1073831824.db2.gz LLMBMZKUCSONGW-DJJJIMSYSA-N 1 0 433.538 -0.352 20 0 IBADRO C[N@@H+]1CC[C@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001298881821 1073831641 /nfs/dbraw/zinc/83/16/41/1073831641.db2.gz LLMBMZKUCSONGW-ORAYPTAESA-N 1 0 433.538 -0.352 20 0 IBADRO C[N@@H+]1CC[C@@](O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001298881822 1073831911 /nfs/dbraw/zinc/83/19/11/1073831911.db2.gz LLMBMZKUCSONGW-YJYMSZOUSA-N 1 0 433.538 -0.352 20 0 IBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001298882001 1073832433 /nfs/dbraw/zinc/83/24/33/1073832433.db2.gz OAVJXMJOAPLXFC-KBXCAEBGSA-N 1 0 428.559 -0.633 20 0 IBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001298882002 1073832637 /nfs/dbraw/zinc/83/26/37/1073832637.db2.gz OAVJXMJOAPLXFC-KDOFPFPSSA-N 1 0 428.559 -0.633 20 0 IBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001298882003 1073832539 /nfs/dbraw/zinc/83/25/39/1073832539.db2.gz OAVJXMJOAPLXFC-KSSFIOAISA-N 1 0 428.559 -0.633 20 0 IBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001298882004 1073832330 /nfs/dbraw/zinc/83/23/30/1073832330.db2.gz OAVJXMJOAPLXFC-RDTXWAMCSA-N 1 0 428.559 -0.633 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001298882259 1073832459 /nfs/dbraw/zinc/83/24/59/1073832459.db2.gz SVYCVXYTAFZEDH-JOCHJYFZSA-N 1 0 442.568 -0.459 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001298882260 1073832154 /nfs/dbraw/zinc/83/21/54/1073832154.db2.gz SVYCVXYTAFZEDH-QFIPXVFZSA-N 1 0 442.568 -0.459 20 0 IBADRO CN(CC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298882327 1073832184 /nfs/dbraw/zinc/83/21/84/1073832184.db2.gz UPVOVHGXIJITBO-CRAIPNDOSA-N 1 0 428.559 -0.476 20 0 IBADRO CN(CC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001298882328 1073832293 /nfs/dbraw/zinc/83/22/93/1073832293.db2.gz UPVOVHGXIJITBO-MAUKXSAKSA-N 1 0 428.559 -0.476 20 0 IBADRO CN(CC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298882329 1073832250 /nfs/dbraw/zinc/83/22/50/1073832250.db2.gz UPVOVHGXIJITBO-QAPCUYQASA-N 1 0 428.559 -0.476 20 0 IBADRO CN(CC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001298882330 1073832679 /nfs/dbraw/zinc/83/26/79/1073832679.db2.gz UPVOVHGXIJITBO-YJBOKZPZSA-N 1 0 428.559 -0.476 20 0 IBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001298882455 1073832518 /nfs/dbraw/zinc/83/25/18/1073832518.db2.gz WTRIAUPGIINTTQ-CRAIPNDOSA-N 1 0 428.559 -0.680 20 0 IBADRO C[N@@H+]1CC[C@](O)(Cn2c([C@H]3CCCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001298882456 1073832668 /nfs/dbraw/zinc/83/26/68/1073832668.db2.gz WTRIAUPGIINTTQ-MAUKXSAKSA-N 1 0 428.559 -0.680 20 0 IBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001298882457 1073832650 /nfs/dbraw/zinc/83/26/50/1073832650.db2.gz WTRIAUPGIINTTQ-QAPCUYQASA-N 1 0 428.559 -0.680 20 0 IBADRO C[N@@H+]1CC[C@@](O)(Cn2c([C@H]3CCCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001298882458 1073832217 /nfs/dbraw/zinc/83/22/17/1073832217.db2.gz WTRIAUPGIINTTQ-YJBOKZPZSA-N 1 0 428.559 -0.680 20 0 IBADRO C[N@@H+]1CC[C@](O)(Cn2c(N3CCN(C(=O)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001298885110 1073832396 /nfs/dbraw/zinc/83/23/96/1073832396.db2.gz GOZPIMMBWCQZIJ-JOCHJYFZSA-N 1 0 447.584 -0.087 20 0 IBADRO C[N@@H+]1CC[C@@](O)(Cn2c(N3CCN(C(=O)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001298885111 1073832490 /nfs/dbraw/zinc/83/24/90/1073832490.db2.gz GOZPIMMBWCQZIJ-QFIPXVFZSA-N 1 0 447.584 -0.087 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc(C3CC3)n2CCNS(C)(=O)=O)CC1 ZINC001298889424 1073833134 /nfs/dbraw/zinc/83/31/34/1073833134.db2.gz SARMZSKTRPSFNY-HNNXBMFYSA-N 1 0 425.559 -0.553 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(C3CC3)n2CCNS(C)(=O)=O)CC1 ZINC001298889426 1073833200 /nfs/dbraw/zinc/83/32/00/1073833200.db2.gz SARMZSKTRPSFNY-OAHLLOKOSA-N 1 0 425.559 -0.553 20 0 IBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+](C)C ZINC001298988610 1073835411 /nfs/dbraw/zinc/83/54/11/1073835411.db2.gz VOPPGISOIHYYJZ-ILXRZTDVSA-N 1 0 445.590 -0.621 20 0 IBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+](C)C ZINC001298988611 1073835563 /nfs/dbraw/zinc/83/55/63/1073835563.db2.gz VOPPGISOIHYYJZ-KFWWJZLASA-N 1 0 445.590 -0.621 20 0 IBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+](C)C ZINC001298988612 1073835591 /nfs/dbraw/zinc/83/55/91/1073835591.db2.gz VOPPGISOIHYYJZ-QLFBSQMISA-N 1 0 445.590 -0.621 20 0 IBADRO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+](C)C ZINC001298988613 1073835373 /nfs/dbraw/zinc/83/53/73/1073835373.db2.gz VOPPGISOIHYYJZ-RBSFLKMASA-N 1 0 445.590 -0.621 20 0 IBADRO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001299033857 1073836573 /nfs/dbraw/zinc/83/65/73/1073836573.db2.gz ZXICYKPODYCDRV-UHFFFAOYSA-N 1 0 438.506 -0.045 20 0 IBADRO CNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)CCOC)CC1 ZINC001299119648 1073839064 /nfs/dbraw/zinc/83/90/64/1073839064.db2.gz RRUQRNXJBYXHLK-INIZCTEOSA-N 1 0 442.586 -0.279 20 0 IBADRO CNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)CCOC)CC1 ZINC001299119650 1073839102 /nfs/dbraw/zinc/83/91/02/1073839102.db2.gz RRUQRNXJBYXHLK-MRXNPFEDSA-N 1 0 442.586 -0.279 20 0 IBADRO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001299128211 1073840258 /nfs/dbraw/zinc/84/02/58/1073840258.db2.gz LHFOTKYVBRSMGA-AUUYWEPGSA-N 1 0 439.586 -0.195 20 0 IBADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001299128213 1073840130 /nfs/dbraw/zinc/84/01/30/1073840130.db2.gz LHFOTKYVBRSMGA-IFXJQAMLSA-N 1 0 439.586 -0.195 20 0 IBADRO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001299128215 1073840293 /nfs/dbraw/zinc/84/02/93/1073840293.db2.gz LHFOTKYVBRSMGA-KUHUBIRLSA-N 1 0 439.586 -0.195 20 0 IBADRO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001299128217 1073840003 /nfs/dbraw/zinc/84/00/03/1073840003.db2.gz LHFOTKYVBRSMGA-LIRRHRJNSA-N 1 0 439.586 -0.195 20 0 IBADRO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299135233 1073841301 /nfs/dbraw/zinc/84/13/01/1073841301.db2.gz XGOJAANAHHXOOJ-DYESRHJHSA-N 1 0 430.509 -0.029 20 0 IBADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299135234 1073841210 /nfs/dbraw/zinc/84/12/10/1073841210.db2.gz XGOJAANAHHXOOJ-LAUBAEHRSA-N 1 0 430.509 -0.029 20 0 IBADRO CNC(=O)[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299135235 1073841399 /nfs/dbraw/zinc/84/13/99/1073841399.db2.gz XGOJAANAHHXOOJ-UTKZUKDTSA-N 1 0 430.509 -0.029 20 0 IBADRO CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001299135236 1073841163 /nfs/dbraw/zinc/84/11/63/1073841163.db2.gz XGOJAANAHHXOOJ-UWJYYQICSA-N 1 0 430.509 -0.029 20 0 IBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001299138975 1073841963 /nfs/dbraw/zinc/84/19/63/1073841963.db2.gz BALCKOCCYPVRTI-BBWFWOEESA-N 1 0 449.556 -0.463 20 0 IBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001299138976 1073841765 /nfs/dbraw/zinc/84/17/65/1073841765.db2.gz BALCKOCCYPVRTI-IKGGRYGDSA-N 1 0 449.556 -0.463 20 0 IBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001299138977 1073841931 /nfs/dbraw/zinc/84/19/31/1073841931.db2.gz BALCKOCCYPVRTI-ULQDDVLXSA-N 1 0 449.556 -0.463 20 0 IBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001299138978 1073841838 /nfs/dbraw/zinc/84/18/38/1073841838.db2.gz BALCKOCCYPVRTI-ZACQAIPSSA-N 1 0 449.556 -0.463 20 0 IBADRO CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCC2)CCO1 ZINC001299149010 1073844359 /nfs/dbraw/zinc/84/43/59/1073844359.db2.gz VZLLOUGNXUUKRU-CVEARBPZSA-N 1 0 440.570 -0.383 20 0 IBADRO CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCC2)CCO1 ZINC001299149011 1073844546 /nfs/dbraw/zinc/84/45/46/1073844546.db2.gz VZLLOUGNXUUKRU-HOTGVXAUSA-N 1 0 440.570 -0.383 20 0 IBADRO CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCC2)CCO1 ZINC001299149012 1073844519 /nfs/dbraw/zinc/84/45/19/1073844519.db2.gz VZLLOUGNXUUKRU-HZPDHXFCSA-N 1 0 440.570 -0.383 20 0 IBADRO CNC(=O)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCC2)CCO1 ZINC001299149013 1073844634 /nfs/dbraw/zinc/84/46/34/1073844634.db2.gz VZLLOUGNXUUKRU-JKSUJKDBSA-N 1 0 440.570 -0.383 20 0 IBADRO 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CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302328640 1073899343 /nfs/dbraw/zinc/89/93/43/1073899343.db2.gz UQHSBSJDBXRJDI-KBPBESRZSA-N 1 0 431.563 -0.171 20 0 IBADRO CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302328641 1073899665 /nfs/dbraw/zinc/89/96/65/1073899665.db2.gz UQHSBSJDBXRJDI-KGLIPLIRSA-N 1 0 431.563 -0.171 20 0 IBADRO CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302328642 1073899522 /nfs/dbraw/zinc/89/95/22/1073899522.db2.gz UQHSBSJDBXRJDI-UONOGXRCSA-N 1 0 431.563 -0.171 20 0 IBADRO CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302328643 1073899619 /nfs/dbraw/zinc/89/96/19/1073899619.db2.gz UQHSBSJDBXRJDI-ZIAGYGMSSA-N 1 0 431.563 -0.171 20 0 IBADRO CO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001302367470 1073900187 /nfs/dbraw/zinc/90/01/87/1073900187.db2.gz YOSOFRHLAAFDHQ-GDBMZVCRSA-N 1 0 430.575 -0.040 20 0 IBADRO CO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001302367471 1073900142 /nfs/dbraw/zinc/90/01/42/1073900142.db2.gz YOSOFRHLAAFDHQ-GOEBONIOSA-N 1 0 430.575 -0.040 20 0 IBADRO CO[C@@H]1CC[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(O)CC[N@H+](C)C3)C[C@H]12 ZINC001302384732 1073900676 /nfs/dbraw/zinc/90/06/76/1073900676.db2.gz YQYSRXDKCXCMAX-FDQIELQPSA-N 1 0 442.586 -0.184 20 0 IBADRO CO[C@@H]1CC[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@]3(O)CC[N@H+](C)C3)C[C@H]12 ZINC001302384733 1073900600 /nfs/dbraw/zinc/90/06/00/1073900600.db2.gz YQYSRXDKCXCMAX-POORBHPNSA-N 1 0 442.586 -0.184 20 0 IBADRO CO[C@@H]1CC[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@]3(O)CC[N@H+](C)C3)C[C@H]12 ZINC001302384734 1073900648 /nfs/dbraw/zinc/90/06/48/1073900648.db2.gz YQYSRXDKCXCMAX-RUEZSYAVSA-N 1 0 442.586 -0.184 20 0 IBADRO CO[C@@H]1CC[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@]3(O)CC[N@H+](C)C3)C[C@H]12 ZINC001302384735 1073901198 /nfs/dbraw/zinc/90/11/98/1073901198.db2.gz YQYSRXDKCXCMAX-WPECMILSSA-N 1 0 442.586 -0.184 20 0 IBADRO CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001302404352 1073901283 /nfs/dbraw/zinc/90/12/83/1073901283.db2.gz YEKWYWUPEWUSHB-NRFANRHFSA-N 1 0 433.557 -0.228 20 0 IBADRO CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001302404353 1073901174 /nfs/dbraw/zinc/90/11/74/1073901174.db2.gz YEKWYWUPEWUSHB-OAQYLSRUSA-N 1 0 433.557 -0.228 20 0 IBADRO CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302466723 1073906458 /nfs/dbraw/zinc/90/64/58/1073906458.db2.gz RAQGSNVAIGJTIQ-INIZCTEOSA-N 1 0 440.570 -0.178 20 0 IBADRO CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302466724 1073906595 /nfs/dbraw/zinc/90/65/95/1073906595.db2.gz RAQGSNVAIGJTIQ-MRXNPFEDSA-N 1 0 440.570 -0.178 20 0 IBADRO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCS(=O)CC3)n2CC[NH+]2CCCC2)C1 ZINC001302483523 1073910703 /nfs/dbraw/zinc/91/07/03/1073910703.db2.gz HESHTHFPKWXZRX-HNNXBMFYSA-N 1 0 446.599 -0.725 20 0 IBADRO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCS(=O)CC3)n2CC[NH+]2CCCC2)C1 ZINC001302483524 1073910649 /nfs/dbraw/zinc/91/06/49/1073910649.db2.gz HESHTHFPKWXZRX-OAHLLOKOSA-N 1 0 446.599 -0.725 20 0 IBADRO CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302501626 1073914453 /nfs/dbraw/zinc/91/44/53/1073914453.db2.gz XPKSBKXAKKWDLM-KRWDZBQOSA-N 1 0 449.581 -0.028 20 0 IBADRO CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302501627 1073914530 /nfs/dbraw/zinc/91/45/30/1073914530.db2.gz XPKSBKXAKKWDLM-QGZVFWFLSA-N 1 0 449.581 -0.028 20 0 IBADRO CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001302506038 1073914410 /nfs/dbraw/zinc/91/44/10/1073914410.db2.gz MPOPGNIEFVCAQF-MRXNPFEDSA-N 1 0 428.559 -0.020 20 0 IBADRO CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001302506539 1073915034 /nfs/dbraw/zinc/91/50/34/1073915034.db2.gz QPIXGDWQFULZMH-HZPDHXFCSA-N 1 0 428.559 -0.163 20 0 IBADRO CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001302506540 1073915085 /nfs/dbraw/zinc/91/50/85/1073915085.db2.gz QPIXGDWQFULZMH-JKSUJKDBSA-N 1 0 428.559 -0.163 20 0 IBADRO CN1CC[NH+](C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)CC1 ZINC001302598231 1073916243 /nfs/dbraw/zinc/91/62/43/1073916243.db2.gz WREROFZNBYFCFW-UHFFFAOYSA-N 1 0 449.577 -0.341 20 0 IBADRO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302698950 1073917499 /nfs/dbraw/zinc/91/74/99/1073917499.db2.gz BGEYVLNRQCDVSK-DLBZAZTESA-N 1 0 433.557 -0.215 20 0 IBADRO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302698951 1073917404 /nfs/dbraw/zinc/91/74/04/1073917404.db2.gz BGEYVLNRQCDVSK-IAGOWNOFSA-N 1 0 433.557 -0.215 20 0 IBADRO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302698952 1073917467 /nfs/dbraw/zinc/91/74/67/1073917467.db2.gz BGEYVLNRQCDVSK-IRXDYDNUSA-N 1 0 433.557 -0.215 20 0 IBADRO CC(C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302698953 1073917493 /nfs/dbraw/zinc/91/74/93/1073917493.db2.gz BGEYVLNRQCDVSK-SJORKVTESA-N 1 0 433.557 -0.215 20 0 IBADRO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 ZINC001302819162 1073918611 /nfs/dbraw/zinc/91/86/11/1073918611.db2.gz WRAIFEKPDSNSHN-MDASCCDHSA-N 1 0 431.555 -0.207 20 0 IBADRO C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 ZINC001302819165 1073918618 /nfs/dbraw/zinc/91/86/18/1073918618.db2.gz WRAIFEKPDSNSHN-NIKGAXFTSA-N 1 0 431.555 -0.207 20 0 IBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001302820014 1073918625 /nfs/dbraw/zinc/91/86/25/1073918625.db2.gz ZXRMJIIFJOWLJV-IBGZPJMESA-N 1 0 427.523 -0.145 20 0 IBADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001302820015 1073918578 /nfs/dbraw/zinc/91/85/78/1073918578.db2.gz ZXRMJIIFJOWLJV-LJQANCHMSA-N 1 0 427.523 -0.145 20 0 IBADRO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001302939982 1073922625 /nfs/dbraw/zinc/92/26/25/1073922625.db2.gz XDJCSBDAPTVJBR-KRWDZBQOSA-N 1 0 435.573 -0.066 20 0 IBADRO CC(C)Cc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001302939983 1073922571 /nfs/dbraw/zinc/92/25/71/1073922571.db2.gz XDJCSBDAPTVJBR-QGZVFWFLSA-N 1 0 435.573 -0.066 20 0 IBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302966296 1073923057 /nfs/dbraw/zinc/92/30/57/1073923057.db2.gz QANOCERCBPXEHU-KRWDZBQOSA-N 1 0 447.584 -0.141 20 0 IBADRO CC(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302966297 1073923022 /nfs/dbraw/zinc/92/30/22/1073923022.db2.gz QANOCERCBPXEHU-QGZVFWFLSA-N 1 0 447.584 -0.141 20 0 IBADRO COC(=O)[C@]1(O)CCN(C(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)C1 ZINC001303027541 1073923877 /nfs/dbraw/zinc/92/38/77/1073923877.db2.gz QVVAZWKPWXWIKS-IBGZPJMESA-N 1 0 427.523 -0.025 20 0 IBADRO COC(=O)[C@@]1(O)CCN(C(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)C1 ZINC001303027542 1073923736 /nfs/dbraw/zinc/92/37/36/1073923736.db2.gz QVVAZWKPWXWIKS-LJQANCHMSA-N 1 0 427.523 -0.025 20 0 IBADRO NC(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001303036684 1073924439 /nfs/dbraw/zinc/92/44/39/1073924439.db2.gz VCFVIEFGCWRCLK-DLBZAZTESA-N 1 0 433.557 -0.051 20 0 IBADRO NC(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001303036691 1073924254 /nfs/dbraw/zinc/92/42/54/1073924254.db2.gz VCFVIEFGCWRCLK-IAGOWNOFSA-N 1 0 433.557 -0.051 20 0 IBADRO NC(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001303036693 1073924296 /nfs/dbraw/zinc/92/42/96/1073924296.db2.gz VCFVIEFGCWRCLK-IRXDYDNUSA-N 1 0 433.557 -0.051 20 0 IBADRO NC(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001303036695 1073924364 /nfs/dbraw/zinc/92/43/64/1073924364.db2.gz VCFVIEFGCWRCLK-SJORKVTESA-N 1 0 433.557 -0.051 20 0 IBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303048906 1073924915 /nfs/dbraw/zinc/92/49/15/1073924915.db2.gz ACMQCLBNBFVDAR-CYBMUJFWSA-N 1 0 444.330 -0.376 20 0 IBADRO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303048907 1073925039 /nfs/dbraw/zinc/92/50/39/1073925039.db2.gz ACMQCLBNBFVDAR-ZDUSSCGKSA-N 1 0 444.330 -0.376 20 0 IBADRO NS(=O)(=O)c1nc(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n2ccccc12 ZINC001303051536 1073924872 /nfs/dbraw/zinc/92/48/72/1073924872.db2.gz FFEKQAADIQQODV-HNNXBMFYSA-N 1 0 436.538 -0.492 20 0 IBADRO NS(=O)(=O)c1nc(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)n2ccccc12 ZINC001303051537 1073925167 /nfs/dbraw/zinc/92/51/67/1073925167.db2.gz FFEKQAADIQQODV-OAHLLOKOSA-N 1 0 436.538 -0.492 20 0 IBADRO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303052842 1073924944 /nfs/dbraw/zinc/92/49/44/1073924944.db2.gz NHUACGOWDAERSM-PMACEKPBSA-N 1 0 436.528 -0.242 20 0 IBADRO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303052843 1073924982 /nfs/dbraw/zinc/92/49/82/1073924982.db2.gz NHUACGOWDAERSM-UXHICEINSA-N 1 0 436.528 -0.242 20 0 IBADRO Nc1ccccc1S(=O)(=O)NCC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303054785 1073925745 /nfs/dbraw/zinc/92/57/45/1073925745.db2.gz VPKYBGXQLREQMT-INIZCTEOSA-N 1 0 425.555 -0.540 20 0 IBADRO Nc1ccccc1S(=O)(=O)NCC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303054786 1073925633 /nfs/dbraw/zinc/92/56/33/1073925633.db2.gz VPKYBGXQLREQMT-MRXNPFEDSA-N 1 0 425.555 -0.540 20 0 IBADRO CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC1 ZINC001303178946 1073929186 /nfs/dbraw/zinc/92/91/86/1073929186.db2.gz ZDFOBJFKXWDPIR-UHFFFAOYSA-N 1 0 427.575 -0.159 20 0 IBADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)CC1 ZINC001303183704 1073929128 /nfs/dbraw/zinc/92/91/28/1073929128.db2.gz TVOGSEBPYXHVAO-HUUCEWRRSA-N 1 0 427.575 -0.055 20 0 IBADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)CC1 ZINC001303183710 1073929209 /nfs/dbraw/zinc/92/92/09/1073929209.db2.gz TVOGSEBPYXHVAO-LSDHHAIUSA-N 1 0 427.575 -0.055 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001303201689 1073929921 /nfs/dbraw/zinc/92/99/21/1073929921.db2.gz OVDOWPKPLSLIEL-DLBZAZTESA-N 1 0 433.557 -0.095 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001303201690 1073929748 /nfs/dbraw/zinc/92/97/48/1073929748.db2.gz OVDOWPKPLSLIEL-IAGOWNOFSA-N 1 0 433.557 -0.095 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001303201691 1073929600 /nfs/dbraw/zinc/92/96/00/1073929600.db2.gz OVDOWPKPLSLIEL-IRXDYDNUSA-N 1 0 433.557 -0.095 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001303201692 1073929675 /nfs/dbraw/zinc/92/96/75/1073929675.db2.gz OVDOWPKPLSLIEL-SJORKVTESA-N 1 0 433.557 -0.095 20 0 IBADRO CC(C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001303268129 1073931052 /nfs/dbraw/zinc/93/10/52/1073931052.db2.gz BGHVPPFXJIZTPS-HNNXBMFYSA-N 1 0 432.529 -0.999 20 0 IBADRO CC(C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001303268134 1073931130 /nfs/dbraw/zinc/93/11/30/1073931130.db2.gz BGHVPPFXJIZTPS-OAHLLOKOSA-N 1 0 432.529 -0.999 20 0 IBADRO CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)CC1 ZINC001303317227 1073931623 /nfs/dbraw/zinc/93/16/23/1073931623.db2.gz KECVPOFKUJQCBL-HNNXBMFYSA-N 1 0 430.575 -0.088 20 0 IBADRO CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)CC1 ZINC001303317228 1073931645 /nfs/dbraw/zinc/93/16/45/1073931645.db2.gz KECVPOFKUJQCBL-OAHLLOKOSA-N 1 0 430.575 -0.088 20 0 IBADRO CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)N(C)C)CC1 ZINC001303317341 1073931636 /nfs/dbraw/zinc/93/16/36/1073931636.db2.gz VHPMRERMGOYVDT-UHFFFAOYSA-N 1 0 427.575 -0.178 20 0 IBADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001303321775 1073931674 /nfs/dbraw/zinc/93/16/74/1073931674.db2.gz HVLIOMVMAFFGRD-HRAATJIYSA-N 1 0 449.556 -0.978 20 0 IBADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001303321776 1073931499 /nfs/dbraw/zinc/93/14/99/1073931499.db2.gz HVLIOMVMAFFGRD-IERDGZPVSA-N 1 0 449.556 -0.978 20 0 IBADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001303321777 1073932110 /nfs/dbraw/zinc/93/21/10/1073932110.db2.gz HVLIOMVMAFFGRD-IIBYNOLFSA-N 1 0 449.556 -0.978 20 0 IBADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001303321778 1073932143 /nfs/dbraw/zinc/93/21/43/1073932143.db2.gz HVLIOMVMAFFGRD-KKSFZXQISA-N 1 0 449.556 -0.978 20 0 IBADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(C3CCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001303322353 1073932157 /nfs/dbraw/zinc/93/21/57/1073932157.db2.gz PKESEYQPPPVQQM-NRFANRHFSA-N 1 0 433.557 -0.215 20 0 IBADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001303322354 1073932204 /nfs/dbraw/zinc/93/22/04/1073932204.db2.gz PKESEYQPPPVQQM-OAQYLSRUSA-N 1 0 433.557 -0.215 20 0 IBADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001303322389 1073932121 /nfs/dbraw/zinc/93/21/21/1073932121.db2.gz QLHWJPXDJJZWQQ-HNNXBMFYSA-N 1 0 431.545 -0.198 20 0 IBADRO CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001303322390 1073932214 /nfs/dbraw/zinc/93/22/14/1073932214.db2.gz QLHWJPXDJJZWQQ-OAHLLOKOSA-N 1 0 431.545 -0.198 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303360759 1073934317 /nfs/dbraw/zinc/93/43/17/1073934317.db2.gz RNUGPVSAJVIYOC-LEWJYISDSA-N 1 0 435.573 -0.216 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303360760 1073934458 /nfs/dbraw/zinc/93/44/58/1073934458.db2.gz RNUGPVSAJVIYOC-NHCUHLMSSA-N 1 0 435.573 -0.216 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303360761 1073934354 /nfs/dbraw/zinc/93/43/54/1073934354.db2.gz RNUGPVSAJVIYOC-RTWAWAEBSA-N 1 0 435.573 -0.216 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303360762 1073934422 /nfs/dbraw/zinc/93/44/22/1073934422.db2.gz RNUGPVSAJVIYOC-SFTDATJTSA-N 1 0 435.573 -0.216 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303367655 1073934939 /nfs/dbraw/zinc/93/49/39/1073934939.db2.gz YXLSYAGRVHVQMS-DYESRHJHSA-N 1 0 435.573 -0.359 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303367656 1073935140 /nfs/dbraw/zinc/93/51/40/1073935140.db2.gz YXLSYAGRVHVQMS-LAUBAEHRSA-N 1 0 435.573 -0.359 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@H](CN3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303367657 1073935087 /nfs/dbraw/zinc/93/50/87/1073935087.db2.gz YXLSYAGRVHVQMS-UTKZUKDTSA-N 1 0 435.573 -0.359 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303367658 1073935040 /nfs/dbraw/zinc/93/50/40/1073935040.db2.gz YXLSYAGRVHVQMS-UWJYYQICSA-N 1 0 435.573 -0.359 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303373733 1073935648 /nfs/dbraw/zinc/93/56/48/1073935648.db2.gz XNWPBAQLJHGTQZ-FOIQADDNSA-N 1 0 434.545 -0.477 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303373734 1073935588 /nfs/dbraw/zinc/93/55/88/1073935588.db2.gz XNWPBAQLJHGTQZ-MGPUTAFESA-N 1 0 434.545 -0.477 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303373735 1073935603 /nfs/dbraw/zinc/93/56/03/1073935603.db2.gz XNWPBAQLJHGTQZ-QRWLVFNGSA-N 1 0 434.545 -0.477 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303373736 1073935623 /nfs/dbraw/zinc/93/56/23/1073935623.db2.gz XNWPBAQLJHGTQZ-YWZLYKJASA-N 1 0 434.545 -0.477 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001303397765 1073936827 /nfs/dbraw/zinc/93/68/27/1073936827.db2.gz OSKKWKRMMYEQDM-AWEZNQCLSA-N 1 0 434.545 -0.706 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001303397766 1073936891 /nfs/dbraw/zinc/93/68/91/1073936891.db2.gz OSKKWKRMMYEQDM-CQSZACIVSA-N 1 0 434.545 -0.706 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCOCC[NH+](C)C ZINC001303398733 1073936742 /nfs/dbraw/zinc/93/67/42/1073936742.db2.gz TWDHOFMBLYQEEE-UHFFFAOYSA-N 1 0 445.590 -0.534 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1cnnn1C ZINC001303399734 1073936806 /nfs/dbraw/zinc/93/68/06/1073936806.db2.gz AVNDZZQPZMXIRA-INIZCTEOSA-N 1 0 444.544 -0.664 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1cnnn1C ZINC001303399736 1073936845 /nfs/dbraw/zinc/93/68/45/1073936845.db2.gz AVNDZZQPZMXIRA-MRXNPFEDSA-N 1 0 444.544 -0.664 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001303399866 1073936838 /nfs/dbraw/zinc/93/68/38/1073936838.db2.gz DUPVBMCOSIYECG-INIZCTEOSA-N 1 0 436.561 -0.059 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001303399867 1073936883 /nfs/dbraw/zinc/93/68/83/1073936883.db2.gz DUPVBMCOSIYECG-MRXNPFEDSA-N 1 0 436.561 -0.059 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303400032 1073936871 /nfs/dbraw/zinc/93/68/71/1073936871.db2.gz JGCBLERWWYDTNB-CVEARBPZSA-N 1 0 446.556 -0.562 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303400033 1073936776 /nfs/dbraw/zinc/93/67/76/1073936776.db2.gz JGCBLERWWYDTNB-HZPDHXFCSA-N 1 0 446.556 -0.562 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303400348 1073936820 /nfs/dbraw/zinc/93/68/20/1073936820.db2.gz UJEFLZCKRNNIEA-NRFANRHFSA-N 1 0 448.572 -0.179 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303400349 1073936761 /nfs/dbraw/zinc/93/67/61/1073936761.db2.gz UJEFLZCKRNNIEA-OAQYLSRUSA-N 1 0 448.572 -0.179 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001303403318 1073937251 /nfs/dbraw/zinc/93/72/51/1073937251.db2.gz UCGPPAQVJTWVNM-UHFFFAOYSA-N 1 0 434.589 -0.032 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CCOCC[NH+](C)C ZINC001303404291 1073937355 /nfs/dbraw/zinc/93/73/55/1073937355.db2.gz SBNHWJGMAJKFNR-UHFFFAOYSA-N 1 0 447.544 -0.419 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCC1 ZINC001303409429 1073938337 /nfs/dbraw/zinc/93/83/37/1073938337.db2.gz HBZGRAYHPSPTSB-UHFFFAOYSA-N 1 0 427.575 -0.018 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001303409521 1073938369 /nfs/dbraw/zinc/93/83/69/1073938369.db2.gz RTQNCELFXUXFQY-DZGCQCFKSA-N 1 0 432.529 -0.954 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001303409524 1073938384 /nfs/dbraw/zinc/93/83/84/1073938384.db2.gz RTQNCELFXUXFQY-HIFRSBDPSA-N 1 0 432.529 -0.954 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001303409527 1073938413 /nfs/dbraw/zinc/93/84/13/1073938413.db2.gz RTQNCELFXUXFQY-UKRRQHHQSA-N 1 0 432.529 -0.954 20 0 IBADRO CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001303409529 1073938328 /nfs/dbraw/zinc/93/83/28/1073938328.db2.gz RTQNCELFXUXFQY-ZFWWWQNUSA-N 1 0 432.529 -0.954 20 0 IBADRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)CC1 ZINC001303569969 1073944599 /nfs/dbraw/zinc/94/45/99/1073944599.db2.gz MFVXPCJHKGSARC-UHFFFAOYSA-N 1 0 440.574 -0.225 20 0 IBADRO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCC[N@H+](C)CCO)c1OC ZINC001303625747 1073945797 /nfs/dbraw/zinc/94/57/97/1073945797.db2.gz DGITYSBWODOSOX-UHFFFAOYSA-N 1 0 431.511 -0.621 20 0 IBADRO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC([NH2+]C3CCOCC3)C2)c1 ZINC001303645157 1073945771 /nfs/dbraw/zinc/94/57/71/1073945771.db2.gz CIBMZLLXKDAYPU-UHFFFAOYSA-N 1 0 431.536 -0.652 20 0 IBADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001303687182 1073946419 /nfs/dbraw/zinc/94/64/19/1073946419.db2.gz VIFXYVFICQHDJA-AWEZNQCLSA-N 1 0 432.529 -0.015 20 0 IBADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001303687183 1073946384 /nfs/dbraw/zinc/94/63/84/1073946384.db2.gz VIFXYVFICQHDJA-CQSZACIVSA-N 1 0 432.529 -0.015 20 0 IBADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1)[NH+](C)C ZINC001303687689 1073946337 /nfs/dbraw/zinc/94/63/37/1073946337.db2.gz VZBIZWCPGQKGKA-CABCVRRESA-N 1 0 444.544 -0.004 20 0 IBADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1)[NH+](C)C ZINC001303687690 1073946365 /nfs/dbraw/zinc/94/63/65/1073946365.db2.gz VZBIZWCPGQKGKA-GJZGRUSLSA-N 1 0 444.544 -0.004 20 0 IBADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)[NH+](C)C ZINC001303687691 1073946375 /nfs/dbraw/zinc/94/63/75/1073946375.db2.gz VZBIZWCPGQKGKA-HUUCEWRRSA-N 1 0 444.544 -0.004 20 0 IBADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)[NH+](C)C ZINC001303687692 1073946411 /nfs/dbraw/zinc/94/64/11/1073946411.db2.gz VZBIZWCPGQKGKA-LSDHHAIUSA-N 1 0 444.544 -0.004 20 0 IBADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001303712778 1073946970 /nfs/dbraw/zinc/94/69/70/1073946970.db2.gz MKAZWJQWIIMHDZ-GDBMZVCRSA-N 1 0 441.540 0.000 20 0 IBADRO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001303712779 1073946934 /nfs/dbraw/zinc/94/69/34/1073946934.db2.gz MKAZWJQWIIMHDZ-GOEBONIOSA-N 1 0 441.540 0.000 20 0 IBADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001303712780 1073946877 /nfs/dbraw/zinc/94/68/77/1073946877.db2.gz MKAZWJQWIIMHDZ-HOCLYGCPSA-N 1 0 441.540 0.000 20 0 IBADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001303712781 1073947119 /nfs/dbraw/zinc/94/71/19/1073947119.db2.gz MKAZWJQWIIMHDZ-ZBFHGGJFSA-N 1 0 441.540 0.000 20 0 IBADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001303722043 1073947482 /nfs/dbraw/zinc/94/74/82/1073947482.db2.gz KGNXJEFSDSPRAN-ILXRZTDVSA-N 1 0 448.615 -0.400 20 0 IBADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001303722044 1073947470 /nfs/dbraw/zinc/94/74/70/1073947470.db2.gz KGNXJEFSDSPRAN-KKUMJFAQSA-N 1 0 448.615 -0.400 20 0 IBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001303722045 1073947585 /nfs/dbraw/zinc/94/75/85/1073947585.db2.gz KGNXJEFSDSPRAN-QLFBSQMISA-N 1 0 448.615 -0.400 20 0 IBADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001303722046 1073947592 /nfs/dbraw/zinc/94/75/92/1073947592.db2.gz KGNXJEFSDSPRAN-SOUVJXGZSA-N 1 0 448.615 -0.400 20 0 IBADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+](C)C ZINC001303722295 1073947491 /nfs/dbraw/zinc/94/74/91/1073947491.db2.gz MOPWUQNGGBFMMJ-KBPBESRZSA-N 1 0 435.554 -0.213 20 0 IBADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+](C)C ZINC001303722296 1073947577 /nfs/dbraw/zinc/94/75/77/1073947577.db2.gz MOPWUQNGGBFMMJ-KGLIPLIRSA-N 1 0 435.554 -0.213 20 0 IBADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+](C)C ZINC001303722297 1073947523 /nfs/dbraw/zinc/94/75/23/1073947523.db2.gz MOPWUQNGGBFMMJ-UONOGXRCSA-N 1 0 435.554 -0.213 20 0 IBADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+](C)C ZINC001303722298 1073947536 /nfs/dbraw/zinc/94/75/36/1073947536.db2.gz MOPWUQNGGBFMMJ-ZIAGYGMSSA-N 1 0 435.554 -0.213 20 0 IBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+](C)C ZINC001303723775 1073947480 /nfs/dbraw/zinc/94/74/80/1073947480.db2.gz VRFGPHMEVUUBJM-ILXRZTDVSA-N 1 0 443.574 -0.772 20 0 IBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+](C)C ZINC001303723776 1073947573 /nfs/dbraw/zinc/94/75/73/1073947573.db2.gz VRFGPHMEVUUBJM-KFWWJZLASA-N 1 0 443.574 -0.772 20 0 IBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+](C)C ZINC001303723777 1073947543 /nfs/dbraw/zinc/94/75/43/1073947543.db2.gz VRFGPHMEVUUBJM-QLFBSQMISA-N 1 0 443.574 -0.772 20 0 IBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+](C)C ZINC001303723778 1073947601 /nfs/dbraw/zinc/94/76/01/1073947601.db2.gz VRFGPHMEVUUBJM-RBSFLKMASA-N 1 0 443.574 -0.772 20 0 IBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001303724317 1073947502 /nfs/dbraw/zinc/94/75/02/1073947502.db2.gz YOPZWWJQHVQOPQ-ILXRZTDVSA-N 1 0 443.574 -0.737 20 0 IBADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001303724328 1073947560 /nfs/dbraw/zinc/94/75/60/1073947560.db2.gz YOPZWWJQHVQOPQ-KKUMJFAQSA-N 1 0 443.574 -0.737 20 0 IBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001303724329 1073948087 /nfs/dbraw/zinc/94/80/87/1073948087.db2.gz YOPZWWJQHVQOPQ-QLFBSQMISA-N 1 0 443.574 -0.737 20 0 IBADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001303724331 1073948044 /nfs/dbraw/zinc/94/80/44/1073948044.db2.gz YOPZWWJQHVQOPQ-SOUVJXGZSA-N 1 0 443.574 -0.737 20 0 IBADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O)[NH+](C)C ZINC001303724333 1073948185 /nfs/dbraw/zinc/94/81/85/1073948185.db2.gz YQMCZSFBPLMBHE-BFHYXJOUSA-N 1 0 431.563 -0.739 20 0 IBADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+](C)C ZINC001303724337 1073948107 /nfs/dbraw/zinc/94/81/07/1073948107.db2.gz YQMCZSFBPLMBHE-MCIONIFRSA-N 1 0 431.563 -0.739 20 0 IBADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+](C)C ZINC001303724338 1073948216 /nfs/dbraw/zinc/94/82/16/1073948216.db2.gz YQMCZSFBPLMBHE-MGPQQGTHSA-N 1 0 431.563 -0.739 20 0 IBADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O)[NH+](C)C ZINC001303724340 1073948132 /nfs/dbraw/zinc/94/81/32/1073948132.db2.gz YQMCZSFBPLMBHE-MJBXVCDLSA-N 1 0 431.563 -0.739 20 0 IBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001303748002 1073948099 /nfs/dbraw/zinc/94/80/99/1073948099.db2.gz VOGJRQZOFYTBPL-ILXRZTDVSA-N 1 0 427.575 -0.068 20 0 IBADRO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001303748003 1073948026 /nfs/dbraw/zinc/94/80/26/1073948026.db2.gz VOGJRQZOFYTBPL-KFWWJZLASA-N 1 0 427.575 -0.068 20 0 IBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001303748004 1073948128 /nfs/dbraw/zinc/94/81/28/1073948128.db2.gz VOGJRQZOFYTBPL-QLFBSQMISA-N 1 0 427.575 -0.068 20 0 IBADRO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001303748006 1073948224 /nfs/dbraw/zinc/94/82/24/1073948224.db2.gz VOGJRQZOFYTBPL-RBSFLKMASA-N 1 0 427.575 -0.068 20 0 IBADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)C[NH+]1CCCCC1 ZINC001303751254 1073948092 /nfs/dbraw/zinc/94/80/92/1073948092.db2.gz IKCRVKISFLGUJW-CABCVRRESA-N 1 0 427.575 -0.054 20 0 IBADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)C[NH+]1CCCCC1 ZINC001303751255 1073947971 /nfs/dbraw/zinc/94/79/71/1073947971.db2.gz IKCRVKISFLGUJW-GJZGRUSLSA-N 1 0 427.575 -0.054 20 0 IBADRO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)C1)C[NH+]1CCCCC1 ZINC001303751256 1073948081 /nfs/dbraw/zinc/94/80/81/1073948081.db2.gz IKCRVKISFLGUJW-HUUCEWRRSA-N 1 0 427.575 -0.054 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303751257 1073948015 /nfs/dbraw/zinc/94/80/15/1073948015.db2.gz IKCRVKISFLGUJW-LSDHHAIUSA-N 1 0 427.575 -0.054 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001303809053 1073950294 /nfs/dbraw/zinc/95/02/94/1073950294.db2.gz OOPRNWDEGZQJJL-KBPBESRZSA-N 1 0 448.615 -0.004 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001303809054 1073950367 /nfs/dbraw/zinc/95/03/67/1073950367.db2.gz OOPRNWDEGZQJJL-KGLIPLIRSA-N 1 0 448.615 -0.004 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001303809055 1073950333 /nfs/dbraw/zinc/95/03/33/1073950333.db2.gz OOPRNWDEGZQJJL-UONOGXRCSA-N 1 0 448.615 -0.004 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001303809056 1073950307 /nfs/dbraw/zinc/95/03/07/1073950307.db2.gz OOPRNWDEGZQJJL-ZIAGYGMSSA-N 1 0 448.615 -0.004 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCS(C)(=O)=O)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001303820194 1073951476 /nfs/dbraw/zinc/95/14/76/1073951476.db2.gz LGTHTRXGMVHYMW-KBPBESRZSA-N 1 0 448.615 -0.147 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCS(C)(=O)=O)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001303820195 1073951293 /nfs/dbraw/zinc/95/12/93/1073951293.db2.gz LGTHTRXGMVHYMW-KGLIPLIRSA-N 1 0 448.615 -0.147 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001303820196 1073951452 /nfs/dbraw/zinc/95/14/52/1073951452.db2.gz LGTHTRXGMVHYMW-UONOGXRCSA-N 1 0 448.615 -0.147 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001303820197 1073951913 /nfs/dbraw/zinc/95/19/13/1073951913.db2.gz LGTHTRXGMVHYMW-ZIAGYGMSSA-N 1 0 448.615 -0.147 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001303827520 1073953042 /nfs/dbraw/zinc/95/30/42/1073953042.db2.gz HYJRABQYUCEYFT-WPKBUWHJSA-N 1 0 427.575 -0.070 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001303827522 1073952977 /nfs/dbraw/zinc/95/29/77/1073952977.db2.gz HYJRABQYUCEYFT-WRSAYESZSA-N 1 0 427.575 -0.070 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303827523 1073953034 /nfs/dbraw/zinc/95/30/34/1073953034.db2.gz HYJRABQYUCEYFT-XAYKYTGQSA-N 1 0 427.575 -0.070 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303827524 1073953018 /nfs/dbraw/zinc/95/30/18/1073953018.db2.gz HYJRABQYUCEYFT-YEWDVWPNSA-N 1 0 427.575 -0.070 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC[NH+]1CCCC1 ZINC001303828319 1073953617 /nfs/dbraw/zinc/95/36/17/1073953617.db2.gz ULGSFCKYHQSEMV-KKUMJFAQSA-N 1 0 425.559 -0.301 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CC[NH+]1CCCC1 ZINC001303828335 1073953413 /nfs/dbraw/zinc/95/34/13/1073953413.db2.gz ULGSFCKYHQSEMV-RRFJBIMHSA-N 1 0 425.559 -0.301 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC[NH+]1CCCC1 ZINC001303828336 1073953475 /nfs/dbraw/zinc/95/34/75/1073953475.db2.gz ULGSFCKYHQSEMV-SOUVJXGZSA-N 1 0 425.559 -0.301 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CC[NH+]1CCCC1 ZINC001303828337 1073953466 /nfs/dbraw/zinc/95/34/66/1073953466.db2.gz ULGSFCKYHQSEMV-ZNMIVQPWSA-N 1 0 425.559 -0.301 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[NH+]1CCSCC1 ZINC001303829252 1073954129 /nfs/dbraw/zinc/95/41/29/1073954129.db2.gz RCNPJQLHVLTXGP-CYBMUJFWSA-N 1 0 445.615 -0.361 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC[NH+]1CCSCC1 ZINC001303829253 1073954100 /nfs/dbraw/zinc/95/41/00/1073954100.db2.gz RCNPJQLHVLTXGP-ZDUSSCGKSA-N 1 0 445.615 -0.361 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001303839763 1073954507 /nfs/dbraw/zinc/95/45/07/1073954507.db2.gz AMSMKRCAKAODBL-AEGPPILISA-N 1 0 448.615 -0.148 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303839768 1073954560 /nfs/dbraw/zinc/95/45/60/1073954560.db2.gz AMSMKRCAKAODBL-CFVMTHIKSA-N 1 0 448.615 -0.148 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001303839770 1073954524 /nfs/dbraw/zinc/95/45/24/1073954524.db2.gz AMSMKRCAKAODBL-NWANDNLSSA-N 1 0 448.615 -0.148 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001303839771 1073954478 /nfs/dbraw/zinc/95/44/78/1073954478.db2.gz AMSMKRCAKAODBL-QEJZJMRPSA-N 1 0 448.615 -0.148 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCCC1 ZINC001303843599 1073955030 /nfs/dbraw/zinc/95/50/30/1073955030.db2.gz YPVPTYYOJNPGAH-CABCVRRESA-N 1 0 448.615 -0.003 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCCC1 ZINC001303843600 1073955599 /nfs/dbraw/zinc/95/55/99/1073955599.db2.gz YPVPTYYOJNPGAH-GJZGRUSLSA-N 1 0 448.615 -0.003 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCCC1 ZINC001303843601 1073955804 /nfs/dbraw/zinc/95/58/04/1073955804.db2.gz YPVPTYYOJNPGAH-HUUCEWRRSA-N 1 0 448.615 -0.003 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCCC1 ZINC001303843602 1073955625 /nfs/dbraw/zinc/95/56/25/1073955625.db2.gz YPVPTYYOJNPGAH-LSDHHAIUSA-N 1 0 448.615 -0.003 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[NH+]1CCSCC1 ZINC001303856009 1073956340 /nfs/dbraw/zinc/95/63/40/1073956340.db2.gz DBKRRGWMHWXTCQ-KBPBESRZSA-N 1 0 445.615 -0.361 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[NH+]1CCSCC1 ZINC001303856010 1073956374 /nfs/dbraw/zinc/95/63/74/1073956374.db2.gz DBKRRGWMHWXTCQ-KGLIPLIRSA-N 1 0 445.615 -0.361 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001303857398 1073956237 /nfs/dbraw/zinc/95/62/37/1073956237.db2.gz HDKFRCYFLODWEN-CABCVRRESA-N 1 0 425.559 -0.148 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001303857399 1073956265 /nfs/dbraw/zinc/95/62/65/1073956265.db2.gz HDKFRCYFLODWEN-GJZGRUSLSA-N 1 0 425.559 -0.148 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001303859112 1073956807 /nfs/dbraw/zinc/95/68/07/1073956807.db2.gz IJCSARZTLBSAHE-AWEZNQCLSA-N 1 0 443.574 -0.723 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001303859113 1073956795 /nfs/dbraw/zinc/95/67/95/1073956795.db2.gz IJCSARZTLBSAHE-CQSZACIVSA-N 1 0 443.574 -0.723 20 0 IBADRO CC(C)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)CC1 ZINC001303859184 1073956787 /nfs/dbraw/zinc/95/67/87/1073956787.db2.gz KCKZBMLYZKOYKS-HNNXBMFYSA-N 1 0 443.574 -0.723 20 0 IBADRO CC(C)[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)N2CCOCC2)CC1 ZINC001303859185 1073956811 /nfs/dbraw/zinc/95/68/11/1073956811.db2.gz KCKZBMLYZKOYKS-OAHLLOKOSA-N 1 0 443.574 -0.723 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303860971 1073957228 /nfs/dbraw/zinc/95/72/28/1073957228.db2.gz CFFDSAUWDNAKMY-UONOGXRCSA-N 1 0 425.559 -0.159 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303860973 1073957291 /nfs/dbraw/zinc/95/72/91/1073957291.db2.gz CFFDSAUWDNAKMY-ZIAGYGMSSA-N 1 0 425.559 -0.159 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(C)(C)O ZINC001303864702 1073957785 /nfs/dbraw/zinc/95/77/85/1073957785.db2.gz GCGFYDMNWLMWHX-CABCVRRESA-N 1 0 430.575 -0.182 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(C)(C)O ZINC001303864703 1073957779 /nfs/dbraw/zinc/95/77/79/1073957779.db2.gz GCGFYDMNWLMWHX-GJZGRUSLSA-N 1 0 430.575 -0.182 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(C)(C)O ZINC001303864704 1073957791 /nfs/dbraw/zinc/95/77/91/1073957791.db2.gz GCGFYDMNWLMWHX-HUUCEWRRSA-N 1 0 430.575 -0.182 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(C)(C)O ZINC001303864705 1073957729 /nfs/dbraw/zinc/95/77/29/1073957729.db2.gz GCGFYDMNWLMWHX-LSDHHAIUSA-N 1 0 430.575 -0.182 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@]1(O)CCOC1 ZINC001303864970 1073957736 /nfs/dbraw/zinc/95/77/36/1073957736.db2.gz KGCYKQUZDCOOHS-KBXCAEBGSA-N 1 0 428.559 -0.428 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001303864971 1073958311 /nfs/dbraw/zinc/95/83/11/1073958311.db2.gz KGCYKQUZDCOOHS-KDOFPFPSSA-N 1 0 428.559 -0.428 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001303864972 1073958163 /nfs/dbraw/zinc/95/81/63/1073958163.db2.gz KGCYKQUZDCOOHS-KSSFIOAISA-N 1 0 428.559 -0.428 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@]1(O)CCOC1 ZINC001303864973 1073958355 /nfs/dbraw/zinc/95/83/55/1073958355.db2.gz KGCYKQUZDCOOHS-RDTXWAMCSA-N 1 0 428.559 -0.428 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303865442 1073958283 /nfs/dbraw/zinc/95/82/83/1073958283.db2.gz AMUDVLMKKJSLBP-BLLLJJGKSA-N 1 0 431.588 -0.738 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303865443 1073958344 /nfs/dbraw/zinc/95/83/44/1073958344.db2.gz AMUDVLMKKJSLBP-LRDDRELGSA-N 1 0 431.588 -0.738 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303865444 1073958218 /nfs/dbraw/zinc/95/82/18/1073958218.db2.gz AMUDVLMKKJSLBP-MLGOLLRUSA-N 1 0 431.588 -0.738 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303865445 1073958257 /nfs/dbraw/zinc/95/82/57/1073958257.db2.gz AMUDVLMKKJSLBP-WBMJQRKESA-N 1 0 431.588 -0.738 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCNC(=O)C1CC1 ZINC001303865517 1073958378 /nfs/dbraw/zinc/95/83/78/1073958378.db2.gz SLEFMNFDGBZAEC-AWEZNQCLSA-N 1 0 439.586 -0.054 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCNC(=O)C1CC1 ZINC001303865518 1073958327 /nfs/dbraw/zinc/95/83/27/1073958327.db2.gz SLEFMNFDGBZAEC-CQSZACIVSA-N 1 0 439.586 -0.054 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CC[NH+]1CCSCC1 ZINC001303866118 1073958734 /nfs/dbraw/zinc/95/87/34/1073958734.db2.gz GJLJYZLHVPETRV-CYBMUJFWSA-N 1 0 431.588 -0.737 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CC[NH+]1CCSCC1 ZINC001303866119 1073958653 /nfs/dbraw/zinc/95/86/53/1073958653.db2.gz GJLJYZLHVPETRV-ZDUSSCGKSA-N 1 0 431.588 -0.737 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001303866246 1073958661 /nfs/dbraw/zinc/95/86/61/1073958661.db2.gz HHPYQFWHXQUUME-KBPBESRZSA-N 1 0 442.590 -0.310 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001303866249 1073958716 /nfs/dbraw/zinc/95/87/16/1073958716.db2.gz HHPYQFWHXQUUME-KGLIPLIRSA-N 1 0 442.590 -0.310 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001303866251 1073958686 /nfs/dbraw/zinc/95/86/86/1073958686.db2.gz HHPYQFWHXQUUME-UONOGXRCSA-N 1 0 442.590 -0.310 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)C[NH+](C)C ZINC001303866255 1073958742 /nfs/dbraw/zinc/95/87/42/1073958742.db2.gz HHPYQFWHXQUUME-ZIAGYGMSSA-N 1 0 442.590 -0.310 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCCC[NH+]1CCOCC1 ZINC001303867583 1073959754 /nfs/dbraw/zinc/95/97/54/1073959754.db2.gz QRFPIMITLLZCAO-HNNXBMFYSA-N 1 0 443.574 -0.673 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)CC2)n1CCCC[NH+]1CCOCC1 ZINC001303867584 1073959731 /nfs/dbraw/zinc/95/97/31/1073959731.db2.gz QRFPIMITLLZCAO-OAHLLOKOSA-N 1 0 443.574 -0.673 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H]1COCCO1 ZINC001303868915 1073960823 /nfs/dbraw/zinc/96/08/23/1073960823.db2.gz YMXRRDMZPCDYIQ-ARFHVFGLSA-N 1 0 428.559 -0.022 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H]1COCCO1 ZINC001303868916 1073960843 /nfs/dbraw/zinc/96/08/43/1073960843.db2.gz YMXRRDMZPCDYIQ-HRCADAONSA-N 1 0 428.559 -0.022 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H]1COCCO1 ZINC001303868917 1073960695 /nfs/dbraw/zinc/96/06/95/1073960695.db2.gz YMXRRDMZPCDYIQ-JYJNAYRXSA-N 1 0 428.559 -0.022 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H]1COCCO1 ZINC001303868918 1073960742 /nfs/dbraw/zinc/96/07/42/1073960742.db2.gz YMXRRDMZPCDYIQ-XHSDSOJGSA-N 1 0 428.559 -0.022 20 0 IBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001303869242 1073960720 /nfs/dbraw/zinc/96/07/20/1073960720.db2.gz ZVXGJRGWWCEGMX-CABCVRRESA-N 1 0 442.590 -0.216 20 0 IBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001303869260 1073960763 /nfs/dbraw/zinc/96/07/63/1073960763.db2.gz ZVXGJRGWWCEGMX-GJZGRUSLSA-N 1 0 442.590 -0.216 20 0 IBADRO CC(C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001303869262 1073960788 /nfs/dbraw/zinc/96/07/88/1073960788.db2.gz ZVXGJRGWWCEGMX-HUUCEWRRSA-N 1 0 442.590 -0.216 20 0 IBADRO CC(C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001303869265 1073960880 /nfs/dbraw/zinc/96/08/80/1073960880.db2.gz ZVXGJRGWWCEGMX-LSDHHAIUSA-N 1 0 442.590 -0.216 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[NH+]1CCCCC1 ZINC001303869452 1073960809 /nfs/dbraw/zinc/96/08/09/1073960809.db2.gz ACNWONOKODTQJR-HNNXBMFYSA-N 1 0 448.615 -0.001 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[NH+]1CCCCC1 ZINC001303869489 1073960868 /nfs/dbraw/zinc/96/08/68/1073960868.db2.gz ACNWONOKODTQJR-OAHLLOKOSA-N 1 0 448.615 -0.001 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001303871736 1073961293 /nfs/dbraw/zinc/96/12/93/1073961293.db2.gz KLBDZQIDLHOLMZ-AWEZNQCLSA-N 1 0 448.615 -0.432 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001303871754 1073961383 /nfs/dbraw/zinc/96/13/83/1073961383.db2.gz KLBDZQIDLHOLMZ-CQSZACIVSA-N 1 0 448.615 -0.432 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001303873100 1073961806 /nfs/dbraw/zinc/96/18/06/1073961806.db2.gz UKIDGKGCAVBMGF-AWEZNQCLSA-N 1 0 448.615 -0.003 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001303873102 1073961736 /nfs/dbraw/zinc/96/17/36/1073961736.db2.gz UKIDGKGCAVBMGF-CQSZACIVSA-N 1 0 448.615 -0.003 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303875623 1073962391 /nfs/dbraw/zinc/96/23/91/1073962391.db2.gz MEXDNQFYIZKMGN-INMHGKMJSA-N 1 0 444.602 -0.058 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303875625 1073962397 /nfs/dbraw/zinc/96/23/97/1073962397.db2.gz MEXDNQFYIZKMGN-VYDXJSESSA-N 1 0 444.602 -0.058 20 0 IBADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303876385 1073962415 /nfs/dbraw/zinc/96/24/15/1073962415.db2.gz GEPOOFZFFCWDHN-BMFZPTHFSA-N 1 0 444.558 -0.703 20 0 IBADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303876400 1073962274 /nfs/dbraw/zinc/96/22/74/1073962274.db2.gz GEPOOFZFFCWDHN-CWRNSKLLSA-N 1 0 444.558 -0.703 20 0 IBADRO CC[NH+]1CCN(C2CN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC001304054205 1073965975 /nfs/dbraw/zinc/96/59/75/1073965975.db2.gz JJOCPJMKXVFTFW-HNNXBMFYSA-N 1 0 435.550 -0.465 20 0 IBADRO CC[NH+]1CCN(C2CN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC001304054206 1073965992 /nfs/dbraw/zinc/96/59/92/1073965992.db2.gz JJOCPJMKXVFTFW-OAHLLOKOSA-N 1 0 435.550 -0.465 20 0 IBADRO CC[NH+]1CCN(C2CN(C(=O)[C@@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC001304054860 1073966632 /nfs/dbraw/zinc/96/66/32/1073966632.db2.gz ZZPCHMGKFLWIJY-GOSISDBHSA-N 1 0 427.505 -0.235 20 0 IBADRO CC[NH+]1CCN(C2CN(C(=O)[C@H](CCC(N)=O)N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC001304054870 1073966614 /nfs/dbraw/zinc/96/66/14/1073966614.db2.gz ZZPCHMGKFLWIJY-SFHVURJKSA-N 1 0 427.505 -0.235 20 0 IBADRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001304059493 1073966507 /nfs/dbraw/zinc/96/65/07/1073966507.db2.gz 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/nfs/dbraw/zinc/05/17/41/1074051741.db2.gz NUBQFMZAKBHJTM-IXDOHACOSA-N 1 0 441.602 -0.249 20 0 IBADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@@H]3C2)C1 ZINC001313884309 1074051497 /nfs/dbraw/zinc/05/14/97/1074051497.db2.gz NUBQFMZAKBHJTM-ULQDDVLXSA-N 1 0 441.602 -0.249 20 0 IBADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3CCOC[C@H]3C2)C1 ZINC001313884310 1074051675 /nfs/dbraw/zinc/05/16/75/1074051675.db2.gz NUBQFMZAKBHJTM-YESZJQIVSA-N 1 0 441.602 -0.249 20 0 IBADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001313886609 1074051819 /nfs/dbraw/zinc/05/18/19/1074051819.db2.gz DOTUQLORBVTQRL-CVEARBPZSA-N 1 0 439.586 -0.017 20 0 IBADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001313886610 1074051311 /nfs/dbraw/zinc/05/13/11/1074051311.db2.gz DOTUQLORBVTQRL-HOTGVXAUSA-N 1 0 439.586 -0.017 20 0 IBADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001313886611 1074051794 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ZINC001313893398 1074051703 /nfs/dbraw/zinc/05/17/03/1074051703.db2.gz NHGVSHJZODVFCJ-ZNMIVQPWSA-N 1 0 448.615 -0.004 20 0 IBADRO CC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001313894991 1074051609 /nfs/dbraw/zinc/05/16/09/1074051609.db2.gz KKBUGGVBBFXCHR-INIZCTEOSA-N 1 0 439.586 -0.176 20 0 IBADRO CC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001313894995 1074051783 /nfs/dbraw/zinc/05/17/83/1074051783.db2.gz KKBUGGVBBFXCHR-MRXNPFEDSA-N 1 0 439.586 -0.176 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001313897073 1074051369 /nfs/dbraw/zinc/05/13/69/1074051369.db2.gz IQIZEEJEWLKETF-KFWWJZLASA-N 1 0 448.615 -0.004 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001313897074 1074051470 /nfs/dbraw/zinc/05/14/70/1074051470.db2.gz IQIZEEJEWLKETF-RBSFLKMASA-N 1 0 448.615 -0.004 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001313897075 1074051441 /nfs/dbraw/zinc/05/14/41/1074051441.db2.gz IQIZEEJEWLKETF-RRFJBIMHSA-N 1 0 448.615 -0.004 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001313897076 1074051589 /nfs/dbraw/zinc/05/15/89/1074051589.db2.gz IQIZEEJEWLKETF-ZNMIVQPWSA-N 1 0 448.615 -0.004 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001313901058 1074051347 /nfs/dbraw/zinc/05/13/47/1074051347.db2.gz UWPWRYLOZGAVER-CABCVRRESA-N 1 0 441.558 -0.969 20 0 IBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001313901072 1074052172 /nfs/dbraw/zinc/05/21/72/1074052172.db2.gz UWPWRYLOZGAVER-GJZGRUSLSA-N 1 0 441.558 -0.969 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001313901075 1074052213 /nfs/dbraw/zinc/05/22/13/1074052213.db2.gz UWPWRYLOZGAVER-HUUCEWRRSA-N 1 0 441.558 -0.969 20 0 IBADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001313901077 1074052195 /nfs/dbraw/zinc/05/21/95/1074052195.db2.gz UWPWRYLOZGAVER-LSDHHAIUSA-N 1 0 441.558 -0.969 20 0 IBADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001313906374 1074052005 /nfs/dbraw/zinc/05/20/05/1074052005.db2.gz QPBJNDYBWIJMSN-CVEARBPZSA-N 1 0 446.556 -0.562 20 0 IBADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001313906382 1074052107 /nfs/dbraw/zinc/05/21/07/1074052107.db2.gz QPBJNDYBWIJMSN-HOTGVXAUSA-N 1 0 446.556 -0.562 20 0 IBADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001313906384 1074052062 /nfs/dbraw/zinc/05/20/62/1074052062.db2.gz QPBJNDYBWIJMSN-HZPDHXFCSA-N 1 0 446.556 -0.562 20 0 IBADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001313906387 1074051986 /nfs/dbraw/zinc/05/19/86/1074051986.db2.gz QPBJNDYBWIJMSN-JKSUJKDBSA-N 1 0 446.556 -0.562 20 0 IBADRO CC[N@@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O ZINC001313906439 1074051969 /nfs/dbraw/zinc/05/19/69/1074051969.db2.gz YWQSGVQCAZBFLA-HNNXBMFYSA-N 1 0 427.575 -0.130 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCNS(C)(=O)=O ZINC001313906440 1074052134 /nfs/dbraw/zinc/05/21/34/1074052134.db2.gz YWQSGVQCAZBFLA-OAHLLOKOSA-N 1 0 427.575 -0.130 20 0 IBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001313926613 1074052533 /nfs/dbraw/zinc/05/25/33/1074052533.db2.gz FAFUCUPOWIHOJQ-BRWVUGGUSA-N 1 0 432.573 -0.078 20 0 IBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001313926614 1074052559 /nfs/dbraw/zinc/05/25/59/1074052559.db2.gz FAFUCUPOWIHOJQ-IKGGRYGDSA-N 1 0 432.573 -0.078 20 0 IBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001313926615 1074052619 /nfs/dbraw/zinc/05/26/19/1074052619.db2.gz FAFUCUPOWIHOJQ-IXDOHACOSA-N 1 0 432.573 -0.078 20 0 IBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001313926616 1074052689 /nfs/dbraw/zinc/05/26/89/1074052689.db2.gz FAFUCUPOWIHOJQ-ZACQAIPSSA-N 1 0 432.573 -0.078 20 0 IBADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001313934939 1074053261 /nfs/dbraw/zinc/05/32/61/1074053261.db2.gz VHFFQDDQNBOMLS-HNNXBMFYSA-N 1 0 427.575 -0.016 20 0 IBADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001313935275 1074053296 /nfs/dbraw/zinc/05/32/96/1074053296.db2.gz VHFFQDDQNBOMLS-OAHLLOKOSA-N 1 0 427.575 -0.016 20 0 IBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313941619 1074053186 /nfs/dbraw/zinc/05/31/86/1074053186.db2.gz NGKRDKAJBCMJNH-AEFFLSMTSA-N 1 0 432.573 -0.076 20 0 IBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313941628 1074053085 /nfs/dbraw/zinc/05/30/85/1074053085.db2.gz NGKRDKAJBCMJNH-FUHWJXTLSA-N 1 0 432.573 -0.076 20 0 IBADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313941630 1074053317 /nfs/dbraw/zinc/05/33/17/1074053317.db2.gz NGKRDKAJBCMJNH-SJLPKXTDSA-N 1 0 432.573 -0.076 20 0 IBADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313941632 1074052931 /nfs/dbraw/zinc/05/29/31/1074052931.db2.gz NGKRDKAJBCMJNH-WMZOPIPTSA-N 1 0 432.573 -0.076 20 0 IBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ncn(C)n3)C2)CC1 ZINC001313944150 1074053228 /nfs/dbraw/zinc/05/32/28/1074053228.db2.gz XVXYRTICGMZAAG-INIZCTEOSA-N 1 0 430.561 -0.191 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ncn(C)n3)C2)CC1 ZINC001313944158 1074053354 /nfs/dbraw/zinc/05/33/54/1074053354.db2.gz XVXYRTICGMZAAG-MRXNPFEDSA-N 1 0 430.561 -0.191 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946204 1074053127 /nfs/dbraw/zinc/05/31/27/1074053127.db2.gz ACFRCEYFFARUNI-DLBZAZTESA-N 1 0 441.602 -0.453 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946205 1074053165 /nfs/dbraw/zinc/05/31/65/1074053165.db2.gz ACFRCEYFFARUNI-IAGOWNOFSA-N 1 0 441.602 -0.453 20 0 IBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCOC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946206 1074053341 /nfs/dbraw/zinc/05/33/41/1074053341.db2.gz ACFRCEYFFARUNI-IRXDYDNUSA-N 1 0 441.602 -0.453 20 0 IBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946207 1074053016 /nfs/dbraw/zinc/05/30/16/1074053016.db2.gz ACFRCEYFFARUNI-SJORKVTESA-N 1 0 441.602 -0.453 20 0 IBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NC(C)C)C2)CC1 ZINC001313948870 1074052982 /nfs/dbraw/zinc/05/29/82/1074052982.db2.gz UFFPTPNHQOUMNI-DLBZAZTESA-N 1 0 432.573 -0.030 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(=O)NC(C)C)C2)CC1 ZINC001313948875 1074053212 /nfs/dbraw/zinc/05/32/12/1074053212.db2.gz UFFPTPNHQOUMNI-IAGOWNOFSA-N 1 0 432.573 -0.030 20 0 IBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NC(C)C)C2)CC1 ZINC001313948876 1074052885 /nfs/dbraw/zinc/05/28/85/1074052885.db2.gz UFFPTPNHQOUMNI-IRXDYDNUSA-N 1 0 432.573 -0.030 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(=O)NC(C)C)C2)CC1 ZINC001313948877 1074053149 /nfs/dbraw/zinc/05/31/49/1074053149.db2.gz UFFPTPNHQOUMNI-SJORKVTESA-N 1 0 432.573 -0.030 20 0 IBADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001313949943 1074053724 /nfs/dbraw/zinc/05/37/24/1074053724.db2.gz PNIRWWCVVXQAPV-DLBZAZTESA-N 1 0 441.602 -0.105 20 0 IBADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001313949944 1074053697 /nfs/dbraw/zinc/05/36/97/1074053697.db2.gz PNIRWWCVVXQAPV-IAGOWNOFSA-N 1 0 441.602 -0.105 20 0 IBADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001313952149 1074053671 /nfs/dbraw/zinc/05/36/71/1074053671.db2.gz NRPBYSKUDLQOJY-GOSISDBHSA-N 1 0 446.600 -0.034 20 0 IBADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001313952150 1074053784 /nfs/dbraw/zinc/05/37/84/1074053784.db2.gz NRPBYSKUDLQOJY-SFHVURJKSA-N 1 0 446.600 -0.034 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001313954772 1074053804 /nfs/dbraw/zinc/05/38/04/1074053804.db2.gz CKVRZXSFTQBZAU-MSOLQXFVSA-N 1 0 446.600 -0.014 20 0 IBADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001313954783 1074053679 /nfs/dbraw/zinc/05/36/79/1074053679.db2.gz CKVRZXSFTQBZAU-QZTJIDSGSA-N 1 0 446.600 -0.014 20 0 IBADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001313954785 1074053766 /nfs/dbraw/zinc/05/37/66/1074053766.db2.gz CKVRZXSFTQBZAU-ROUUACIJSA-N 1 0 446.600 -0.014 20 0 IBADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001313954787 1074053865 /nfs/dbraw/zinc/05/38/65/1074053865.db2.gz CKVRZXSFTQBZAU-ZWKOTPCHSA-N 1 0 446.600 -0.014 20 0 IBADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)CC1 ZINC001313954969 1074053895 /nfs/dbraw/zinc/05/38/95/1074053895.db2.gz RBKXVJBXEDSFBT-KRWDZBQOSA-N 1 0 432.573 -0.027 20 0 IBADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)CC1 ZINC001313954970 1074053974 /nfs/dbraw/zinc/05/39/74/1074053974.db2.gz RBKXVJBXEDSFBT-QGZVFWFLSA-N 1 0 432.573 -0.027 20 0 IBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001313956788 1074053755 /nfs/dbraw/zinc/05/37/55/1074053755.db2.gz LEKBONNAEPXLNX-KRWDZBQOSA-N 1 0 432.573 -0.042 20 0 IBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001313956792 1074054023 /nfs/dbraw/zinc/05/40/23/1074054023.db2.gz LEKBONNAEPXLNX-QGZVFWFLSA-N 1 0 432.573 -0.042 20 0 IBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001313956950 1074053997 /nfs/dbraw/zinc/05/39/97/1074053997.db2.gz NTSQALQZWNWJDO-DLBZAZTESA-N 1 0 432.573 -0.042 20 0 IBADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001313956951 1074053830 /nfs/dbraw/zinc/05/38/30/1074053830.db2.gz NTSQALQZWNWJDO-IAGOWNOFSA-N 1 0 432.573 -0.042 20 0 IBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001313956952 1074053945 /nfs/dbraw/zinc/05/39/45/1074053945.db2.gz NTSQALQZWNWJDO-IRXDYDNUSA-N 1 0 432.573 -0.042 20 0 IBADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001313956953 1074053913 /nfs/dbraw/zinc/05/39/13/1074053913.db2.gz NTSQALQZWNWJDO-SJORKVTESA-N 1 0 432.573 -0.042 20 0 IBADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001313960959 1074053736 /nfs/dbraw/zinc/05/37/36/1074053736.db2.gz QONLFVLWHYWGNW-KRWDZBQOSA-N 1 0 432.573 -0.424 20 0 IBADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001313960960 1074053657 /nfs/dbraw/zinc/05/36/57/1074053657.db2.gz QONLFVLWHYWGNW-QGZVFWFLSA-N 1 0 432.573 -0.424 20 0 IBADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001313961930 1074053746 /nfs/dbraw/zinc/05/37/46/1074053746.db2.gz ZMMPOMSJZPTNDW-KRWDZBQOSA-N 1 0 432.573 -0.260 20 0 IBADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001313961931 1074053711 /nfs/dbraw/zinc/05/37/11/1074053711.db2.gz ZMMPOMSJZPTNDW-QGZVFWFLSA-N 1 0 432.573 -0.260 20 0 IBADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001313990133 1074055075 /nfs/dbraw/zinc/05/50/75/1074055075.db2.gz JBGLBKAVMYAYLR-GOSISDBHSA-N 1 0 449.600 -0.113 20 0 IBADRO CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001313990134 1074055112 /nfs/dbraw/zinc/05/51/12/1074055112.db2.gz JBGLBKAVMYAYLR-SFHVURJKSA-N 1 0 449.600 -0.113 20 0 IBADRO CCNC(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001313990905 1074055385 /nfs/dbraw/zinc/05/53/85/1074055385.db2.gz MKDIDFXHNTVQCJ-NRFANRHFSA-N 1 0 428.541 -0.335 20 0 IBADRO CCNC(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001313990906 1074055552 /nfs/dbraw/zinc/05/55/52/1074055552.db2.gz MKDIDFXHNTVQCJ-OAQYLSRUSA-N 1 0 428.541 -0.335 20 0 IBADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCC2)CC1 ZINC001313992378 1074055803 /nfs/dbraw/zinc/05/58/03/1074055803.db2.gz RASXSAPEUPACON-KRWDZBQOSA-N 1 0 432.573 -0.027 20 0 IBADRO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCC2)CC1 ZINC001313992379 1074055837 /nfs/dbraw/zinc/05/58/37/1074055837.db2.gz RASXSAPEUPACON-QGZVFWFLSA-N 1 0 432.573 -0.027 20 0 IBADRO CCO[C@]1(c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001314109808 1074058931 /nfs/dbraw/zinc/05/89/31/1074058931.db2.gz RJHHLPDADYMJGJ-NJDAHSKKSA-N 1 0 436.557 -0.041 20 0 IBADRO CCO[C@]1(c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001314109809 1074058944 /nfs/dbraw/zinc/05/89/44/1074058944.db2.gz RJHHLPDADYMJGJ-PCCBWWKXSA-N 1 0 436.557 -0.041 20 0 IBADRO CCO[C@]1(c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001314109810 1074058846 /nfs/dbraw/zinc/05/88/46/1074058846.db2.gz RJHHLPDADYMJGJ-PWRODBHTSA-N 1 0 436.557 -0.041 20 0 IBADRO CCO[C@]1(c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001314109811 1074058773 /nfs/dbraw/zinc/05/87/73/1074058773.db2.gz RJHHLPDADYMJGJ-QHAWAJNXSA-N 1 0 436.557 -0.041 20 0 IBADRO CCO[C@]1(c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001314141348 1074060048 /nfs/dbraw/zinc/06/00/48/1074060048.db2.gz RPLAHVJWQXVPGW-HRAATJIYSA-N 1 0 449.556 -0.583 20 0 IBADRO CCO[C@@]1(c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001314141349 1074060094 /nfs/dbraw/zinc/06/00/94/1074060094.db2.gz RPLAHVJWQXVPGW-IERDGZPVSA-N 1 0 449.556 -0.583 20 0 IBADRO CCO[C@]1(c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001314141350 1074060181 /nfs/dbraw/zinc/06/01/81/1074060181.db2.gz RPLAHVJWQXVPGW-IIBYNOLFSA-N 1 0 449.556 -0.583 20 0 IBADRO CCO[C@@]1(c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001314141351 1074060067 /nfs/dbraw/zinc/06/00/67/1074060067.db2.gz RPLAHVJWQXVPGW-KKSFZXQISA-N 1 0 449.556 -0.583 20 0 IBADRO CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCS(=O)(=O)NC ZINC001314347861 1074061354 /nfs/dbraw/zinc/06/13/54/1074061354.db2.gz ULRWVHZOKDQOFX-INIZCTEOSA-N 1 0 429.591 -0.420 20 0 IBADRO CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCS(=O)(=O)NC ZINC001314347862 1074061312 /nfs/dbraw/zinc/06/13/12/1074061312.db2.gz ULRWVHZOKDQOFX-MRXNPFEDSA-N 1 0 429.591 -0.420 20 0 IBADRO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCS(=O)(=O)CC ZINC001314383936 1074062169 /nfs/dbraw/zinc/06/21/69/1074062169.db2.gz UOCULZJTJDBXKW-INIZCTEOSA-N 1 0 442.586 -0.008 20 0 IBADRO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCS(=O)(=O)CC ZINC001314383937 1074062143 /nfs/dbraw/zinc/06/21/43/1074062143.db2.gz UOCULZJTJDBXKW-MRXNPFEDSA-N 1 0 442.586 -0.008 20 0 IBADRO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314385856 1074062100 /nfs/dbraw/zinc/06/21/00/1074062100.db2.gz YWZLSIJDSFGOKH-HRAATJIYSA-N 1 0 435.573 -0.330 20 0 IBADRO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314385857 1074062073 /nfs/dbraw/zinc/06/20/73/1074062073.db2.gz YWZLSIJDSFGOKH-IERDGZPVSA-N 1 0 435.573 -0.330 20 0 IBADRO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314385858 1074062115 /nfs/dbraw/zinc/06/21/15/1074062115.db2.gz YWZLSIJDSFGOKH-IIBYNOLFSA-N 1 0 435.573 -0.330 20 0 IBADRO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314385859 1074062159 /nfs/dbraw/zinc/06/21/59/1074062159.db2.gz YWZLSIJDSFGOKH-KKSFZXQISA-N 1 0 435.573 -0.330 20 0 IBADRO CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314394968 1074062483 /nfs/dbraw/zinc/06/24/83/1074062483.db2.gz CCXCEKCHCNAOGU-UHFFFAOYSA-N 1 0 443.618 -0.078 20 0 IBADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001314395059 1074062528 /nfs/dbraw/zinc/06/25/28/1074062528.db2.gz FJIHKRMQTHUVKK-DLBZAZTESA-N 1 0 449.556 -0.538 20 0 IBADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001314395060 1074062549 /nfs/dbraw/zinc/06/25/49/1074062549.db2.gz FJIHKRMQTHUVKK-IAGOWNOFSA-N 1 0 449.556 -0.538 20 0 IBADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001314395061 1074062597 /nfs/dbraw/zinc/06/25/97/1074062597.db2.gz FJIHKRMQTHUVKK-IRXDYDNUSA-N 1 0 449.556 -0.538 20 0 IBADRO CCOCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001314395062 1074062569 /nfs/dbraw/zinc/06/25/69/1074062569.db2.gz FJIHKRMQTHUVKK-SJORKVTESA-N 1 0 449.556 -0.538 20 0 IBADRO CCOCc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001314401105 1074063128 /nfs/dbraw/zinc/06/31/28/1074063128.db2.gz OXVGANKPDMFUFR-DLBZAZTESA-N 1 0 448.572 -0.029 20 0 IBADRO CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001314401106 1074063019 /nfs/dbraw/zinc/06/30/19/1074063019.db2.gz OXVGANKPDMFUFR-IAGOWNOFSA-N 1 0 448.572 -0.029 20 0 IBADRO CCOCc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001314401107 1074063177 /nfs/dbraw/zinc/06/31/77/1074063177.db2.gz OXVGANKPDMFUFR-IRXDYDNUSA-N 1 0 448.572 -0.029 20 0 IBADRO CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001314401108 1074062897 /nfs/dbraw/zinc/06/28/97/1074062897.db2.gz OXVGANKPDMFUFR-SJORKVTESA-N 1 0 448.572 -0.029 20 0 IBADRO CCOC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001314428094 1074063548 /nfs/dbraw/zinc/06/35/48/1074063548.db2.gz AYICQSLCPGDWAM-DAYGRLMNSA-N 1 0 430.575 -0.182 20 0 IBADRO CCOC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001314428096 1074063527 /nfs/dbraw/zinc/06/35/27/1074063527.db2.gz AYICQSLCPGDWAM-HDMKZQKVSA-N 1 0 430.575 -0.182 20 0 IBADRO CCOC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001314428098 1074063421 /nfs/dbraw/zinc/06/34/21/1074063421.db2.gz AYICQSLCPGDWAM-IIDMSEBBSA-N 1 0 430.575 -0.182 20 0 IBADRO CCOC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001314428101 1074063590 /nfs/dbraw/zinc/06/35/90/1074063590.db2.gz AYICQSLCPGDWAM-RKVPGOIHSA-N 1 0 430.575 -0.182 20 0 IBADRO CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001314551166 1074066835 /nfs/dbraw/zinc/06/68/35/1074066835.db2.gz CMFZDPCXLSUHDL-UHFFFAOYSA-N 1 0 439.586 -0.015 20 0 IBADRO CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C(C)C)CC1 ZINC001314564086 1074068605 /nfs/dbraw/zinc/06/86/05/1074068605.db2.gz UECMMDMUDZLEFN-UHFFFAOYSA-N 1 0 427.575 -0.130 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCC2)CC1 ZINC001314642324 1074070553 /nfs/dbraw/zinc/07/05/53/1074070553.db2.gz FBOFNRYOEJMAMH-UHFFFAOYSA-N 1 0 432.573 -0.180 20 0 IBADRO C[NH+](C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001314649206 1074071652 /nfs/dbraw/zinc/07/16/52/1074071652.db2.gz MGWKJUHDDPUJCR-CABCVRRESA-N 1 0 425.559 -0.349 20 0 IBADRO C[NH+](C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001314649207 1074071571 /nfs/dbraw/zinc/07/15/71/1074071571.db2.gz MGWKJUHDDPUJCR-GJZGRUSLSA-N 1 0 425.559 -0.349 20 0 IBADRO C[NH+](C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001314649208 1074071737 /nfs/dbraw/zinc/07/17/37/1074071737.db2.gz MGWKJUHDDPUJCR-HUUCEWRRSA-N 1 0 425.559 -0.349 20 0 IBADRO C[NH+](C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001314649209 1074071557 /nfs/dbraw/zinc/07/15/57/1074071557.db2.gz MGWKJUHDDPUJCR-LSDHHAIUSA-N 1 0 425.559 -0.349 20 0 IBADRO C[NH+](C)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCS(=O)(=O)CC2)CCOCC1 ZINC001314654445 1074071670 /nfs/dbraw/zinc/07/16/70/1074071670.db2.gz RTAOVSWFHLDPFQ-UHFFFAOYSA-N 1 0 440.570 -0.140 20 0 IBADRO C[NH+](C)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 ZINC001314656213 1074071615 /nfs/dbraw/zinc/07/16/15/1074071615.db2.gz ISQSKPWWUILSRC-AWEZNQCLSA-N 1 0 425.559 -0.205 20 0 IBADRO C[NH+](C)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 ZINC001314656218 1074072006 /nfs/dbraw/zinc/07/20/06/1074072006.db2.gz ISQSKPWWUILSRC-CQSZACIVSA-N 1 0 425.559 -0.205 20 0 IBADRO C[NH+](C)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001314656652 1074071969 /nfs/dbraw/zinc/07/19/69/1074071969.db2.gz MLCIRBDYEOAATL-CABCVRRESA-N 1 0 440.570 -0.037 20 0 IBADRO C[NH+](C)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001314656653 1074071939 /nfs/dbraw/zinc/07/19/39/1074071939.db2.gz MLCIRBDYEOAATL-GJZGRUSLSA-N 1 0 440.570 -0.037 20 0 IBADRO C[NH+](C)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001314656654 1074072055 /nfs/dbraw/zinc/07/20/55/1074072055.db2.gz MLCIRBDYEOAATL-HUUCEWRRSA-N 1 0 440.570 -0.037 20 0 IBADRO C[NH+](C)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001314656655 1074071987 /nfs/dbraw/zinc/07/19/87/1074071987.db2.gz MLCIRBDYEOAATL-LSDHHAIUSA-N 1 0 440.570 -0.037 20 0 IBADRO C[NH+](C)[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CCSC1 ZINC001314660969 1074072012 /nfs/dbraw/zinc/07/20/12/1074072012.db2.gz YFKYZRLVWXQNME-KBXCAEBGSA-N 1 0 442.611 -0.056 20 0 IBADRO C[NH+](C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CCSC1 ZINC001314660970 1074072027 /nfs/dbraw/zinc/07/20/27/1074072027.db2.gz YFKYZRLVWXQNME-KDOFPFPSSA-N 1 0 442.611 -0.056 20 0 IBADRO C[NH+](C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CCSC1 ZINC001314660971 1074071980 /nfs/dbraw/zinc/07/19/80/1074071980.db2.gz YFKYZRLVWXQNME-KSSFIOAISA-N 1 0 442.611 -0.056 20 0 IBADRO C[NH+](C)[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCNC(=O)CC2)CCSC1 ZINC001314660973 1074072043 /nfs/dbraw/zinc/07/20/43/1074072043.db2.gz YFKYZRLVWXQNME-RDTXWAMCSA-N 1 0 442.611 -0.056 20 0 IBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001314667399 1074072088 /nfs/dbraw/zinc/07/20/88/1074072088.db2.gz GRNKGPNAHHMBJZ-CVEARBPZSA-N 1 0 433.557 -0.093 20 0 IBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001314667400 1074071963 /nfs/dbraw/zinc/07/19/63/1074071963.db2.gz GRNKGPNAHHMBJZ-HOTGVXAUSA-N 1 0 433.557 -0.093 20 0 IBADRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001314667401 1074071954 /nfs/dbraw/zinc/07/19/54/1074071954.db2.gz GRNKGPNAHHMBJZ-HZPDHXFCSA-N 1 0 433.557 -0.093 20 0 IBADRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001314667402 1074071977 /nfs/dbraw/zinc/07/19/77/1074071977.db2.gz GRNKGPNAHHMBJZ-JKSUJKDBSA-N 1 0 433.557 -0.093 20 0 IBADRO C[NH+](C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 ZINC001314669492 1074071932 /nfs/dbraw/zinc/07/19/32/1074071932.db2.gz AAQLNQJOXLVCAU-UHFFFAOYSA-N 1 0 436.538 -0.137 20 0 IBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001314672679 1074071926 /nfs/dbraw/zinc/07/19/26/1074071926.db2.gz FNFKBCVDQLGTLF-CABCVRRESA-N 1 0 449.599 -0.618 20 0 IBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001314672680 1074072080 /nfs/dbraw/zinc/07/20/80/1074072080.db2.gz FNFKBCVDQLGTLF-GJZGRUSLSA-N 1 0 449.599 -0.618 20 0 IBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001314672681 1074071948 /nfs/dbraw/zinc/07/19/48/1074071948.db2.gz FNFKBCVDQLGTLF-HUUCEWRRSA-N 1 0 449.599 -0.618 20 0 IBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001314672682 1074072023 /nfs/dbraw/zinc/07/20/23/1074072023.db2.gz FNFKBCVDQLGTLF-LSDHHAIUSA-N 1 0 449.599 -0.618 20 0 IBADRO C[NH+](C)CCOCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001314672722 1074071957 /nfs/dbraw/zinc/07/19/57/1074071957.db2.gz SBMHWUMKIUACII-INIZCTEOSA-N 1 0 447.565 -0.344 20 0 IBADRO C[NH+](C)CCOCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001314672723 1074072071 /nfs/dbraw/zinc/07/20/71/1074072071.db2.gz SBMHWUMKIUACII-MRXNPFEDSA-N 1 0 447.565 -0.344 20 0 IBADRO C[NH+](C)CCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001314672740 1074072409 /nfs/dbraw/zinc/07/24/09/1074072409.db2.gz SOLDLILDKGFPPY-UHFFFAOYSA-N 1 0 433.557 -0.264 20 0 IBADRO Cn1cc(N2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)CC2=O)cn1 ZINC001314673263 1074072427 /nfs/dbraw/zinc/07/24/27/1074072427.db2.gz KMTCADMEURYUES-INIZCTEOSA-N 1 0 432.529 -0.053 20 0 IBADRO Cn1cc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)CC2=O)cn1 ZINC001314673264 1074072443 /nfs/dbraw/zinc/07/24/43/1074072443.db2.gz KMTCADMEURYUES-MRXNPFEDSA-N 1 0 432.529 -0.053 20 0 IBADRO C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001314673449 1074072310 /nfs/dbraw/zinc/07/23/10/1074072310.db2.gz PEGKKABPICDQCA-INIZCTEOSA-N 1 0 430.575 -0.168 20 0 IBADRO C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001314673450 1074072376 /nfs/dbraw/zinc/07/23/76/1074072376.db2.gz PEGKKABPICDQCA-MRXNPFEDSA-N 1 0 430.575 -0.168 20 0 IBADRO C[NH+](C)CCOCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001314673675 1074072448 /nfs/dbraw/zinc/07/24/48/1074072448.db2.gz VVORUGJEVXKPGQ-UHFFFAOYSA-N 1 0 437.570 -0.076 20 0 IBADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001314692145 1074073914 /nfs/dbraw/zinc/07/39/14/1074073914.db2.gz WIQPTVQBGFPZBT-JYJNAYRXSA-N 1 0 440.570 -0.301 20 0 IBADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001314692149 1074073868 /nfs/dbraw/zinc/07/38/68/1074073868.db2.gz WIQPTVQBGFPZBT-OAGGEKHMSA-N 1 0 440.570 -0.301 20 0 IBADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[N@@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001314692152 1074073941 /nfs/dbraw/zinc/07/39/41/1074073941.db2.gz WIQPTVQBGFPZBT-PMPSAXMXSA-N 1 0 440.570 -0.301 20 0 IBADRO CN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001314692155 1074073885 /nfs/dbraw/zinc/07/38/85/1074073885.db2.gz WIQPTVQBGFPZBT-XHSDSOJGSA-N 1 0 440.570 -0.301 20 0 IBADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001314873641 1074076375 /nfs/dbraw/zinc/07/63/75/1074076375.db2.gz GXCDEOGQMLUGED-UHFFFAOYSA-N 1 0 440.574 -0.225 20 0 IBADRO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCCO2)n1CCC[NH+]1CCC(O)CC1 ZINC001314875797 1074077087 /nfs/dbraw/zinc/07/70/87/1074077087.db2.gz ULLAWGZQYCRCPU-MRXNPFEDSA-N 1 0 430.575 -0.038 20 0 IBADRO CN(CCNS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1CC1([NH+](C)C)CCC1 ZINC001314875952 1074077022 /nfs/dbraw/zinc/07/70/22/1074077022.db2.gz WBLVVAXEXAIRQZ-UHFFFAOYSA-N 1 0 427.575 -0.130 20 0 IBADRO CN(CCNS(C)(=O)=O)c1nnc(-c2cnccn2)n1CCC[NH+]1CCC(O)CC1 ZINC001314876580 1074077046 /nfs/dbraw/zinc/07/70/46/1074077046.db2.gz YJMWHUPJYKOCMM-UHFFFAOYSA-N 1 0 438.558 -0.433 20 0 IBADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC001314922165 1074078908 /nfs/dbraw/zinc/07/89/08/1074078908.db2.gz AQGMLWWAUWQBFA-CRAIPNDOSA-N 1 0 428.559 -0.334 20 0 IBADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC001314922166 1074078953 /nfs/dbraw/zinc/07/89/53/1074078953.db2.gz AQGMLWWAUWQBFA-MAUKXSAKSA-N 1 0 428.559 -0.334 20 0 IBADRO CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC001314922167 1074078966 /nfs/dbraw/zinc/07/89/66/1074078966.db2.gz AQGMLWWAUWQBFA-QAPCUYQASA-N 1 0 428.559 -0.334 20 0 IBADRO CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1)C1CCC1 ZINC001314922168 1074078842 /nfs/dbraw/zinc/07/88/42/1074078842.db2.gz AQGMLWWAUWQBFA-YJBOKZPZSA-N 1 0 428.559 -0.334 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001314923395 1074078817 /nfs/dbraw/zinc/07/88/17/1074078817.db2.gz CZONNCFMNFYZLN-DLBZAZTESA-N 1 0 449.556 -0.629 20 0 IBADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001314923396 1074078993 /nfs/dbraw/zinc/07/89/93/1074078993.db2.gz CZONNCFMNFYZLN-IAGOWNOFSA-N 1 0 449.556 -0.629 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001314923397 1074079018 /nfs/dbraw/zinc/07/90/18/1074079018.db2.gz CZONNCFMNFYZLN-IRXDYDNUSA-N 1 0 449.556 -0.629 20 0 IBADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001314923398 1074079068 /nfs/dbraw/zinc/07/90/68/1074079068.db2.gz CZONNCFMNFYZLN-SJORKVTESA-N 1 0 449.556 -0.629 20 0 IBADRO CN(CCC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314923669 1074078860 /nfs/dbraw/zinc/07/88/60/1074078860.db2.gz NQHLJVMARRWFRB-APWZRJJASA-N 1 0 442.586 -0.086 20 0 IBADRO CN(CCC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314923671 1074079417 /nfs/dbraw/zinc/07/94/17/1074079417.db2.gz NQHLJVMARRWFRB-LPHOPBHVSA-N 1 0 442.586 -0.086 20 0 IBADRO CN(CCC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314923673 1074079453 /nfs/dbraw/zinc/07/94/53/1074079453.db2.gz NQHLJVMARRWFRB-QFBILLFUSA-N 1 0 442.586 -0.086 20 0 IBADRO CN(CCC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314923675 1074079374 /nfs/dbraw/zinc/07/93/74/1074079374.db2.gz NQHLJVMARRWFRB-VQIMIIECSA-N 1 0 442.586 -0.086 20 0 IBADRO CN(Cc1ncnn1CC(F)F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314924947 1074079428 /nfs/dbraw/zinc/07/94/28/1074079428.db2.gz XWMZVLAMRFUHRC-KPZWWZAWSA-N 1 0 439.471 -0.211 20 0 IBADRO CN(Cc1ncnn1CC(F)F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314924948 1074079501 /nfs/dbraw/zinc/07/95/01/1074079501.db2.gz XWMZVLAMRFUHRC-KZULUSFZSA-N 1 0 439.471 -0.211 20 0 IBADRO CN(Cc1ncnn1CC(F)F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314924949 1074079480 /nfs/dbraw/zinc/07/94/80/1074079480.db2.gz XWMZVLAMRFUHRC-SGTLLEGYSA-N 1 0 439.471 -0.211 20 0 IBADRO CN(Cc1ncnn1CC(F)F)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314924950 1074079299 /nfs/dbraw/zinc/07/92/99/1074079299.db2.gz XWMZVLAMRFUHRC-XIKOKIGWSA-N 1 0 439.471 -0.211 20 0 IBADRO CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccncc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314926362 1074079345 /nfs/dbraw/zinc/07/93/45/1074079345.db2.gz FPKMWMFKRGNVEQ-NRFANRHFSA-N 1 0 429.525 -0.375 20 0 IBADRO CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314926363 1074079323 /nfs/dbraw/zinc/07/93/23/1074079323.db2.gz FPKMWMFKRGNVEQ-OAQYLSRUSA-N 1 0 429.525 -0.375 20 0 IBADRO C[N@@H+]1CC[C@@](O)(Cn2c(Cc3ccccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001314927307 1074079829 /nfs/dbraw/zinc/07/98/29/1074079829.db2.gz KCHRAEOTXBTVOJ-FQEVSTJZSA-N 1 0 449.581 -0.198 20 0 IBADRO C[N@@H+]1CC[C@](O)(Cn2c(Cc3ccccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001314927309 1074079739 /nfs/dbraw/zinc/07/97/39/1074079739.db2.gz KCHRAEOTXBTVOJ-HXUWFJFHSA-N 1 0 449.581 -0.198 20 0 IBADRO CN(CCCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001314928316 1074079879 /nfs/dbraw/zinc/07/98/79/1074079879.db2.gz PINYDYWDALOFPK-GOSISDBHSA-N 1 0 428.559 -0.662 20 0 IBADRO CN(CCCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001314928326 1074079811 /nfs/dbraw/zinc/07/98/11/1074079811.db2.gz 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CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001322145096 1074242240 /nfs/dbraw/zinc/24/22/40/1074242240.db2.gz QWSNTHKGMPOUSA-PKOBYXMFSA-N 1 0 444.598 -0.773 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cnc3c(c(S(C)(=O)=O)nn3C)c2=O)C1 ZINC001322162432 1074242883 /nfs/dbraw/zinc/24/28/83/1074242883.db2.gz IQTJDNISBBAFIU-CYBMUJFWSA-N 1 0 440.526 -0.994 20 0 IBADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnc3c(c(S(C)(=O)=O)nn3C)c2=O)C1 ZINC001322162433 1074242847 /nfs/dbraw/zinc/24/28/47/1074242847.db2.gz IQTJDNISBBAFIU-ZDUSSCGKSA-N 1 0 440.526 -0.994 20 0 IBADRO C[NH+]1CCN(C(C)(C)CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001322234344 1074243238 /nfs/dbraw/zinc/24/32/38/1074243238.db2.gz YRRFLGWTELHLGI-HNNXBMFYSA-N 1 0 437.566 -0.171 20 0 IBADRO C[NH+]1CCN(C(C)(C)CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001322234345 1074243093 /nfs/dbraw/zinc/24/30/93/1074243093.db2.gz YRRFLGWTELHLGI-OAHLLOKOSA-N 1 0 437.566 -0.171 20 0 IBADRO CN1CCC([NH+]2CCC(NC(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)CC1 ZINC001322351152 1074245007 /nfs/dbraw/zinc/24/50/07/1074245007.db2.gz YHJSTKVBOYCJPV-UHFFFAOYSA-N 1 0 428.559 -0.048 20 0 IBADRO COCCC[NH+]1CCC(NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC001322366844 1074244923 /nfs/dbraw/zinc/24/49/23/1074244923.db2.gz AMRDLFCMICMJNM-UHFFFAOYSA-N 1 0 426.495 -0.141 20 0 IBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001322422449 1074245458 /nfs/dbraw/zinc/24/54/58/1074245458.db2.gz CNXRLLVALKOVKC-INIZCTEOSA-N 1 0 429.529 -0.205 20 0 IBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001322422450 1074245410 /nfs/dbraw/zinc/24/54/10/1074245410.db2.gz CNXRLLVALKOVKC-MRXNPFEDSA-N 1 0 429.529 -0.205 20 0 IBADRO COc1c(F)cc(CC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1S(N)(=O)=O ZINC001322458493 1074246275 /nfs/dbraw/zinc/24/62/75/1074246275.db2.gz DFXBENGVJQTDGY-UHFFFAOYSA-N 1 0 444.529 -0.059 20 0 IBADRO CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 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/nfs/dbraw/zinc/24/88/32/1074248832.db2.gz RBZHUJOQNAXGJL-KURKYZTESA-N 1 0 428.599 -0.150 20 0 IBADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001322628227 1074248773 /nfs/dbraw/zinc/24/87/73/1074248773.db2.gz RBZHUJOQNAXGJL-KZNAEPCWSA-N 1 0 428.599 -0.150 20 0 IBADRO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001322628230 1074248935 /nfs/dbraw/zinc/24/89/35/1074248935.db2.gz RBZHUJOQNAXGJL-RCCFBDPRSA-N 1 0 428.599 -0.150 20 0 IBADRO CN1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC3)CC1 ZINC001322775198 1074250683 /nfs/dbraw/zinc/25/06/83/1074250683.db2.gz VTWOJPGELBHQTC-HNNXBMFYSA-N 1 0 429.525 -0.980 20 0 IBADRO CN1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC3)CC1 ZINC001322775199 1074250663 /nfs/dbraw/zinc/25/06/63/1074250663.db2.gz VTWOJPGELBHQTC-OAHLLOKOSA-N 1 0 429.525 -0.980 20 0 IBADRO CCN1CC[NH+](CCCCNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC001322869545 1074251894 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DQBHOUSIZWUZBW-CVEARBPZSA-N 1 0 431.541 -0.692 20 0 IBADRO C[C@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001323190530 1074254399 /nfs/dbraw/zinc/25/43/99/1074254399.db2.gz DQBHOUSIZWUZBW-HOTGVXAUSA-N 1 0 431.541 -0.692 20 0 IBADRO C[C@@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001323190531 1074254461 /nfs/dbraw/zinc/25/44/61/1074254461.db2.gz DQBHOUSIZWUZBW-HZPDHXFCSA-N 1 0 431.541 -0.692 20 0 IBADRO C[C@H]1CN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001323190532 1074254470 /nfs/dbraw/zinc/25/44/70/1074254470.db2.gz DQBHOUSIZWUZBW-JKSUJKDBSA-N 1 0 431.541 -0.692 20 0 IBADRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(=O)n(C)c1=O ZINC001323283164 1074255563 /nfs/dbraw/zinc/25/55/63/1074255563.db2.gz YIKCTUMGSQUTOK-UHFFFAOYSA-N 1 0 435.506 -0.418 20 0 IBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001323333061 1074256323 /nfs/dbraw/zinc/25/63/23/1074256323.db2.gz GPIMQWYCLJHPLM-GDBMZVCRSA-N 1 0 429.539 -0.446 20 0 IBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001323333062 1074256384 /nfs/dbraw/zinc/25/63/84/1074256384.db2.gz GPIMQWYCLJHPLM-GOEBONIOSA-N 1 0 429.539 -0.446 20 0 IBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001323333063 1074256278 /nfs/dbraw/zinc/25/62/78/1074256278.db2.gz GPIMQWYCLJHPLM-HOCLYGCPSA-N 1 0 429.539 -0.446 20 0 IBADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001323333064 1074256335 /nfs/dbraw/zinc/25/63/35/1074256335.db2.gz GPIMQWYCLJHPLM-ZBFHGGJFSA-N 1 0 429.539 -0.446 20 0 IBADRO CN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001323411333 1074257137 /nfs/dbraw/zinc/25/71/37/1074257137.db2.gz LROAGBXHMCGJOT-AWEZNQCLSA-N 1 0 427.527 -0.716 20 0 IBADRO CN(C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001323411336 1074257153 /nfs/dbraw/zinc/25/71/53/1074257153.db2.gz LROAGBXHMCGJOT-CQSZACIVSA-N 1 0 427.527 -0.716 20 0 IBADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(O)CCS(=O)(=O)CC3)cn2)CC1 ZINC001323451198 1074257103 /nfs/dbraw/zinc/25/71/03/1074257103.db2.gz BFUHVWVSRVUMND-UHFFFAOYSA-N 1 0 425.555 -0.038 20 0 IBADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001323518701 1074257987 /nfs/dbraw/zinc/25/79/87/1074257987.db2.gz AIOKGERFKPBGEU-UHFFFAOYSA-N 1 0 425.555 -0.029 20 0 IBADRO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001323522896 1074257955 /nfs/dbraw/zinc/25/79/55/1074257955.db2.gz UVEJHMMPKKYAPC-UHFFFAOYSA-N 1 0 442.538 -0.119 20 0 IBADRO C[NH+](C)CCNC(=O)C1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001323522986 1074257969 /nfs/dbraw/zinc/25/79/69/1074257969.db2.gz QSXRWQODELQTJD-UHFFFAOYSA-N 1 0 435.554 -0.044 20 0 IBADRO CNS(=O)(=O)N1CCC(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC001323544466 1074258355 /nfs/dbraw/zinc/25/83/55/1074258355.db2.gz CMJCUTJZQBEPMA-UHFFFAOYSA-N 1 0 439.586 -0.329 20 0 IBADRO CNS(=O)(=O)N1CCC(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC001323546429 1074258514 /nfs/dbraw/zinc/25/85/14/1074258514.db2.gz QXJILTZJYODKHR-UHFFFAOYSA-N 1 0 425.555 -0.230 20 0 IBADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC2(O)CCS(=O)(=O)CC2)c1 ZINC001323557815 1074258435 /nfs/dbraw/zinc/25/84/35/1074258435.db2.gz OKWCSURKKKYJEL-UHFFFAOYSA-N 1 0 426.539 -0.283 20 0 IBADRO NC(=O)COC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC001323614522 1074259231 /nfs/dbraw/zinc/25/92/31/1074259231.db2.gz VBRGFZJYIVMVEV-UHFFFAOYSA-N 1 0 442.513 -0.375 20 0 IBADRO CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1=O ZINC001323689722 1074259808 /nfs/dbraw/zinc/25/98/08/1074259808.db2.gz CLTAJCGFVKLILZ-HNNXBMFYSA-N 1 0 444.492 -0.472 20 0 IBADRO CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1=O ZINC001323689723 1074259652 /nfs/dbraw/zinc/25/96/52/1074259652.db2.gz CLTAJCGFVKLILZ-OAHLLOKOSA-N 1 0 444.492 -0.472 20 0 IBADRO 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C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cn1 ZINC001444251865 1074436347 /nfs/dbraw/zinc/43/63/47/1074436347.db2.gz GUWDFDMRBWDMNM-INIZCTEOSA-N 1 0 427.465 -0.360 20 0 IBADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CSc2ccc(S(N)(=O)=O)cc2)cn1 ZINC001444257208 1074436484 /nfs/dbraw/zinc/43/64/84/1074436484.db2.gz YUVSMQHPTBWZIN-UHFFFAOYSA-N 1 0 440.551 -0.061 20 0 IBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001444638956 1074438440 /nfs/dbraw/zinc/43/84/40/1074438440.db2.gz MJRUHBJTIQIIAK-DLBZAZTESA-N 1 0 441.573 -0.119 20 0 IBADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001444638969 1074438375 /nfs/dbraw/zinc/43/83/75/1074438375.db2.gz MJRUHBJTIQIIAK-IAGOWNOFSA-N 1 0 441.573 -0.119 20 0 IBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001444638980 1074438332 /nfs/dbraw/zinc/43/83/32/1074438332.db2.gz MJRUHBJTIQIIAK-IRXDYDNUSA-N 1 0 441.573 -0.119 20 0 IBADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001444638989 1074438458 /nfs/dbraw/zinc/43/84/58/1074438458.db2.gz MJRUHBJTIQIIAK-SJORKVTESA-N 1 0 441.573 -0.119 20 0 IBADRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)C[N@@H+]2C1 ZINC001444645859 1074439617 /nfs/dbraw/zinc/43/96/17/1074439617.db2.gz WAWQNOZGNVCTPT-BDXSIMOUSA-N 1 0 426.583 -0.446 20 0 IBADRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)C[N@@H+]2C1 ZINC001444645864 1074439650 /nfs/dbraw/zinc/43/96/50/1074439650.db2.gz WAWQNOZGNVCTPT-OWSLCNJRSA-N 1 0 426.583 -0.446 20 0 IBADRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)C[N@@H+]2C1 ZINC001444645868 1074439463 /nfs/dbraw/zinc/43/94/63/1074439463.db2.gz WAWQNOZGNVCTPT-TVFCKZIOSA-N 1 0 426.583 -0.446 20 0 IBADRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)C[N@@H+]2C1 ZINC001444645872 1074439630 /nfs/dbraw/zinc/43/96/30/1074439630.db2.gz 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PSWBKDXZXBHVJE-MAUKXSAKSA-N 1 0 438.550 -0.276 20 0 IBADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001446556342 1074442587 /nfs/dbraw/zinc/44/25/87/1074442587.db2.gz PSWBKDXZXBHVJE-QAPCUYQASA-N 1 0 438.550 -0.276 20 0 IBADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001446556347 1074442807 /nfs/dbraw/zinc/44/28/07/1074442807.db2.gz PSWBKDXZXBHVJE-YJBOKZPZSA-N 1 0 438.550 -0.276 20 0 IBADRO COc1cc(N)c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1S(C)(=O)=O ZINC001446695238 1074443383 /nfs/dbraw/zinc/44/33/83/1074443383.db2.gz TYIDCUQPQVOCFP-UHFFFAOYSA-N 1 0 427.523 -0.020 20 0 IBADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC001446696121 1074443301 /nfs/dbraw/zinc/44/33/01/1074443301.db2.gz ZYNOAXJXZXVIEA-INIZCTEOSA-N 1 0 441.550 -0.355 20 0 IBADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC001446696122 1074443487 /nfs/dbraw/zinc/44/34/87/1074443487.db2.gz ZYNOAXJXZXVIEA-MRXNPFEDSA-N 1 0 441.550 -0.355 20 0 IBADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)CC1 ZINC001447262679 1074444552 /nfs/dbraw/zinc/44/45/52/1074444552.db2.gz ZOHDZIAHDTYSDQ-UHFFFAOYSA-N 1 0 425.555 -0.128 20 0 IBADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)CCNC2=S)c1 ZINC001447521841 1074444689 /nfs/dbraw/zinc/44/46/89/1074444689.db2.gz VQRZDXFLZWTNSI-UHFFFAOYSA-N 1 0 427.552 -0.038 20 0 IBADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)CC1 ZINC001448128069 1074446458 /nfs/dbraw/zinc/44/64/58/1074446458.db2.gz TVWVBLHWYWXAIV-BBWFWOEESA-N 1 0 439.582 -0.173 20 0 IBADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)CC1 ZINC001448128072 1074446476 /nfs/dbraw/zinc/44/64/76/1074446476.db2.gz TVWVBLHWYWXAIV-IXDOHACOSA-N 1 0 439.582 -0.173 20 0 IBADRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)CC1 ZINC001448128214 1074446339 /nfs/dbraw/zinc/44/63/39/1074446339.db2.gz UZUMCIVGKADVRJ-OKILXGFUSA-N 1 0 427.527 -0.668 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CC(C)[NH+]1CCN(CCC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC001464103919 1074529865 /nfs/dbraw/zinc/52/98/65/1074529865.db2.gz ZNRKQEGDAFKJNX-UHFFFAOYSA-N 1 0 430.619 -0.961 20 0 IBADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)C2)CC1 ZINC001464108185 1074529893 /nfs/dbraw/zinc/52/98/93/1074529893.db2.gz DIDPAQQXLHKTDN-UHFFFAOYSA-N 1 0 428.580 -0.005 20 0 IBADRO Cn1ncc(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1I ZINC001464113894 1074529809 /nfs/dbraw/zinc/52/98/09/1074529809.db2.gz RSFHBIDMTSOMOB-UHFFFAOYSA-N 1 0 439.323 -0.107 20 0 IBADRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)C2)CC1 ZINC001464114873 1074529957 /nfs/dbraw/zinc/52/99/57/1074529957.db2.gz QBHSSWOORRXXKI-UHFFFAOYSA-N 1 0 428.580 -0.005 20 0 IBADRO Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccc(CN4CC[NH+](C)CC4)cc3)[C@@H](O)C(=O)N2C)cn1 ZINC001464159925 1074530605 /nfs/dbraw/zinc/53/06/05/1074530605.db2.gz OCJIQUILJAMZHX-NJDAHSKKSA-N 1 0 440.548 -0.026 20 0 IBADRO CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC001464218513 1074531839 /nfs/dbraw/zinc/53/18/39/1074531839.db2.gz WVBPCIXMFOCFLX-UHFFFAOYSA-N 1 0 428.559 -0.579 20 0 IBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC001464270827 1074532419 /nfs/dbraw/zinc/53/24/19/1074532419.db2.gz KZLTXDKXYHRUCX-KRWDZBQOSA-N 1 0 447.627 -0.055 20 0 IBADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC001464270874 1074532386 /nfs/dbraw/zinc/53/23/86/1074532386.db2.gz KZLTXDKXYHRUCX-QGZVFWFLSA-N 1 0 447.627 -0.055 20 0 IBADRO COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)c2cnc(C)c(C(=O)OC)c2)CC1=O ZINC001464285099 1074532810 /nfs/dbraw/zinc/53/28/10/1074532810.db2.gz IORJJQZGSXYBHA-AWEZNQCLSA-N 1 0 428.511 -0.366 20 0 IBADRO COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)c2cnc(C)c(C(=O)OC)c2)CC1=O ZINC001464285247 1074532673 /nfs/dbraw/zinc/53/26/73/1074532673.db2.gz IORJJQZGSXYBHA-CQSZACIVSA-N 1 0 428.511 -0.366 20 0 IBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001464364449 1074534519 /nfs/dbraw/zinc/53/45/19/1074534519.db2.gz LQGASDFNMCPSOH-MSOLQXFVSA-N 1 0 432.587 -0.108 20 0 IBADRO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001464364452 1074534427 /nfs/dbraw/zinc/53/44/27/1074534427.db2.gz LQGASDFNMCPSOH-QZTJIDSGSA-N 1 0 432.587 -0.108 20 0 IBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001464364454 1074534452 /nfs/dbraw/zinc/53/44/52/1074534452.db2.gz LQGASDFNMCPSOH-ROUUACIJSA-N 1 0 432.587 -0.108 20 0 IBADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001464364457 1074534504 /nfs/dbraw/zinc/53/45/04/1074534504.db2.gz LQGASDFNMCPSOH-ZWKOTPCHSA-N 1 0 432.587 -0.108 20 0 IBADRO CN(CCS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)S(=O)(=O)c1ccc(F)cc1 ZINC001464438679 1074535455 /nfs/dbraw/zinc/53/54/55/1074535455.db2.gz AXNXTHCEVXBTHD-JKSUJKDBSA-N 1 0 435.543 -0.083 20 0 IBADRO CCO[C@@H](CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C[NH+](C)C ZINC001464476365 1074536411 /nfs/dbraw/zinc/53/64/11/1074536411.db2.gz UYXQQIGIUNIEQN-KPZWWZAWSA-N 1 0 428.511 -0.005 20 0 IBADRO CCO[C@H](CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C[NH+](C)C ZINC001464476371 1074536320 /nfs/dbraw/zinc/53/63/20/1074536320.db2.gz UYXQQIGIUNIEQN-KZULUSFZSA-N 1 0 428.511 -0.005 20 0 IBADRO CCO[C@@H](CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C[NH+](C)C ZINC001464476376 1074536405 /nfs/dbraw/zinc/53/64/05/1074536405.db2.gz UYXQQIGIUNIEQN-SGTLLEGYSA-N 1 0 428.511 -0.005 20 0 IBADRO CCO[C@H](CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C[NH+](C)C ZINC001464476381 1074536415 /nfs/dbraw/zinc/53/64/15/1074536415.db2.gz UYXQQIGIUNIEQN-XIKOKIGWSA-N 1 0 428.511 -0.005 20 0 IBADRO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001464799281 1074540203 /nfs/dbraw/zinc/54/02/03/1074540203.db2.gz XGGKNEAHRDZTST-PBHICJAKSA-N 1 0 444.579 -0.458 20 0 IBADRO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001464799287 1074540108 /nfs/dbraw/zinc/54/01/08/1074540108.db2.gz XGGKNEAHRDZTST-RHSMWYFYSA-N 1 0 444.579 -0.458 20 0 IBADRO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001464799294 1074540735 /nfs/dbraw/zinc/54/07/35/1074540735.db2.gz XGGKNEAHRDZTST-WMLDXEAASA-N 1 0 444.579 -0.458 20 0 IBADRO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001464799299 1074540544 /nfs/dbraw/zinc/54/05/44/1074540544.db2.gz XGGKNEAHRDZTST-YOEHRIQHSA-N 1 0 444.579 -0.458 20 0 IBADRO NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001464813785 1074540607 /nfs/dbraw/zinc/54/06/07/1074540607.db2.gz RQGZDDSMKRVWSI-KRWDZBQOSA-N 1 0 433.484 -0.434 20 0 IBADRO NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001464813786 1074540559 /nfs/dbraw/zinc/54/05/59/1074540559.db2.gz RQGZDDSMKRVWSI-QGZVFWFLSA-N 1 0 433.484 -0.434 20 0 IBADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001464815238 1074540717 /nfs/dbraw/zinc/54/07/17/1074540717.db2.gz WMAPHHABTHNPPQ-INIZCTEOSA-N 1 0 438.550 -0.274 20 0 IBADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001464815242 1074540621 /nfs/dbraw/zinc/54/06/21/1074540621.db2.gz WMAPHHABTHNPPQ-MRXNPFEDSA-N 1 0 438.550 -0.274 20 0 IBADRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001464895770 1074542568 /nfs/dbraw/zinc/54/25/68/1074542568.db2.gz IENACNNMOWCHMS-UHFFFAOYSA-N 1 0 445.973 -0.139 20 0 IBADRO C[NH+](C)CCn1cc(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC001464898846 1074542527 /nfs/dbraw/zinc/54/25/27/1074542527.db2.gz CBGAWVONGCGFRZ-GOSISDBHSA-N 1 0 427.571 -0.204 20 0 IBADRO C[NH+](C)CCn1cc(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cn1 ZINC001464898848 1074542606 /nfs/dbraw/zinc/54/26/06/1074542606.db2.gz CBGAWVONGCGFRZ-SFHVURJKSA-N 1 0 427.571 -0.204 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 ZINC001464933831 1074543097 /nfs/dbraw/zinc/54/30/97/1074543097.db2.gz CZDGYLARKTXXAB-PBHICJAKSA-N 1 0 446.595 -0.212 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 ZINC001464934084 1074542926 /nfs/dbraw/zinc/54/29/26/1074542926.db2.gz CZDGYLARKTXXAB-RHSMWYFYSA-N 1 0 446.595 -0.212 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 ZINC001464934089 1074543004 /nfs/dbraw/zinc/54/30/04/1074543004.db2.gz CZDGYLARKTXXAB-WMLDXEAASA-N 1 0 446.595 -0.212 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 ZINC001464934094 1074543057 /nfs/dbraw/zinc/54/30/57/1074543057.db2.gz CZDGYLARKTXXAB-YOEHRIQHSA-N 1 0 446.595 -0.212 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001464934098 1074543593 /nfs/dbraw/zinc/54/35/93/1074543593.db2.gz CZIYYTONAGLART-GOSISDBHSA-N 1 0 449.527 -0.259 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001464934103 1074543645 /nfs/dbraw/zinc/54/36/45/1074543645.db2.gz CZIYYTONAGLART-SFHVURJKSA-N 1 0 449.527 -0.259 20 0 IBADRO C[N@H+](CCN1CCN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1)Cc1ccccc1 ZINC001464939816 1074543455 /nfs/dbraw/zinc/54/34/55/1074543455.db2.gz QTLABAOXZBBYRM-UHFFFAOYSA-N 1 0 442.520 -0.286 20 0 IBADRO NS(=O)(=O)c1ccc(NCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(F)c1 ZINC001465027668 1074544410 /nfs/dbraw/zinc/54/44/10/1074544410.db2.gz BLVMMDNYXRHDIC-AWEZNQCLSA-N 1 0 429.518 -0.592 20 0 IBADRO NS(=O)(=O)c1ccc(NCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(F)c1 ZINC001465027669 1074544343 /nfs/dbraw/zinc/54/43/43/1074544343.db2.gz BLVMMDNYXRHDIC-CQSZACIVSA-N 1 0 429.518 -0.592 20 0 IBADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001465219278 1074545316 /nfs/dbraw/zinc/54/53/16/1074545316.db2.gz PHWFINKVPTUUKX-WMLDXEAASA-N 1 0 428.497 -0.017 20 0 IBADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC001465219279 1074545288 /nfs/dbraw/zinc/54/52/88/1074545288.db2.gz PHWFINKVPTUUKX-YOEHRIQHSA-N 1 0 428.497 -0.017 20 0 IBADRO C[C@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC001465293960 1074545753 /nfs/dbraw/zinc/54/57/53/1074545753.db2.gz SORBLPBBMCJNAP-XHDPSFHLSA-N 1 0 431.946 -0.532 20 0 IBADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001465328732 1074546064 /nfs/dbraw/zinc/54/60/64/1074546064.db2.gz SZNTXIRHPQZBOI-HNNXBMFYSA-N 1 0 428.493 -0.235 20 0 IBADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001465328733 1074546049 /nfs/dbraw/zinc/54/60/49/1074546049.db2.gz SZNTXIRHPQZBOI-OAHLLOKOSA-N 1 0 428.493 -0.235 20 0 IBADRO C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001465352707 1074546078 /nfs/dbraw/zinc/54/60/78/1074546078.db2.gz VAZSLBRFTUAQMJ-HNNXBMFYSA-N 1 0 434.545 -0.641 20 0 IBADRO O=C(CN1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001465380720 1074547128 /nfs/dbraw/zinc/54/71/28/1074547128.db2.gz BABJLGAKNHOMCK-INIZCTEOSA-N 1 0 438.550 -0.064 20 0 IBADRO O=C(CN1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001465380721 1074547038 /nfs/dbraw/zinc/54/70/38/1074547038.db2.gz BABJLGAKNHOMCK-MRXNPFEDSA-N 1 0 438.550 -0.064 20 0 IBADRO C[NH+]1CCC(O)(CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC001465429783 1074547801 /nfs/dbraw/zinc/54/78/01/1074547801.db2.gz FSVKVPQWVNHSFS-INIZCTEOSA-N 1 0 447.579 -0.659 20 0 IBADRO C[NH+]1CCC(O)(CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC001465429784 1074548346 /nfs/dbraw/zinc/54/83/46/1074548346.db2.gz FSVKVPQWVNHSFS-MRXNPFEDSA-N 1 0 447.579 -0.659 20 0 IBADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC001465491715 1074548835 /nfs/dbraw/zinc/54/88/35/1074548835.db2.gz CXNDNDBCYVPUJZ-HNNXBMFYSA-N 1 0 440.566 -0.124 20 0 IBADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC001465491717 1074548786 /nfs/dbraw/zinc/54/87/86/1074548786.db2.gz CXNDNDBCYVPUJZ-OAHLLOKOSA-N 1 0 440.566 -0.124 20 0 IBADRO COCCn1cc(N2C[C@@H](C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)CC2=O)cn1 ZINC001465492378 1074548824 /nfs/dbraw/zinc/54/88/24/1074548824.db2.gz WCAHYHRBBVOWPP-KRWDZBQOSA-N 1 0 434.541 -0.201 20 0 IBADRO COCCn1cc(N2C[C@H](C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)CC2=O)cn1 ZINC001465492379 1074548810 /nfs/dbraw/zinc/54/88/10/1074548810.db2.gz WCAHYHRBBVOWPP-QGZVFWFLSA-N 1 0 434.541 -0.201 20 0 IBADRO CN(C)S(=O)(=O)NCC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001465495652 1074548881 /nfs/dbraw/zinc/54/88/81/1074548881.db2.gz HOHOKZYGNMWGIT-UHFFFAOYSA-N 1 0 439.582 -0.131 20 0 IBADRO C[N@H+](CCNC(=O)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1)Cc1ccccc1 ZINC001465495875 1074548860 /nfs/dbraw/zinc/54/88/60/1074548860.db2.gz UERJHEDGTPNINC-UHFFFAOYSA-N 1 0 427.509 -0.136 20 0 IBADRO COC1CC[NH+](CCNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001465577475 1074548793 /nfs/dbraw/zinc/54/87/93/1074548793.db2.gz GYNATXASUUGELE-UHFFFAOYSA-N 1 0 433.552 -0.405 20 0 IBADRO COC1CC[NH+](CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001465577807 1074548743 /nfs/dbraw/zinc/54/87/43/1074548743.db2.gz SQKALZFFMWVYMV-UHFFFAOYSA-N 1 0 432.930 -0.056 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001466082771 1074550848 /nfs/dbraw/zinc/55/08/48/1074550848.db2.gz PBGIRIRUFSZQCN-DLBZAZTESA-N 1 0 431.603 -0.695 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001466082772 1074550729 /nfs/dbraw/zinc/55/07/29/1074550729.db2.gz PBGIRIRUFSZQCN-IAGOWNOFSA-N 1 0 431.603 -0.695 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001466082773 1074550831 /nfs/dbraw/zinc/55/08/31/1074550831.db2.gz PBGIRIRUFSZQCN-IRXDYDNUSA-N 1 0 431.603 -0.695 20 0 IBADRO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001466082774 1074550857 /nfs/dbraw/zinc/55/08/57/1074550857.db2.gz PBGIRIRUFSZQCN-SJORKVTESA-N 1 0 431.603 -0.695 20 0 IBADRO CC[NH+](CC)CCN(C(=O)CNS(=O)(=O)c1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC001466157016 1074551324 /nfs/dbraw/zinc/55/13/24/1074551324.db2.gz HZGWMOATFVREQP-HNNXBMFYSA-N 1 0 432.568 -0.283 20 0 IBADRO CC[NH+](CC)CCN(C(=O)CNS(=O)(=O)c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC001466157017 1074551269 /nfs/dbraw/zinc/55/12/69/1074551269.db2.gz HZGWMOATFVREQP-OAHLLOKOSA-N 1 0 432.568 -0.283 20 0 IBADRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H]3[C@@H](O)C(=O)N(C)[C@@H]3c3cnn(C)c3)CC2)CC1 ZINC001466192270 1074551727 /nfs/dbraw/zinc/55/17/27/1074551727.db2.gz LMRJFFYBUWWRSA-VAMGGRTRSA-N 1 0 432.569 -0.073 20 0 IBADRO CNS(=O)(=O)c1ccc(NC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)nc1 ZINC001466295767 1074551668 /nfs/dbraw/zinc/55/16/68/1074551668.db2.gz DZAOFCLRKPIEES-UHFFFAOYSA-N 1 0 426.543 -0.092 20 0 IBADRO 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CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001501793967 1074682949 /nfs/dbraw/zinc/68/29/49/1074682949.db2.gz LUEVDCQJNUFOCU-HOTGVXAUSA-N 1 0 446.556 -0.609 20 0 IBADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001501793968 1074682827 /nfs/dbraw/zinc/68/28/27/1074682827.db2.gz LUEVDCQJNUFOCU-HZPDHXFCSA-N 1 0 446.556 -0.609 20 0 IBADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001501793969 1074682893 /nfs/dbraw/zinc/68/28/93/1074682893.db2.gz LUEVDCQJNUFOCU-JKSUJKDBSA-N 1 0 446.556 -0.609 20 0 IBADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001501802531 1074682770 /nfs/dbraw/zinc/68/27/70/1074682770.db2.gz TYLZXTGRKFDGTR-CABCVRRESA-N 1 0 443.574 -0.723 20 0 IBADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001501802532 1074683337 /nfs/dbraw/zinc/68/33/37/1074683337.db2.gz TYLZXTGRKFDGTR-GJZGRUSLSA-N 1 0 443.574 -0.723 20 0 IBADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001501802533 1074683302 /nfs/dbraw/zinc/68/33/02/1074683302.db2.gz TYLZXTGRKFDGTR-HUUCEWRRSA-N 1 0 443.574 -0.723 20 0 IBADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001501802534 1074683392 /nfs/dbraw/zinc/68/33/92/1074683392.db2.gz TYLZXTGRKFDGTR-LSDHHAIUSA-N 1 0 443.574 -0.723 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501898785 1074683395 /nfs/dbraw/zinc/68/33/95/1074683395.db2.gz DMFGTBGONLSXLC-MRXNPFEDSA-N 1 0 448.572 -0.315 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nncn2C)CC1 ZINC001501900010 1074683326 /nfs/dbraw/zinc/68/33/26/1074683326.db2.gz VOPWGLWHNDVHRJ-UHFFFAOYSA-N 1 0 446.560 -0.417 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NC)CC1 ZINC001501903592 1074683377 /nfs/dbraw/zinc/68/33/77/1074683377.db2.gz BSAMWDQYDAMRDI-UHFFFAOYSA-N 1 0 429.529 -0.138 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2nncn2C)CC1 ZINC001501906841 1074683356 /nfs/dbraw/zinc/68/33/56/1074683356.db2.gz OYCPDSBDCBMBOI-INIZCTEOSA-N 1 0 431.545 -0.051 20 0 IBADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nncn2C)CC1 ZINC001501906842 1074683406 /nfs/dbraw/zinc/68/34/06/1074683406.db2.gz OYCPDSBDCBMBOI-MRXNPFEDSA-N 1 0 431.545 -0.051 20 0 IBADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C1 ZINC001501931289 1074683323 /nfs/dbraw/zinc/68/33/23/1074683323.db2.gz HURIGQCYFMVHEA-CABCVRRESA-N 1 0 427.575 -0.054 20 0 IBADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C1 ZINC001501931290 1074683369 /nfs/dbraw/zinc/68/33/69/1074683369.db2.gz HURIGQCYFMVHEA-GJZGRUSLSA-N 1 0 427.575 -0.054 20 0 IBADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C1 ZINC001501931291 1074683305 /nfs/dbraw/zinc/68/33/05/1074683305.db2.gz HURIGQCYFMVHEA-HUUCEWRRSA-N 1 0 427.575 -0.054 20 0 IBADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C1 ZINC001501931292 1074683415 /nfs/dbraw/zinc/68/34/15/1074683415.db2.gz HURIGQCYFMVHEA-LSDHHAIUSA-N 1 0 427.575 -0.054 20 0 IBADRO CC[NH+](CC)CCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001501941268 1074683412 /nfs/dbraw/zinc/68/34/12/1074683412.db2.gz HJGLDGHBKKFNRL-HNNXBMFYSA-N 1 0 434.545 -0.705 20 0 IBADRO CC[NH+](CC)CCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001501941269 1074683351 /nfs/dbraw/zinc/68/33/51/1074683351.db2.gz HJGLDGHBKKFNRL-OAHLLOKOSA-N 1 0 434.545 -0.705 20 0 IBADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001501956229 1074683341 /nfs/dbraw/zinc/68/33/41/1074683341.db2.gz ZTYXVHIVOMZCHT-CVEARBPZSA-N 1 0 442.586 -0.137 20 0 IBADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001501956233 1074683365 /nfs/dbraw/zinc/68/33/65/1074683365.db2.gz ZTYXVHIVOMZCHT-HOTGVXAUSA-N 1 0 442.586 -0.137 20 0 IBADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001501956236 1074684044 /nfs/dbraw/zinc/68/40/44/1074684044.db2.gz ZTYXVHIVOMZCHT-HZPDHXFCSA-N 1 0 442.586 -0.137 20 0 IBADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001501956237 1074684042 /nfs/dbraw/zinc/68/40/42/1074684042.db2.gz ZTYXVHIVOMZCHT-JKSUJKDBSA-N 1 0 442.586 -0.137 20 0 IBADRO CCN(CC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001502088974 1074683994 /nfs/dbraw/zinc/68/39/94/1074683994.db2.gz LGXGZPNBLUQXON-APWZRJJASA-N 1 0 442.586 -0.086 20 0 IBADRO CCN(CC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001502088975 1074684035 /nfs/dbraw/zinc/68/40/35/1074684035.db2.gz LGXGZPNBLUQXON-LPHOPBHVSA-N 1 0 442.586 -0.086 20 0 IBADRO CCN(CC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001502088976 1074684025 /nfs/dbraw/zinc/68/40/25/1074684025.db2.gz LGXGZPNBLUQXON-QFBILLFUSA-N 1 0 442.586 -0.086 20 0 IBADRO CCN(CC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001502088977 1074684018 /nfs/dbraw/zinc/68/40/18/1074684018.db2.gz LGXGZPNBLUQXON-VQIMIIECSA-N 1 0 442.586 -0.086 20 0 IBADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1)C1CC1 ZINC001502186850 1074684000 /nfs/dbraw/zinc/68/40/00/1074684000.db2.gz SUHXSHYCUGQFLI-CYBMUJFWSA-N 1 0 434.588 -0.393 20 0 IBADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1)C1CC1 ZINC001502186851 1074683964 /nfs/dbraw/zinc/68/39/64/1074683964.db2.gz SUHXSHYCUGQFLI-ZDUSSCGKSA-N 1 0 434.588 -0.393 20 0 IBADRO CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C(C)C ZINC001502199305 1074684452 /nfs/dbraw/zinc/68/44/52/1074684452.db2.gz ILAWFNCOBCGMOZ-HNNXBMFYSA-N 1 0 443.574 -0.723 20 0 IBADRO CC[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1)C(C)C ZINC001502199306 1074684519 /nfs/dbraw/zinc/68/45/19/1074684519.db2.gz ILAWFNCOBCGMOZ-OAHLLOKOSA-N 1 0 443.574 -0.723 20 0 IBADRO CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1)C1CC1 ZINC001502199382 1074684417 /nfs/dbraw/zinc/68/44/17/1074684417.db2.gz KAWJIQDJVXHBLV-INIZCTEOSA-N 1 0 428.559 -0.068 20 0 IBADRO CC[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1)C1CC1 ZINC001502199383 1074684506 /nfs/dbraw/zinc/68/45/06/1074684506.db2.gz KAWJIQDJVXHBLV-MRXNPFEDSA-N 1 0 428.559 -0.068 20 0 IBADRO CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)CC1 ZINC001502266335 1074686314 /nfs/dbraw/zinc/68/63/14/1074686314.db2.gz NHJKPHKSKDTKDJ-AWEZNQCLSA-N 1 0 427.575 -0.054 20 0 IBADRO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)C2)CC1 ZINC001502266336 1074686361 /nfs/dbraw/zinc/68/63/61/1074686361.db2.gz NHJKPHKSKDTKDJ-CQSZACIVSA-N 1 0 427.575 -0.054 20 0 IBADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001502270889 1074686430 /nfs/dbraw/zinc/68/64/30/1074686430.db2.gz VFDIJHGSRABWDZ-GDBMZVCRSA-N 1 0 427.575 -0.101 20 0 IBADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001502270890 1074686348 /nfs/dbraw/zinc/68/63/48/1074686348.db2.gz VFDIJHGSRABWDZ-GOEBONIOSA-N 1 0 427.575 -0.101 20 0 IBADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001502270891 1074686333 /nfs/dbraw/zinc/68/63/33/1074686333.db2.gz VFDIJHGSRABWDZ-HOCLYGCPSA-N 1 0 427.575 -0.101 20 0 IBADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001502270892 1074686438 /nfs/dbraw/zinc/68/64/38/1074686438.db2.gz VFDIJHGSRABWDZ-ZBFHGGJFSA-N 1 0 427.575 -0.101 20 0 IBADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001502271074 1074686376 /nfs/dbraw/zinc/68/63/76/1074686376.db2.gz YQVAKNRDMCXXHT-ILXRZTDVSA-N 1 0 448.615 -0.147 20 0 IBADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001502271075 1074686385 /nfs/dbraw/zinc/68/63/85/1074686385.db2.gz YQVAKNRDMCXXHT-KKUMJFAQSA-N 1 0 448.615 -0.147 20 0 IBADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001502271076 1074686305 /nfs/dbraw/zinc/68/63/05/1074686305.db2.gz YQVAKNRDMCXXHT-QLFBSQMISA-N 1 0 448.615 -0.147 20 0 IBADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001502271077 1074686353 /nfs/dbraw/zinc/68/63/53/1074686353.db2.gz YQVAKNRDMCXXHT-SOUVJXGZSA-N 1 0 448.615 -0.147 20 0 IBADRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O ZINC001502280796 1074686365 /nfs/dbraw/zinc/68/63/65/1074686365.db2.gz XAVRGVAMFXIOLA-HNNXBMFYSA-N 1 0 427.575 -0.016 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O ZINC001502280797 1074686322 /nfs/dbraw/zinc/68/63/22/1074686322.db2.gz XAVRGVAMFXIOLA-OAHLLOKOSA-N 1 0 427.575 -0.016 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001502288538 1074686288 /nfs/dbraw/zinc/68/62/88/1074686288.db2.gz YIUKBVPRXVCQCW-ARFHVFGLSA-N 1 0 440.570 -0.384 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001502288539 1074686419 /nfs/dbraw/zinc/68/64/19/1074686419.db2.gz YIUKBVPRXVCQCW-BZUAXINKSA-N 1 0 440.570 -0.384 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502288540 1074686341 /nfs/dbraw/zinc/68/63/41/1074686341.db2.gz YIUKBVPRXVCQCW-OAGGEKHMSA-N 1 0 440.570 -0.384 20 0 IBADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502288541 1074686411 /nfs/dbraw/zinc/68/64/11/1074686411.db2.gz YIUKBVPRXVCQCW-XHSDSOJGSA-N 1 0 440.570 -0.384 20 0 IBADRO CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1=O ZINC001502301365 1074686886 /nfs/dbraw/zinc/68/68/86/1074686886.db2.gz FCZVNMRNVJIOFZ-KBXCAEBGSA-N 1 0 443.574 -0.987 20 0 IBADRO CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1=O ZINC001502301366 1074686825 /nfs/dbraw/zinc/68/68/25/1074686825.db2.gz FCZVNMRNVJIOFZ-KDOFPFPSSA-N 1 0 443.574 -0.987 20 0 IBADRO CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1=O ZINC001502301367 1074686928 /nfs/dbraw/zinc/68/69/28/1074686928.db2.gz FCZVNMRNVJIOFZ-KSSFIOAISA-N 1 0 443.574 -0.987 20 0 IBADRO CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1=O ZINC001502301368 1074686871 /nfs/dbraw/zinc/68/68/71/1074686871.db2.gz FCZVNMRNVJIOFZ-RDTXWAMCSA-N 1 0 443.574 -0.987 20 0 IBADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502310364 1074687310 /nfs/dbraw/zinc/68/73/10/1074687310.db2.gz YCVZGOOZWJWNJC-KRWDZBQOSA-N 1 0 432.573 -0.134 20 0 IBADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502310365 1074687371 /nfs/dbraw/zinc/68/73/71/1074687371.db2.gz YCVZGOOZWJWNJC-QGZVFWFLSA-N 1 0 432.573 -0.134 20 0 IBADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502312253 1074687345 /nfs/dbraw/zinc/68/73/45/1074687345.db2.gz IYNBQSDYLUPFSU-CVEARBPZSA-N 1 0 439.586 -0.510 20 0 IBADRO 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CCS(=O)(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001503283702 1074703850 /nfs/dbraw/zinc/70/38/50/1074703850.db2.gz BJTVJIDZJUSSNA-JKSUJKDBSA-N 1 0 430.575 -0.122 20 0 IBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)C1 ZINC001503361630 1074705129 /nfs/dbraw/zinc/70/51/29/1074705129.db2.gz XRUHKIXZOIFWIW-KRWDZBQOSA-N 1 0 441.540 -0.044 20 0 IBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)C1 ZINC001503361661 1074705193 /nfs/dbraw/zinc/70/51/93/1074705193.db2.gz XRUHKIXZOIFWIW-QGZVFWFLSA-N 1 0 441.540 -0.044 20 0 IBADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1 ZINC001503361810 1074705240 /nfs/dbraw/zinc/70/52/40/1074705240.db2.gz ZEIQEEJSICUQGW-INIZCTEOSA-N 1 0 446.556 -0.607 20 0 IBADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1 ZINC001503361880 1074705275 /nfs/dbraw/zinc/70/52/75/1074705275.db2.gz ZEIQEEJSICUQGW-MRXNPFEDSA-N 1 0 446.556 -0.607 20 0 IBADRO CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503369292 1074705751 /nfs/dbraw/zinc/70/57/51/1074705751.db2.gz VSLQRDOEGQODKR-INIZCTEOSA-N 1 0 446.556 -0.548 20 0 IBADRO CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503369293 1074705480 /nfs/dbraw/zinc/70/54/80/1074705480.db2.gz VSLQRDOEGQODKR-MRXNPFEDSA-N 1 0 446.556 -0.548 20 0 IBADRO CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503369596 1074705613 /nfs/dbraw/zinc/70/56/13/1074705613.db2.gz DYYRGHHEPHYTHJ-KRWDZBQOSA-N 1 0 441.540 -0.044 20 0 IBADRO CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503369597 1074705448 /nfs/dbraw/zinc/70/54/48/1074705448.db2.gz DYYRGHHEPHYTHJ-QGZVFWFLSA-N 1 0 441.540 -0.044 20 0 IBADRO CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503369599 1074705650 /nfs/dbraw/zinc/70/56/50/1074705650.db2.gz FCGBCEUFGJFIDW-UHFFFAOYSA-N 1 0 443.556 -0.099 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCCCC2)CC1 ZINC001503377053 1074706974 /nfs/dbraw/zinc/70/69/74/1074706974.db2.gz XIUMTDXIOOXTQN-KRWDZBQOSA-N 1 0 432.573 -0.075 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCCCC2)CC1 ZINC001503377054 1074706996 /nfs/dbraw/zinc/70/69/96/1074706996.db2.gz XIUMTDXIOOXTQN-QGZVFWFLSA-N 1 0 432.573 -0.075 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCSCC2)CC1 ZINC001503377196 1074706928 /nfs/dbraw/zinc/70/69/28/1074706928.db2.gz YSHUCQKZXBBBOA-UHFFFAOYSA-N 1 0 445.597 -0.006 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001503377581 1074707103 /nfs/dbraw/zinc/70/71/03/1074707103.db2.gz WTAFDJOCPXBGKG-UHFFFAOYSA-N 1 0 444.584 -0.014 20 0 IBADRO C[NH+](C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)CCSC1 ZINC001503388224 1074707022 /nfs/dbraw/zinc/70/70/22/1074707022.db2.gz WGHGNBLQQZDPCL-DEYYWGMASA-N 1 0 442.611 -0.071 20 0 IBADRO C[NH+](C)[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)CCSC1 ZINC001503388226 1074706957 /nfs/dbraw/zinc/70/69/57/1074706957.db2.gz WGHGNBLQQZDPCL-GLJUWKHASA-N 1 0 442.611 -0.071 20 0 IBADRO C[NH+](C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(N)=O)C2)CCSC1 ZINC001503388228 1074707086 /nfs/dbraw/zinc/70/70/86/1074707086.db2.gz WGHGNBLQQZDPCL-IYOUNJFTSA-N 1 0 442.611 -0.071 20 0 IBADRO C[NH+](C)[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(N)=O)C2)CCSC1 ZINC001503388230 1074707450 /nfs/dbraw/zinc/70/74/50/1074707450.db2.gz WGHGNBLQQZDPCL-LBTNJELSSA-N 1 0 442.611 -0.071 20 0 IBADRO C[NH+](C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)CCC1 ZINC001503389883 1074707404 /nfs/dbraw/zinc/70/74/04/1074707404.db2.gz RPWDVKOJCDJEPM-UHFFFAOYSA-N 1 0 439.586 -0.034 20 0 IBADRO Cn1nc2c(cc1=O)CN(c1nnc(C(=O)N3CCCC3)n1CCOCC[NH+](C)C)CC2 ZINC001503402069 1074707274 /nfs/dbraw/zinc/70/72/74/1074707274.db2.gz IUOPHISOWYCPLV-UHFFFAOYSA-N 1 0 444.540 -0.251 20 0 IBADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001503402161 1074707353 /nfs/dbraw/zinc/70/73/53/1074707353.db2.gz ASRWHVNGAMHUGC-UHFFFAOYSA-N 1 0 442.586 -0.008 20 0 IBADRO C[NH+](C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001503402241 1074707247 /nfs/dbraw/zinc/70/72/47/1074707247.db2.gz DSWJSXVNNLCHSG-UHFFFAOYSA-N 1 0 448.572 -0.027 20 0 IBADRO C[NH+](C)CCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 ZINC001503404082 1074707415 /nfs/dbraw/zinc/70/74/15/1074707415.db2.gz DLBPWBHQHKAFDR-UHFFFAOYSA-N 1 0 443.556 -0.034 20 0 IBADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001503404271 1074707286 /nfs/dbraw/zinc/70/72/86/1074707286.db2.gz IDLUTSPHGKMQQO-HNNXBMFYSA-N 1 0 443.574 -0.721 20 0 IBADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001503404272 1074707475 /nfs/dbraw/zinc/70/74/75/1074707475.db2.gz IDLUTSPHGKMQQO-OAHLLOKOSA-N 1 0 443.574 -0.721 20 0 IBADRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnccn2)CC1 ZINC001503404558 1074707343 /nfs/dbraw/zinc/70/73/43/1074707343.db2.gz NFOBTTKSSOMYDV-INIZCTEOSA-N 1 0 429.529 -0.076 20 0 IBADRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnccn2)CC1 ZINC001503404560 1074707363 /nfs/dbraw/zinc/70/73/63/1074707363.db2.gz NFOBTTKSSOMYDV-MRXNPFEDSA-N 1 0 429.529 -0.076 20 0 IBADRO C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001503404793 1074707385 /nfs/dbraw/zinc/70/73/85/1074707385.db2.gz OWQVFBUKAXWCBO-HNNXBMFYSA-N 1 0 430.575 -0.122 20 0 IBADRO C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001503404796 1074707332 /nfs/dbraw/zinc/70/73/32/1074707332.db2.gz OWQVFBUKAXWCBO-OAHLLOKOSA-N 1 0 430.575 -0.122 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCC[NH+](C)C)CC1 ZINC001503404918 1074707263 /nfs/dbraw/zinc/70/72/63/1074707263.db2.gz QCGQJPIAQWIURQ-GOSISDBHSA-N 1 0 437.589 -0.040 20 0 IBADRO CN(C)C(=O)CN1CCN(c2nnc([C@H]3CCCOC3)n2CCOCC[NH+](C)C)CC1 ZINC001503404919 1074707375 /nfs/dbraw/zinc/70/73/75/1074707375.db2.gz QCGQJPIAQWIURQ-SFHVURJKSA-N 1 0 437.589 -0.040 20 0 IBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 ZINC001503405081 1074707467 /nfs/dbraw/zinc/70/74/67/1074707467.db2.gz RURVOBWDWCPWOX-INIZCTEOSA-N 1 0 442.586 -0.150 20 0 IBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 ZINC001503405083 1074707440 /nfs/dbraw/zinc/70/74/40/1074707440.db2.gz RURVOBWDWCPWOX-MRXNPFEDSA-N 1 0 442.586 -0.150 20 0 IBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001503405365 1074707733 /nfs/dbraw/zinc/70/77/33/1074707733.db2.gz VFSKPXWFUNZVGD-CABCVRRESA-N 1 0 428.559 -0.540 20 0 IBADRO C[NH+](C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001503405373 1074707856 /nfs/dbraw/zinc/70/78/56/1074707856.db2.gz VFSKPXWFUNZVGD-GJZGRUSLSA-N 1 0 428.559 -0.540 20 0 IBADRO C[NH+](C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001503405374 1074707696 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